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COOLFluiD Framework
                                   Aerothermodynamics
                                           Conclusions




        An Object Oriented and High Performance
       Platform for Aerothermodynamics Simulation

                                Candidate: Andrea Lani
                            Promoter: Prof. Herman Deconinck




          PhD presentation @ULB, 4th December 2008
Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework
                                     Aerothermodynamics
                                             Conclusions



Presentation Overview

                            COOLFluiD Framework
                               Introduction
                                    Object Oriented Design
                                    High Performance Techniques

                            Aerothermodynamics
                                    Physical Modeling
                                    Numerical Methods
                                    Numerical Results

                            Conclusions
                               COOLFluiD Gallery
                                    Conclusion and Future Work

  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                            Object Oriented Design
                                     Aerothermodynamics
                                                            High Performance Techniques
                                             Conclusions
                                                            Validation of the COOLFluiD Framework


Outline

  1   COOLFluiD Framework
       Introduction
       Object Oriented Design
       High Performance Techniques
       Validation of the COOLFluiD Framework

  2   Aerothermodynamics
        Physical Modeling
        Numerical Methods
        Numerical Results

  3   Conclusions
        Conclusions



  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                            Object Oriented Design
                                     Aerothermodynamics
                                                            High Performance Techniques
                                             Conclusions
                                                            Validation of the COOLFluiD Framework


COOLFluiD Platform

     Co-developed together with T. Quintino, T. Wuilbaut and D. Kimpe




  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                            Object Oriented Design
                                     Aerothermodynamics
                                                            High Performance Techniques
                                             Conclusions
                                                            Validation of the COOLFluiD Framework


Component-based Software Architecture

          Plug-in policy for a modular integration of new developments




  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                                Object Oriented Design
                                     Aerothermodynamics
                                                                High Performance Techniques
                                             Conclusions
                                                                Validation of the COOLFluiD Framework


What is a COOLFluiD Simulation?

                 From user-defined inputs to engineering solutions



                                                         Physics

                                          COOLFluiD
                                                         Numerics



                                                         Mesh Data




                Input Mesh                            CFD Simulation                Flowfield


  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck       An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                  COOLFluiD Framework
                                                          Object Oriented Design
                                   Aerothermodynamics
                                                          High Performance Techniques
                                           Conclusions
                                                          Validation of the COOLFluiD Framework




                            Object Oriented Design




Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                                 Object Oriented Design
                                     Aerothermodynamics
                                                                 High Performance Techniques
                                             Conclusions
                                                                 Validation of the COOLFluiD Framework


MeshData: Topological Region Sets (TRS)
            The domain is subdivided in topologically different regions

                                                            GEOMETRIC
                 Mesh Data                             ENTITY BUILDER


                                                                                              SHAPE
                                                                                CELL
                                                                                             FUNCTION

                        TRS                TR               GEOMETRIC
                                                              ENTITY

                                                                                 FACE         SHAPE
                                                                                             FUNCTION



                                                       NODE        STATE


                 Boundary TRSs                                   Inner TRS




  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck        An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                                 Object Oriented Design
                                     Aerothermodynamics
                                                                 High Performance Techniques
                                             Conclusions
                                                                 Validation of the COOLFluiD Framework


MeshData: Geometric Entities (GE)
  GE’s are algorithm-dependent agglomerations of degrees of freedom

                                                            GEOMETRIC
                 Mesh Data                             ENTITY BUILDER


                                                                                               SHAPE
                                                                                CELL
                                                                                              FUNCTION

                        TRS                TR               GEOMETRIC
                                                              ENTITY

                                                                                 FACE         SHAPE
                                                                                             FUNCTION



                                                       NODE        STATE




  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck        An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                                   Object Oriented Design
                                     Aerothermodynamics
                                                                   High Performance Techniques
                                             Conclusions
                                                                   Validation of the COOLFluiD Framework


MeshData: Data Storage

          Facade managing serial/distributed data creation and access

                                                              GEOMETRIC
                   Mesh Data                                ENTITY BUILDER

                                                                                                   SHAPE
                                                                                     CELL
                                                                                                  FUNCTION

                           TRS                 TR            GEOMETRIC
                                                               ENTITY
                                                                                                   SHAPE
                                                                                     FACE         FUNCTION

                 DATA STORAGE

                                                            NODE       STATE

                        quot;nodesquot;        NODE


                        quot;statesquot;       STATE


                       quot;normalsquot;      NORMAL

                           ...           ...




  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck          An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                                  Object Oriented Design
                                     Aerothermodynamics
                                                                  High Performance Techniques
                                             Conclusions
                                                                  Validation of the COOLFluiD Framework


Physics: Perspective pattern

              Multiple interfaces offering multiple views of the physics

                                                        CONVECTIVE       DIFFUSIVE      REACTIVE
                   PHYSICAL
                                                            VARSET        VARSET         VARSET
                    MODEL



                                                             Concrete     Concrete      Concrete
                                       Concrete
                                                            Convective    Diffusive     Reaction
                                      Convective
                                                              VarSet       VarSet        VarSet
                                        Term

                 CONVECTION            Concrete
                  DIFFUSION            Diffusive
                                         Term
                  REACTION
                                       Concrete
                                       Reaction
                                        Term




                    Concrete
                    Physical
                     Model



  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck         An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                             Object Oriented Design
                                     Aerothermodynamics
                                                             High Performance Techniques
                                             Conclusions
                                                             Validation of the COOLFluiD Framework


Numerics: Method Command Strategy (MCS) pattern

          Flexible and uniform way to implement numerical algorithms

                    BaseMethod

                  action1()
                  action2()                          ConcreteMethodData
                                                    getStrategyA()
                                                    getStrategyB()
                  ConcreteMethod                    getStrategyC()

                  action1()            ...
                                       Action1−>execute()                                 Concrete
                                       ...                           StrategyA
                  action2()                                                               StrategyA

                                                                     StrategyB            Concrete
                        Command                                                           StrategyB
                                               Action1

                        execute()             execute()                                   Concrete
                                                                     StrategyC
                                                                                          StrategyC
                         Command               Action2

                        execute()             execute()


  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck    An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                              Object Oriented Design
                                     Aerothermodynamics
                                                              High Performance Techniques
                                             Conclusions
                                                              Validation of the COOLFluiD Framework


Example: MCS combined with Perspective pattern

          Flexible and uniform way to implement numerical algorithms

                 SpaceMethod
                                                                                    Physical Model
                applyBC()
                computeRHS()                       FVM_MethodData
                                                 getVarSet()
                                                                                       Concrete
                                                 getExtrapolator()
                                                                                     Physical Model
                FVM_Method
                                                 getFluxSplitter()

                applyBC()           ...
                                    WallBC−>execute()                                   Concrete
                                    ...                              VarSet
                computeRHS()                                                             VarSet

                                                                     Extrapol           Concrete
                      Command                                                           Extrapol
                                            WallBC

                     execute()             execute()                                    Concrete
                                                                     FluxSplit
                                                                                        FluxSplit
                      Command            ComputeRHS

                     execute()             execute()


  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck     An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                  COOLFluiD Framework
                                                          Object Oriented Design
                                   Aerothermodynamics
                                                          High Performance Techniques
                                           Conclusions
                                                          Validation of the COOLFluiD Framework




                    High Performance Techniques




Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                      COOLFluiD Framework
                                                               Object Oriented Design
                                       Aerothermodynamics
                                                               High Performance Techniques
                                               Conclusions
                                                               Validation of the COOLFluiD Framework


High Performance Computing

    The growing complexity of scientific simulations requires parallelization




Remote access from workstations to                            Modern HPC clusters include 1000’s
multi-processor supercomputers                                CPUs (SGI ICE Altix in photo)
    Candidate: Andrea Lani Promoter: Prof. Herman Deconinck    An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                      COOLFluiD Framework
                                                              Object Oriented Design
                                       Aerothermodynamics
                                                              High Performance Techniques
                                               Conclusions
                                                              Validation of the COOLFluiD Framework


Parallel Functionalities

                                                               Parallel IO: reading and writing

                                                               User and developer-friendly layer
                                                               (numerics independent!)


                                                               Scalability up to 1024 CPUs




Parallel mesh partitioning with ParMetis

Robust algorithm for arbitrarily complex
unstructured (hybrid) meshes
    Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                      COOLFluiD Framework
                                                              Object Oriented Design
                                       Aerothermodynamics
                                                              High Performance Techniques
                                               Conclusions
                                                              Validation of the COOLFluiD Framework


N-layer Overlap Region

   N-layer overlap region for tunable inter-process data exchange




Schematic of overlap region                                   Example of 1- and 2-layer overlap
    Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                            Object Oriented Design
                                     Aerothermodynamics
                                                            High Performance Techniques
                                             Conclusions
                                                            Validation of the COOLFluiD Framework


Parallel speedup and efficiency




  Cylinder mesh (3,426,300 hexa’s)                                 Cylinder mesh (20,557,753 tetra’s)
   FV on SGI Altix ICE and ICE+                                           RD on SGI Altix ICE


  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                  COOLFluiD Framework
                                                          Object Oriented Design
                                   Aerothermodynamics
                                                          High Performance Techniques
                                           Conclusions
                                                          Validation of the COOLFluiD Framework




      Validation of the COOLFluiD Framework




Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
Introduction
                                    COOLFluiD Framework
                                                            Object Oriented Design
                                     Aerothermodynamics
                                                            High Performance Techniques
                                             Conclusions
                                                            Validation of the COOLFluiD Framework


Gallery of COOLFluiD results

         An overview of some CF applications partially reusing our work




  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



Outline

  1   COOLFluiD Framework
       Introduction
       Object Oriented Design
       High Performance Techniques
       Validation of the COOLFluiD Framework

  2   Aerothermodynamics
        Physical Modeling
        Numerical Methods
        Numerical Results

  3   Conclusions
        Conclusions



  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                   Aerothermodynamics     Numerical Methods
                                           Conclusions    Numerical Results




                                   Physical Modeling




Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework         Physical Modeling
                                       Aerothermodynamics         Numerical Methods
                                               Conclusions        Numerical Results



What is Aerothermodynamics?

                                                         Thermo-chemical regimes (Da = τf /τc )
                                                              1   Frozen flows                                (Da ≈ 0)
                                                              2   Equilibrium flows                           (Da                1)
                                                              3   Nonequilibrium flows (Da ≈ 1)

                                                                              Rotation
                                                                                                     Translation




                                                                                         Vibration


Truly multi-physical science                                                                                       Electronic



    gasdynamics
                                                         Different systems of PDE’s
    statistical thermodynamics
                                                                  Non-reacting Navier-Stokes
    chemical kinetics
                                                                  LTE-FEF or LTE-VEF
    quantum mechanics
                                                                  TCNEQ (multi-temperature)

    Candidate: Andrea Lani Promoter: Prof. Herman Deconinck       An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework        Physical Modeling
                                     Aerothermodynamics        Numerical Methods
                                             Conclusions       Numerical Results



Chemical Equilibrium and Nonequilibrium

  Flow is modeled as a mixture of Ns perfect gases
                                                               R
                            p=            ps ,     ps = ρs        T,          ρs = ρys
                                      s
                                                               Ms


  Example of gas mixtures used in this work
         Nitrogen-2: N, N2
                                                        +           +
         Air-11: e − , N, O, N2 , NO, O2 , N + , O + , N2 , NO + , O2

  Chemical models
         Equilibrium (LTE): ys = ys (p, T , Ye )
           LTE-FEF: Ye = const
           LTE-VEF: ∂ρYe + · (ρYe u) = − · Je
                       ∂t
                                           ∂ρys
         Nonequilibrium:                    ∂t    +         · (ρs u) = −        · (ρs ud ) + ωs
                                                                                       s     ˙

  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck      An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



LTE vs. NEQ: Temperature field




LTE-FEF (top) vs. LTE-VEF (bottom)                                 CNEQ (top) vs. TCNEQ (bottom)

  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework        Physical Modeling
                                     Aerothermodynamics        Numerical Methods
                                             Conclusions       Numerical Results



Thermal Nonequilibrium
  Disequilibration of energy amongst different modes


                                    e = et (Tt ) + ee (Te ) + ef                           atoms
          e = et (Tt ) + er (Tr ) + ev (Tv ,m ) + ee (Te )                              molecules
                                                            e = et (Te )             free electrons

  Examples of multi-temperature models
         3-T model (ionized mixtures): Tt = Tr = T , Tv ,m = Tv , Te
         2-T model (ionized mixtures): Tt = Tr = T , Tv ,m = Te = TV
         Multi-T (neutral mixtures):                        Tt = Tr = T , Tv ,m

  Prototype electron-electronic or vibrational energy conservation equation
                                ∂ρe∗
                                     +           · (ρe∗ u) = −           · q∗ + Ω ∗
                                 ∂t
  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck      An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework         Physical Modeling
                                     Aerothermodynamics         Numerical Methods
                                             Conclusions        Numerical Results



Governing equations for TCNEQ

  Advection-diffusion-reaction PDE’s
                                    ∂U ∂P
                                          +                 · Fc =      · Fd + S
                                    ∂P ∂t

  Conservative and natural variables for Multi-T model

                  U = [ρs ρu ρE ρm ev ,m ]T ,                        P = [ρs u T Tv ,m ]T

  Fluxes and Source Terms for Multi-T model
                                                                                             
                ρs u                  −ρs us                                                 ωs
                                                                                             ˙
             ρuu + pˆ 
                       I                ¯
                                         τ                                                 0 
       Fc =                  d
                                                                                
                          , F =  (τ · u)T − q
                                                                                ,     S=       
             ρuH                   ¯         ˜                                           0 
              ρm uev ,m               −qv ,m                                                Ωv ,m

  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck       An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                         Aerothermodynamics     Numerical Methods
                                                 Conclusions    Numerical Results



Diffusive Fluxes and Source Terms

Viscous stresses                                               Heat fluxes

                ∂uj   ∂ui                2
 τij = µ            +               −          · u δij         q = −λ T +
                                                               ˜                            ym qv ,m +               ρs us hs
                ∂xi   ∂xj                3                                             m                        s

Mass production term
                                                                  qv ,m = −λv ,m Tv ,m − ρm um hv ,m
              Nr
ω s = Ms
˙                     b      f
                    (αs,r − αs,r )(Rf ,r − Rb,r )              Energy relaxation (Landau-Teller)
             r =1
                                   Ns              α∗                                   ∗
                                             ρs     s,r
                                                                                      (ev ,s − ev ,s )
  R∗,r = k∗,r (T , Tv ,m )                                         Ωv ,m = ρm                            ˜ ˙
                                                                                                       + Dm ω m
                                  s=1
                                             Ms                                              τm


    The Mutation library (T. Magin, M. Panesi) has been used to compute
    all thermodynamics, transport, chemistry, energy relaxation

     Candidate: Andrea Lani Promoter: Prof. Herman Deconinck    An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                   Aerothermodynamics     Numerical Methods
                                           Conclusions    Numerical Results




                                 Numerical Methods




Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework           Physical Modeling
                                       Aerothermodynamics           Numerical Methods
                                               Conclusions          Numerical Results



Implicit Time Stepping
                                 ˜      ∂U ∂P
                                 R(P) =       + RSM (P) = 0
                                        ∂P ∂t
  Newton method
                                                              ˜
                                                             ∂R “ n ”
                                             n+1         n              n
                                           “     ”     “ ”
                                         ˜
                                         R P         ˜
                                                   = R P   +     P    ∆P = 0
                                                             ∂P
                                        8 »        –
                                              ˜ “ ”
                                            ∂ R Pk
                                        >
                                        >             ∆Pk           =     −R(Pk )
                                                                           ˜
                                        <   ∂P
                                        >
                                                     Pk+1                 Pk + ∆Pk
                                        >
                                        :
                                                                    =

                                         n+1    k last +1
                                        P    = P                           ⇒
                                                             (Steady case = k = 0)


  Implicit time integration schemes

                                         U(P) − U(Pn )
                          ˜
                          R(P)    =                      Ω + R(P)                     Backward Euler
                                              ∆t
                                         U(P) − U(Pn )       1              n
                          ˜
                          R(P)    =                   Ω+         [R(P) + R(P )]     Crank-Nicholson
                                              ∆t           2
                                         3U(P) − 4U(Pn ) + U(Pn−1 )
                          ˜
                          R(P)    =                                     Ω + R(P)     3-Point Backward
                                                     2∆t


  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck           An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework       Physical Modeling
                                     Aerothermodynamics       Numerical Methods
                                             Conclusions      Numerical Results



Finite Volume Method (FV)
  Integral form of the PDE’s

       d
                   U dΩi +                Fc · n d∂Ωi =                   Fd · n d∂Ωi +                 S dΩi
       dt     Ωi                    ∂Ωi                           ∂Ωi                              Ωi


                                               Cell-centered discretization
                                                             ∂U       dPi
                                                                (Pi )     Ωi + RFV (Pi ) = 0
                                                             ∂P        dt

                                                                     Nf                   Nf
                                                   RFV (Pi ) =             Fc Σ f −
                                                                            f                   Fd Σ f − Si Ω i
                                                                                                 f
                                                                    f =1                 f =1

                                               Linear Reconstruction + Flux Limiter Φ
                                                            ˜
                                                            P(xq ) = Pi + Φi             Pi · (xq − xi )
  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck     An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework         Physical Modeling
                                      Aerothermodynamics         Numerical Methods
                                              Conclusions        Numerical Results



Finite Volume Method (FV)

   Upwind schemes for convective flux
                                     ¯
                 1
                 2 (Fc + Fc ) − | A | (UR − UL )
                        R     L                                                             Roe
                
                
                
           Fc =
             f     F+ + F− = A+ UL + A− UR                                                   S-W
                
                
                
                
                   m1/2 ΨL/R + p1/2
                    ˙                                                                        AUSM
                


Central discretization for diffusive flux

             Fd = Fd (Pf , Pf , nf )
              f




                                                 Nl
          1                              1            ¯
  Pf =                 P n dΣv =                      Pl nl Σv
                                                             l
          Ωv      Σv                     Ωv    s=1

   Candidate: Andrea Lani Promoter: Prof. Herman Deconinck       An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework    Physical Modeling
                                        Aerothermodynamics    Numerical Methods
                                                Conclusions   Numerical Results



Residual Distribution Method (RD)

  Conservation law

    ∂U ∂P
          +              · Fc =           · Fd + S
    ∂P ∂t


                                                               Vertex-centered discretization

                                                                   ∂U       dPl
                                                                      (Pl )     Vl + RRD (Pl ) = 0
                                                                   ∂P        dt
  FE linear interpolation
                   d
        h         X
       P (x, t) =     Pj (t)Nj (x),   Nj (xk ) = δjk
                  j=1                                                 RRD (Pl ) = Φc − Φd − Φs
                                                                                   l    l    l



  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck     An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework         Physical Modeling
                                       Aerothermodynamics         Numerical Methods
                                               Conclusions        Numerical Results



Residual Distribution Method (RD)

Convective term discretization                           Flux contour integral (CRD)

    Φc =              BΩ (K± ) Φc,Ω                                          ∂Fc ∂U
     l                 l                                  Φc,Ω =               i
                                                                                    dΩ =                   F · next d∂Ω
              Ω∈Ξl                                                       Ω   ∂U ∂xi                   ∂Ω


   Galerkin discretization of diffusive term
                                                    1                    ˜
                              Φd = −
                               l                                  Fd (P, P) · nl dΩ
                                                   Ωd         Ω
                                           Ω∈Ξl


   Petrov-Galerkin discretization of source term
                                                                  1-point
                           Φs =
                            l                     wlΩ S dΩ =⇒                         B Ω Sc Ω
                                                                                        l
                                    Ω∈Ξl      Ω                              Ω∈Ξl



    Candidate: Andrea Lani Promoter: Prof. Herman Deconinck       An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                   Aerothermodynamics     Numerical Methods
                                           Conclusions    Numerical Results




                                   Numerical Results




Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



RTO RTG 43: Double Cone Run 42




  Double cone geometry definition
                                                               Computational mesh (131,584 nodes)
  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



RTO RTG 43: Double Cone Run 42
                              v
 Nitrogen-2, TCNEQ 2T (T , TN2 ), M∞ = 11.5




     Schematics of the flowfield
    (from Nompelis’ PhD thesis)
                                                                        Mach number (CRD-Bx)


  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                       Aerothermodynamics     Numerical Methods
                                               Conclusions    Numerical Results



RTO RTG 43: Double Cone Run 42
                              v
 Nitrogen-2, TCNEQ 2T (T , TN2 ), M∞ = 11.5




Roto-translational temperature (CRD-Bxc)                              Vibrational temperature of N2 and
                                                                       mass fraction of atomic nitrogen
    Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



RTO RTG 43: Double Cone Run 42
                              v
 Nitrogen-2, TCNEQ 2T (T , TN2 ), M∞ = 11.5




  Surface pressure: COOLFluiD (CRD-Bxc) vs. FV solvers
  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



RTO RTG 43: Double Cone Run 42
                              v
 Nitrogen-2, TCNEQ 2T (T , TN2 ), M∞ = 11.5




  Surface heat flux: COOLFluiD (CRD-Bxc) vs. FV solvers
  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                      Aerothermodynamics     Numerical Methods
                                              Conclusions    Numerical Results



RTO RTG 43: Cylinder Case III




Cylinder mounted in HEG facility (DLR)
                                                               Computational mesh (3,426,300 hexa)
                                                                    Thanks to Janos Molnar
   Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



RTO RTG 43: Cylinder Case III
                          v   v
 Air-5, TCNEQ 3T (T , TN2 ,TO2 ), M∞ = 8.8




            Mach number
                                                                    Roto-translational temperature
         AUSM+, LS 2nd order

  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



RTO RTG 43: Cylinder Case III
                          v   v
 Air-5, TCNEQ 3T (T , TN2 ,TO2 ), M∞ = 8.8




  Surface pressure: blind comparison vs. experiments
  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



RTO RTG 43: Cylinder Case III
                          v   v
 Air-5, TCNEQ 3T (T , TN2 ,TO2 ), M∞ = 8.8




  Surface heat flux: blind comparison vs. experiments
  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



Stardust Sample Return Capsule




    Stardust capsule after landing



                                                                Computational mesh (68300 quads)

  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



Stardust Sample Return Capsule
  Air-11, TCNEQ 2T (T , Tve ), M∞ = 42




            Mach number                                              Stagnation temperatures profiles
         AUSM+, LS 2nd order                                          COOLFluiD vs. NASA DPLR

  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework       Physical Modeling
                                     Aerothermodynamics       Numerical Methods
                                             Conclusions      Numerical Results



EXPErimental Re-entry Test-bed (EXPERT) Vehicle




Model of the EXPERT vehicle
mounted in VKI wind tunnel
                                                            Computational mesh (2,872,584 hexa)
                                                                  Thanks to Fabio Pinna

  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck     An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



EXPERT Vehicle
                        v    v
  Air-5, TCNEQ 3T (T , TN2 ,TO2 ), M∞ = 18.4




           Mach number
  Liou-Steffen AUSM, LS 2nd order                                      Roto-translational temperature


  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework     Physical Modeling
                                     Aerothermodynamics     Numerical Methods
                                             Conclusions    Numerical Results



EXPERT Vehicle
                        v    v
  Air-5, TCNEQ 3T (T , TN2 ,TO2 ), M∞ = 18.4




   Vibrational temperature of N2                                       Vibrational temperature of O2



  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework
                                     Aerothermodynamics     Conclusions
                                             Conclusions



Outline

  1   COOLFluiD Framework
       Introduction
       Object Oriented Design
       High Performance Techniques
       Validation of the COOLFluiD Framework

  2   Aerothermodynamics
        Physical Modeling
        Numerical Methods
        Numerical Results

  3   Conclusions
        Conclusions



  Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework
                                      Aerothermodynamics     Conclusions
                                              Conclusions



Contributions of this thesis
  Co-development of a multi-purpose computational framework

  Co-development of OO design techniques for scientific computing

  Parallel algorithms for HPC simulation

  Integration of multiple systems of PDE’s for Aerothermodynamics:
  =⇒ N-S, LTE, TCNEQ, Collisional Radiative

  Parallel implicit multi-physics FV solver

  Parallel implicit multi-physics RD solver
  =⇒ Application of CRD to handle TCNEQ flows

  Validation of the solvers on challenging testcases
   Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami
COOLFluiD Framework
                                   Aerothermodynamics     Conclusions
                                           Conclusions




                      Thank you all for the attention!


                             Any questions? Remarks?




Candidate: Andrea Lani Promoter: Prof. Herman Deconinck   An Object Oriented and High Performance Platform for Aerothermodynami

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An Object Oriented and High Performance Platform for Aerothermodynamics Simulation

  • 1. COOLFluiD Framework Aerothermodynamics Conclusions An Object Oriented and High Performance Platform for Aerothermodynamics Simulation Candidate: Andrea Lani Promoter: Prof. Herman Deconinck PhD presentation @ULB, 4th December 2008 Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 2. COOLFluiD Framework Aerothermodynamics Conclusions Presentation Overview COOLFluiD Framework Introduction Object Oriented Design High Performance Techniques Aerothermodynamics Physical Modeling Numerical Methods Numerical Results Conclusions COOLFluiD Gallery Conclusion and Future Work Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 3. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework Outline 1 COOLFluiD Framework Introduction Object Oriented Design High Performance Techniques Validation of the COOLFluiD Framework 2 Aerothermodynamics Physical Modeling Numerical Methods Numerical Results 3 Conclusions Conclusions Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 4. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework COOLFluiD Platform Co-developed together with T. Quintino, T. Wuilbaut and D. Kimpe Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 5. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework Component-based Software Architecture Plug-in policy for a modular integration of new developments Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 6. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework What is a COOLFluiD Simulation? From user-defined inputs to engineering solutions Physics COOLFluiD Numerics Mesh Data Input Mesh CFD Simulation Flowfield Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 7. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework Object Oriented Design Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 8. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework MeshData: Topological Region Sets (TRS) The domain is subdivided in topologically different regions GEOMETRIC Mesh Data ENTITY BUILDER SHAPE CELL FUNCTION TRS TR GEOMETRIC ENTITY FACE SHAPE FUNCTION NODE STATE Boundary TRSs Inner TRS Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 9. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework MeshData: Geometric Entities (GE) GE’s are algorithm-dependent agglomerations of degrees of freedom GEOMETRIC Mesh Data ENTITY BUILDER SHAPE CELL FUNCTION TRS TR GEOMETRIC ENTITY FACE SHAPE FUNCTION NODE STATE Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 10. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework MeshData: Data Storage Facade managing serial/distributed data creation and access GEOMETRIC Mesh Data ENTITY BUILDER SHAPE CELL FUNCTION TRS TR GEOMETRIC ENTITY SHAPE FACE FUNCTION DATA STORAGE NODE STATE quot;nodesquot; NODE quot;statesquot; STATE quot;normalsquot; NORMAL ... ... Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 11. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework Physics: Perspective pattern Multiple interfaces offering multiple views of the physics CONVECTIVE DIFFUSIVE REACTIVE PHYSICAL VARSET VARSET VARSET MODEL Concrete Concrete Concrete Concrete Convective Diffusive Reaction Convective VarSet VarSet VarSet Term CONVECTION Concrete DIFFUSION Diffusive Term REACTION Concrete Reaction Term Concrete Physical Model Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 12. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework Numerics: Method Command Strategy (MCS) pattern Flexible and uniform way to implement numerical algorithms BaseMethod action1() action2() ConcreteMethodData getStrategyA() getStrategyB() ConcreteMethod getStrategyC() action1() ... Action1−>execute() Concrete ... StrategyA action2() StrategyA StrategyB Concrete Command StrategyB Action1 execute() execute() Concrete StrategyC StrategyC Command Action2 execute() execute() Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 13. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework Example: MCS combined with Perspective pattern Flexible and uniform way to implement numerical algorithms SpaceMethod Physical Model applyBC() computeRHS() FVM_MethodData getVarSet() Concrete getExtrapolator() Physical Model FVM_Method getFluxSplitter() applyBC() ... WallBC−>execute() Concrete ... VarSet computeRHS() VarSet Extrapol Concrete Command Extrapol WallBC execute() execute() Concrete FluxSplit FluxSplit Command ComputeRHS execute() execute() Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 14. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework High Performance Techniques Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 15. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework High Performance Computing The growing complexity of scientific simulations requires parallelization Remote access from workstations to Modern HPC clusters include 1000’s multi-processor supercomputers CPUs (SGI ICE Altix in photo) Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 16. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework Parallel Functionalities Parallel IO: reading and writing User and developer-friendly layer (numerics independent!) Scalability up to 1024 CPUs Parallel mesh partitioning with ParMetis Robust algorithm for arbitrarily complex unstructured (hybrid) meshes Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 17. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework N-layer Overlap Region N-layer overlap region for tunable inter-process data exchange Schematic of overlap region Example of 1- and 2-layer overlap Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 18. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework Parallel speedup and efficiency Cylinder mesh (3,426,300 hexa’s) Cylinder mesh (20,557,753 tetra’s) FV on SGI Altix ICE and ICE+ RD on SGI Altix ICE Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 19. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework Validation of the COOLFluiD Framework Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 20. Introduction COOLFluiD Framework Object Oriented Design Aerothermodynamics High Performance Techniques Conclusions Validation of the COOLFluiD Framework Gallery of COOLFluiD results An overview of some CF applications partially reusing our work Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 21. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Outline 1 COOLFluiD Framework Introduction Object Oriented Design High Performance Techniques Validation of the COOLFluiD Framework 2 Aerothermodynamics Physical Modeling Numerical Methods Numerical Results 3 Conclusions Conclusions Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 22. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Physical Modeling Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 23. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results What is Aerothermodynamics? Thermo-chemical regimes (Da = τf /τc ) 1 Frozen flows (Da ≈ 0) 2 Equilibrium flows (Da 1) 3 Nonequilibrium flows (Da ≈ 1) Rotation Translation Vibration Truly multi-physical science Electronic gasdynamics Different systems of PDE’s statistical thermodynamics Non-reacting Navier-Stokes chemical kinetics LTE-FEF or LTE-VEF quantum mechanics TCNEQ (multi-temperature) Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 24. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Chemical Equilibrium and Nonequilibrium Flow is modeled as a mixture of Ns perfect gases R p= ps , ps = ρs T, ρs = ρys s Ms Example of gas mixtures used in this work Nitrogen-2: N, N2 + + Air-11: e − , N, O, N2 , NO, O2 , N + , O + , N2 , NO + , O2 Chemical models Equilibrium (LTE): ys = ys (p, T , Ye ) LTE-FEF: Ye = const LTE-VEF: ∂ρYe + · (ρYe u) = − · Je ∂t ∂ρys Nonequilibrium: ∂t + · (ρs u) = − · (ρs ud ) + ωs s ˙ Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 25. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results LTE vs. NEQ: Temperature field LTE-FEF (top) vs. LTE-VEF (bottom) CNEQ (top) vs. TCNEQ (bottom) Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 26. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Thermal Nonequilibrium Disequilibration of energy amongst different modes e = et (Tt ) + ee (Te ) + ef atoms e = et (Tt ) + er (Tr ) + ev (Tv ,m ) + ee (Te ) molecules e = et (Te ) free electrons Examples of multi-temperature models 3-T model (ionized mixtures): Tt = Tr = T , Tv ,m = Tv , Te 2-T model (ionized mixtures): Tt = Tr = T , Tv ,m = Te = TV Multi-T (neutral mixtures): Tt = Tr = T , Tv ,m Prototype electron-electronic or vibrational energy conservation equation ∂ρe∗ + · (ρe∗ u) = − · q∗ + Ω ∗ ∂t Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 27. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Governing equations for TCNEQ Advection-diffusion-reaction PDE’s ∂U ∂P + · Fc = · Fd + S ∂P ∂t Conservative and natural variables for Multi-T model U = [ρs ρu ρE ρm ev ,m ]T , P = [ρs u T Tv ,m ]T Fluxes and Source Terms for Multi-T model       ρs u −ρs us ωs ˙  ρuu + pˆ  I  ¯ τ  0  Fc =  d    , F =  (τ · u)T − q  , S=   ρuH ¯ ˜   0  ρm uev ,m −qv ,m Ωv ,m Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 28. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Diffusive Fluxes and Source Terms Viscous stresses Heat fluxes ∂uj ∂ui 2 τij = µ + − · u δij q = −λ T + ˜ ym qv ,m + ρs us hs ∂xi ∂xj 3 m s Mass production term qv ,m = −λv ,m Tv ,m − ρm um hv ,m Nr ω s = Ms ˙ b f (αs,r − αs,r )(Rf ,r − Rb,r ) Energy relaxation (Landau-Teller) r =1 Ns α∗ ∗ ρs s,r (ev ,s − ev ,s ) R∗,r = k∗,r (T , Tv ,m ) Ωv ,m = ρm ˜ ˙ + Dm ω m s=1 Ms τm The Mutation library (T. Magin, M. Panesi) has been used to compute all thermodynamics, transport, chemistry, energy relaxation Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 29. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Numerical Methods Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 30. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Implicit Time Stepping ˜ ∂U ∂P R(P) = + RSM (P) = 0 ∂P ∂t Newton method ˜ ∂R “ n ” n+1 n n “ ” “ ” ˜ R P ˜ = R P + P ∆P = 0 ∂P 8 » – ˜ “ ” ∂ R Pk > > ∆Pk = −R(Pk ) ˜ < ∂P > Pk+1 Pk + ∆Pk > : = n+1 k last +1 P = P ⇒ (Steady case = k = 0) Implicit time integration schemes U(P) − U(Pn ) ˜ R(P) = Ω + R(P) Backward Euler ∆t U(P) − U(Pn ) 1 n ˜ R(P) = Ω+ [R(P) + R(P )] Crank-Nicholson ∆t 2 3U(P) − 4U(Pn ) + U(Pn−1 ) ˜ R(P) = Ω + R(P) 3-Point Backward 2∆t Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 31. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Finite Volume Method (FV) Integral form of the PDE’s d U dΩi + Fc · n d∂Ωi = Fd · n d∂Ωi + S dΩi dt Ωi ∂Ωi ∂Ωi Ωi Cell-centered discretization ∂U dPi (Pi ) Ωi + RFV (Pi ) = 0 ∂P dt Nf Nf RFV (Pi ) = Fc Σ f − f Fd Σ f − Si Ω i f f =1 f =1 Linear Reconstruction + Flux Limiter Φ ˜ P(xq ) = Pi + Φi Pi · (xq − xi ) Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 32. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Finite Volume Method (FV) Upwind schemes for convective flux ¯  1  2 (Fc + Fc ) − | A | (UR − UL )  R L Roe    Fc = f F+ + F− = A+ UL + A− UR S-W     m1/2 ΨL/R + p1/2 ˙ AUSM  Central discretization for diffusive flux Fd = Fd (Pf , Pf , nf ) f Nl 1 1 ¯ Pf = P n dΣv = Pl nl Σv l Ωv Σv Ωv s=1 Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 33. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Residual Distribution Method (RD) Conservation law ∂U ∂P + · Fc = · Fd + S ∂P ∂t Vertex-centered discretization ∂U dPl (Pl ) Vl + RRD (Pl ) = 0 ∂P dt FE linear interpolation d h X P (x, t) = Pj (t)Nj (x), Nj (xk ) = δjk j=1 RRD (Pl ) = Φc − Φd − Φs l l l Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 34. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Residual Distribution Method (RD) Convective term discretization Flux contour integral (CRD) Φc = BΩ (K± ) Φc,Ω ∂Fc ∂U l l Φc,Ω = i dΩ = F · next d∂Ω Ω∈Ξl Ω ∂U ∂xi ∂Ω Galerkin discretization of diffusive term 1 ˜ Φd = − l Fd (P, P) · nl dΩ Ωd Ω Ω∈Ξl Petrov-Galerkin discretization of source term 1-point Φs = l wlΩ S dΩ =⇒ B Ω Sc Ω l Ω∈Ξl Ω Ω∈Ξl Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 35. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Numerical Results Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 36. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results RTO RTG 43: Double Cone Run 42 Double cone geometry definition Computational mesh (131,584 nodes) Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 37. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results RTO RTG 43: Double Cone Run 42 v Nitrogen-2, TCNEQ 2T (T , TN2 ), M∞ = 11.5 Schematics of the flowfield (from Nompelis’ PhD thesis) Mach number (CRD-Bx) Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 38. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results RTO RTG 43: Double Cone Run 42 v Nitrogen-2, TCNEQ 2T (T , TN2 ), M∞ = 11.5 Roto-translational temperature (CRD-Bxc) Vibrational temperature of N2 and mass fraction of atomic nitrogen Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 39. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results RTO RTG 43: Double Cone Run 42 v Nitrogen-2, TCNEQ 2T (T , TN2 ), M∞ = 11.5 Surface pressure: COOLFluiD (CRD-Bxc) vs. FV solvers Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 40. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results RTO RTG 43: Double Cone Run 42 v Nitrogen-2, TCNEQ 2T (T , TN2 ), M∞ = 11.5 Surface heat flux: COOLFluiD (CRD-Bxc) vs. FV solvers Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 41. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results RTO RTG 43: Cylinder Case III Cylinder mounted in HEG facility (DLR) Computational mesh (3,426,300 hexa) Thanks to Janos Molnar Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 42. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results RTO RTG 43: Cylinder Case III v v Air-5, TCNEQ 3T (T , TN2 ,TO2 ), M∞ = 8.8 Mach number Roto-translational temperature AUSM+, LS 2nd order Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 43. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results RTO RTG 43: Cylinder Case III v v Air-5, TCNEQ 3T (T , TN2 ,TO2 ), M∞ = 8.8 Surface pressure: blind comparison vs. experiments Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 44. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results RTO RTG 43: Cylinder Case III v v Air-5, TCNEQ 3T (T , TN2 ,TO2 ), M∞ = 8.8 Surface heat flux: blind comparison vs. experiments Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 45. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Stardust Sample Return Capsule Stardust capsule after landing Computational mesh (68300 quads) Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 46. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results Stardust Sample Return Capsule Air-11, TCNEQ 2T (T , Tve ), M∞ = 42 Mach number Stagnation temperatures profiles AUSM+, LS 2nd order COOLFluiD vs. NASA DPLR Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 47. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results EXPErimental Re-entry Test-bed (EXPERT) Vehicle Model of the EXPERT vehicle mounted in VKI wind tunnel Computational mesh (2,872,584 hexa) Thanks to Fabio Pinna Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 48. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results EXPERT Vehicle v v Air-5, TCNEQ 3T (T , TN2 ,TO2 ), M∞ = 18.4 Mach number Liou-Steffen AUSM, LS 2nd order Roto-translational temperature Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 49. COOLFluiD Framework Physical Modeling Aerothermodynamics Numerical Methods Conclusions Numerical Results EXPERT Vehicle v v Air-5, TCNEQ 3T (T , TN2 ,TO2 ), M∞ = 18.4 Vibrational temperature of N2 Vibrational temperature of O2 Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 50. COOLFluiD Framework Aerothermodynamics Conclusions Conclusions Outline 1 COOLFluiD Framework Introduction Object Oriented Design High Performance Techniques Validation of the COOLFluiD Framework 2 Aerothermodynamics Physical Modeling Numerical Methods Numerical Results 3 Conclusions Conclusions Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 51. COOLFluiD Framework Aerothermodynamics Conclusions Conclusions Contributions of this thesis Co-development of a multi-purpose computational framework Co-development of OO design techniques for scientific computing Parallel algorithms for HPC simulation Integration of multiple systems of PDE’s for Aerothermodynamics: =⇒ N-S, LTE, TCNEQ, Collisional Radiative Parallel implicit multi-physics FV solver Parallel implicit multi-physics RD solver =⇒ Application of CRD to handle TCNEQ flows Validation of the solvers on challenging testcases Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami
  • 52. COOLFluiD Framework Aerothermodynamics Conclusions Conclusions Thank you all for the attention! Any questions? Remarks? Candidate: Andrea Lani Promoter: Prof. Herman Deconinck An Object Oriented and High Performance Platform for Aerothermodynami