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ISSUE 26 | APR 13
Institute and OPAL news
In the first quarter of 2013, the OPAL reactor
itself has operated with very good reliability and
predictability. The thermal-neutron instruments
returned to service during March, and all were
ready for external users in April, according to
schedule. It was a tremendous achievement to
install the new cold guide CG-2, and also to
replace a total of 72m of existing guides during
the 5-month shutdown of OPAL’s Neutron Guide
Hall. Congratulations to the large team of
people both within the Institute, and across all of
ANSTO, who made all of this possible – the
work was all completed ahead of schedule and
without incident.
In addition, the cold-neutron instruments
QUOKKA and PELICAN have been running,
albeit with substantially reduced flux, with
thermal neutrons, as we await the return of cold
neutrons from OPAL, this is now expected to
occur in August 2013.
Around the instruments
EMU (backscattering spectrometer)
In late April, EMU’s stainless-steel vacuum
vessel was delivered to the Institute and
installed in its position in the Neutron Guide Hall,
on the CG-3 guide. EMU is designed to allow
cold-neutron spectroscopy down to the 1-
microvolt energy range, opening up a range of
studies in the diffusion of hydrogen and water in
biological and chemical systems, or tunnelling of
methyl or ammonium groups within molecules.
The stainless-steel vacuum vessel for our new
EMU backscattering spectrometer being
installed in OPAL's Neutron Guide Hall.
NDF Chemical Deuteration
The National Deuteration Facility continues to
provide custom-synthesised deuterated
materials to the national and international
science communities, in order to perform
advanced characterisation studies previously
hindered by the lack of relevant deuterated
compounds.
Dioctadecyldimethylammonium chloride (DOAC)
is a widely used cationic surfactant in textile
softeners and hair conditioner in our daily life
and is usually mixed with various surfactants,
such as alcohols, to improve its functionality.
Molecular-level studies of DOAC mixed with
alcohols that could reveal the relationship
between the thermodynamic behaviour, phase
separation, and molecular packing are still quite
limited. The molecular structure for each
component in a mixed monolayer is difficult to
analyse independently by spectroscopic
methods, and thus to date the lateral interaction
in the mixed monolayer is not yet well
understood at the molecular level. Such
information is very important in both
fundamental studies of biomembranes and in
applications of novel detergent systems.
Schematic models for monolayers of (left top)
pure DOAC monolayer, (left bottom) pure dSA
monolayer, and (right) their mixed monolayers at
the air/water interface.
In a joint collaboration with the Hokkaido
University-Catalysis Research Centre in Japan,
we sought to investigate the structure and lateral
interactions of mixed monolayers of DOAC and
a neutral surfactant of stearyl alcohol (SA) using
sum frequency generation spectroscopy (SFG).
The aims of the study were (i) to understand the
physicochemical properties of mixtures of a
cationic and a neutral surfactant at air/water and
air/solid interfaces; (ii) to understand the
relationship between the structure and
interaction of lipid molecules with charged head
2
ISSUE 26 | APR 13
groups in membranes on a molecular level; and
(iii) to enable control of the functionality of the
membranes by a suitable mixing process. SFG
is a second-order non-linear optical technique
which is particularly useful in surface science
due to its high selectivity and sensitivity. In this
study, SFG spectroscopy together with
deuteration allowed quantification of molecular
order and condensation within DOAC and
stearyl alcohol. To avoid the spectral
interference in the C−H stretching region for
DOAC and SA molecules, the deuterated
analogue of SA, perdeuterated stearyl alcohol-
d37 (dSA), was synthesized and used in the
study. SFG observations demonstrated that
molecular packing and conformational ordering
of DOAC molecules are substantially improved
by mixing with dSA. This study was part of a
visiting fellowship awarded by the Japan Society
for the Promotion of Science to Dr Tamim
Darwish in 2010 and the work has recently been
published in Langmuir.
(http://pubs.acs.org/doi/abs/10.1021/la400143k)
Kowari (strain scanner)
Erich Kisi and Chris
Wensrich (The University
of Newcastle), Vladimir
Luzin (ANSTO) and
Oliver Kirstein (ESS)
have applied the neutron
diffraction strain scanning
method to the problem of
the stress distribution in
granular materials under
a consolidating pressure.
Strains measured in axial,
radial, circumferential and
an oblique direction using
the neutron strain
scanning diffractometer
KOWARI at ANSTO give
the full stress tensor as a
function of position. The
theory underlying the
method has been
developed [1] and applied
to Cu [2,3], zirconia and
Fe [4,5] particles within
various dies, see Figure.
Above: Axial stress in Fe powder under 160
MPa consolidating pressure in a converging die.
Granular materials, extremely important in food
production, minerals extraction, pharmaceuticals
and powder metallurgy, can be poured like a
liquid and yet can support static shear stresses
like a solid. Due to a locally and macroscopically
inhomogeneous nature, algebraic constitutive
models are difficult to develop. Continuum (finite
element) or individual particle (discrete element)
numerical models are being widely explored.
However, there were previously no methods for
their experimental validation.
Pelican (time-of-flight spectrometer),
Inelastic neutron scattering spectrum from water
using an incident neutron energy of 3.74 meV.
Our PELICAN time-of-flight spectrometer has
recently recommenced “hot commissioning”,
following the 5-month shutdown of OPAL’s
Neutron Guide Hall, and receipt of regulatory
permission to run with thermal neutrons, rather
than cold neutrons.
Initially the choppers were removed from the
instrument and a sample diffraction pattern was
obtained from a Si standard, while in late April
we successfully measured our first diffraction
pattern from a sheet of polyethylene using an
incident neutron energy of 3.74 meV.
Since obtaining the above results, we have also
obtained the QENS spectrum of water at room
temperature with the same instrument
configuration; the elastic line is at 0.0 meV and
the other scattering in both neutron energy loss
and neutron energy gain, on either side of the
elastic signal is essentially from the vibrational
density of states in the sample. The self-
diffusion constant estimated from the
quasielastic width of these raw data was
1.9 x 10
-9
m
2
s
-1
, compared with the literature
value (Singwi and Sjölander Phys. Rev. 119,
863-871 (1960)).
3
ISSUE 26 | APR 13
Taiwan Team welcomes new Leader
The National Science
Council of Taiwan’s
ANSTO-based neutron
scattering group
welcomed their new
group leader Jason Gardner in April. Jason is a
staff member at their synchrotron and comes to
us with over 15 years experience at the NIST
Center for Neutron Research in the USA and
Chalk River National Laboratories in Canada.
Jason got his PhD at Warwick University under
the supervision of Don McKenzie Paul and
overlapped with Rob Robinson at Los Alamos
during one of his postdocs. Jason’s science
interests are in exotic low temperature magnetic
materials and have been based around
pyrochlore magnets for the past 15 years.
Jason will also run a low temperature, high field
laboratory in Taiwan.
Helping our friends from China
Xiaolong Liu, an instrument scientist on the
texture diffractometer at the Neutron Scattering
Lab, China Institute of Atomic Energy (CIAE)
arrived at the Institute in March for six months of
training with instrument scientist Vladimir Luzin
on our KOWARI strain scanner. Xiaolong’s visit
is organised and sponsored by the International
Atomic Energy Agency, through a Technical
Cooperation project.
Pole figures obtained for an Al/Mg composite
using KOWARI.
As part of this training and a collaborative
research project between Harbin Institute of
Technology, the CIAE and the Bragg Institute, a
series of experiments are in progress to study
texture in a series of Al/Mg composites in 50/50
combination produced by accumulative roll
bonding (ARB). ARB is a form of severe plastic
deformation designed to fabricate ultrafine
grained, bulky metallic materials with excellent
mechanical qualities and can be used to join
dissimilar metals to produce laminated
structures with alternating layers of different
metals. In the case of Al/Mg composites, the
good formability and high strength of aluminium
and the low density and high damping capacity
of magnesium are coupled. The overall
performance of the composite is influenced by
the microstructure (dislocation density, grain
size and grain orientation), which is rather
complex and shaped by the interplay of many
different factors of the ARB process (rolling
temperature, rolling cycles, annealing
temperature and time).
4
ISSUE 26 | APR 13
The wide coverage of the KOWARI detector has
enabled the simultaneous measurement of
multiple pole figures, with 3 Al and 6 Mg pole
figures obtained for each sample.
Over the coming months, Xialong will be
analysing data obtained using KOWARI and
correlating the results of texture measurements
with damping performance measurements to
enhance their understanding of the ARB
process.
Bragg Institute Celebrates its First Ten Years
To celebrate the first
ten years of the Bragg
Institute, ANSTO has
released a
commemorative report
that includes a
compilation of the
achievements of the
Institute, told by the
people who were
involved in developing
the Institute from its
beginnings. A PDF of
the report is available here. Hard copies are
available upon request from the User Office.
Announcements
The 2014-1 Proposal Round is open for beam
time between January and June 2013 and
access to all neutron-beam instruments.
Proposals should be submitted online by 15
Sept 2013 via https://neutron.ansto.gov.au.
Given the uncertainties about the return to cold
neutron service from OPAL, only thermal-
neutron and NDF proposals can be submitted in
this round.
ANSTO-AINSE Neutron School,
12 – 16 August 2013
Neutron techniques across all thermal
instruments at OPAL (ECHIDNA, KOALA,
KOWARI, TAIPAN and WOMBAT) will be
covered in the school, to be held at ANSTO
(Sydney), 12 – 16 Aug 2013. Candidates will
participate in tailored experiments to further
enhance their understanding of the relevant
techniques, attend lectures and spend
significant time analysing data.
Applicants should submit an abstract, before
14
th
June, outlining their scientific interests with
relation to neutron scattering. The template can
be downloaded here.
New Faces
Arrivals
Eliza Barker has recently
joined the Bragg Institute
User Office as a trainee
administration assistant.
Eliza recently completed
her HSC studies at
Kirrawee High School.
Stanley Lee joins the Sample
Environment Team as part of
the 2013 ANSTO Graduate
Program. He has completed
a combined Mechanical
(Biomedical) Engineering /
Law degree at the University
of Sydney.
Departures
In April, Chen Li, Aravin Chellappah and Tony
Lam have ANSTO to further their careers. The
Institute wishes them the best in their new
endeavours!
Best wishes also to Warren Brown who has
moved from the Institute to ANSTO Health in
order to work on Molybdenum-99 operations.
Contact us
Bragg Institute User Office, Building 87, ANSTO
Locked Bag 2001, Kirrawee DC NSW 2232,
Australia
T +61 2 9717 7232, F +61 2 9717 3606
E bragg-user-office@ansto.gov.au
http://www.ansto.gov.au/ResearchHub/Bragg

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Bragg peaks 26_april

  • 1. 1 ISSUE 26 | APR 13 Institute and OPAL news In the first quarter of 2013, the OPAL reactor itself has operated with very good reliability and predictability. The thermal-neutron instruments returned to service during March, and all were ready for external users in April, according to schedule. It was a tremendous achievement to install the new cold guide CG-2, and also to replace a total of 72m of existing guides during the 5-month shutdown of OPAL’s Neutron Guide Hall. Congratulations to the large team of people both within the Institute, and across all of ANSTO, who made all of this possible – the work was all completed ahead of schedule and without incident. In addition, the cold-neutron instruments QUOKKA and PELICAN have been running, albeit with substantially reduced flux, with thermal neutrons, as we await the return of cold neutrons from OPAL, this is now expected to occur in August 2013. Around the instruments EMU (backscattering spectrometer) In late April, EMU’s stainless-steel vacuum vessel was delivered to the Institute and installed in its position in the Neutron Guide Hall, on the CG-3 guide. EMU is designed to allow cold-neutron spectroscopy down to the 1- microvolt energy range, opening up a range of studies in the diffusion of hydrogen and water in biological and chemical systems, or tunnelling of methyl or ammonium groups within molecules. The stainless-steel vacuum vessel for our new EMU backscattering spectrometer being installed in OPAL's Neutron Guide Hall. NDF Chemical Deuteration The National Deuteration Facility continues to provide custom-synthesised deuterated materials to the national and international science communities, in order to perform advanced characterisation studies previously hindered by the lack of relevant deuterated compounds. Dioctadecyldimethylammonium chloride (DOAC) is a widely used cationic surfactant in textile softeners and hair conditioner in our daily life and is usually mixed with various surfactants, such as alcohols, to improve its functionality. Molecular-level studies of DOAC mixed with alcohols that could reveal the relationship between the thermodynamic behaviour, phase separation, and molecular packing are still quite limited. The molecular structure for each component in a mixed monolayer is difficult to analyse independently by spectroscopic methods, and thus to date the lateral interaction in the mixed monolayer is not yet well understood at the molecular level. Such information is very important in both fundamental studies of biomembranes and in applications of novel detergent systems. Schematic models for monolayers of (left top) pure DOAC monolayer, (left bottom) pure dSA monolayer, and (right) their mixed monolayers at the air/water interface. In a joint collaboration with the Hokkaido University-Catalysis Research Centre in Japan, we sought to investigate the structure and lateral interactions of mixed monolayers of DOAC and a neutral surfactant of stearyl alcohol (SA) using sum frequency generation spectroscopy (SFG). The aims of the study were (i) to understand the physicochemical properties of mixtures of a cationic and a neutral surfactant at air/water and air/solid interfaces; (ii) to understand the relationship between the structure and interaction of lipid molecules with charged head
  • 2. 2 ISSUE 26 | APR 13 groups in membranes on a molecular level; and (iii) to enable control of the functionality of the membranes by a suitable mixing process. SFG is a second-order non-linear optical technique which is particularly useful in surface science due to its high selectivity and sensitivity. In this study, SFG spectroscopy together with deuteration allowed quantification of molecular order and condensation within DOAC and stearyl alcohol. To avoid the spectral interference in the C−H stretching region for DOAC and SA molecules, the deuterated analogue of SA, perdeuterated stearyl alcohol- d37 (dSA), was synthesized and used in the study. SFG observations demonstrated that molecular packing and conformational ordering of DOAC molecules are substantially improved by mixing with dSA. This study was part of a visiting fellowship awarded by the Japan Society for the Promotion of Science to Dr Tamim Darwish in 2010 and the work has recently been published in Langmuir. (http://pubs.acs.org/doi/abs/10.1021/la400143k) Kowari (strain scanner) Erich Kisi and Chris Wensrich (The University of Newcastle), Vladimir Luzin (ANSTO) and Oliver Kirstein (ESS) have applied the neutron diffraction strain scanning method to the problem of the stress distribution in granular materials under a consolidating pressure. Strains measured in axial, radial, circumferential and an oblique direction using the neutron strain scanning diffractometer KOWARI at ANSTO give the full stress tensor as a function of position. The theory underlying the method has been developed [1] and applied to Cu [2,3], zirconia and Fe [4,5] particles within various dies, see Figure. Above: Axial stress in Fe powder under 160 MPa consolidating pressure in a converging die. Granular materials, extremely important in food production, minerals extraction, pharmaceuticals and powder metallurgy, can be poured like a liquid and yet can support static shear stresses like a solid. Due to a locally and macroscopically inhomogeneous nature, algebraic constitutive models are difficult to develop. Continuum (finite element) or individual particle (discrete element) numerical models are being widely explored. However, there were previously no methods for their experimental validation. Pelican (time-of-flight spectrometer), Inelastic neutron scattering spectrum from water using an incident neutron energy of 3.74 meV. Our PELICAN time-of-flight spectrometer has recently recommenced “hot commissioning”, following the 5-month shutdown of OPAL’s Neutron Guide Hall, and receipt of regulatory permission to run with thermal neutrons, rather than cold neutrons. Initially the choppers were removed from the instrument and a sample diffraction pattern was obtained from a Si standard, while in late April we successfully measured our first diffraction pattern from a sheet of polyethylene using an incident neutron energy of 3.74 meV. Since obtaining the above results, we have also obtained the QENS spectrum of water at room temperature with the same instrument configuration; the elastic line is at 0.0 meV and the other scattering in both neutron energy loss and neutron energy gain, on either side of the elastic signal is essentially from the vibrational density of states in the sample. The self- diffusion constant estimated from the quasielastic width of these raw data was 1.9 x 10 -9 m 2 s -1 , compared with the literature value (Singwi and Sjölander Phys. Rev. 119, 863-871 (1960)).
  • 3. 3 ISSUE 26 | APR 13 Taiwan Team welcomes new Leader The National Science Council of Taiwan’s ANSTO-based neutron scattering group welcomed their new group leader Jason Gardner in April. Jason is a staff member at their synchrotron and comes to us with over 15 years experience at the NIST Center for Neutron Research in the USA and Chalk River National Laboratories in Canada. Jason got his PhD at Warwick University under the supervision of Don McKenzie Paul and overlapped with Rob Robinson at Los Alamos during one of his postdocs. Jason’s science interests are in exotic low temperature magnetic materials and have been based around pyrochlore magnets for the past 15 years. Jason will also run a low temperature, high field laboratory in Taiwan. Helping our friends from China Xiaolong Liu, an instrument scientist on the texture diffractometer at the Neutron Scattering Lab, China Institute of Atomic Energy (CIAE) arrived at the Institute in March for six months of training with instrument scientist Vladimir Luzin on our KOWARI strain scanner. Xiaolong’s visit is organised and sponsored by the International Atomic Energy Agency, through a Technical Cooperation project. Pole figures obtained for an Al/Mg composite using KOWARI. As part of this training and a collaborative research project between Harbin Institute of Technology, the CIAE and the Bragg Institute, a series of experiments are in progress to study texture in a series of Al/Mg composites in 50/50 combination produced by accumulative roll bonding (ARB). ARB is a form of severe plastic deformation designed to fabricate ultrafine grained, bulky metallic materials with excellent mechanical qualities and can be used to join dissimilar metals to produce laminated structures with alternating layers of different metals. In the case of Al/Mg composites, the good formability and high strength of aluminium and the low density and high damping capacity of magnesium are coupled. The overall performance of the composite is influenced by the microstructure (dislocation density, grain size and grain orientation), which is rather complex and shaped by the interplay of many different factors of the ARB process (rolling temperature, rolling cycles, annealing temperature and time).
  • 4. 4 ISSUE 26 | APR 13 The wide coverage of the KOWARI detector has enabled the simultaneous measurement of multiple pole figures, with 3 Al and 6 Mg pole figures obtained for each sample. Over the coming months, Xialong will be analysing data obtained using KOWARI and correlating the results of texture measurements with damping performance measurements to enhance their understanding of the ARB process. Bragg Institute Celebrates its First Ten Years To celebrate the first ten years of the Bragg Institute, ANSTO has released a commemorative report that includes a compilation of the achievements of the Institute, told by the people who were involved in developing the Institute from its beginnings. A PDF of the report is available here. Hard copies are available upon request from the User Office. Announcements The 2014-1 Proposal Round is open for beam time between January and June 2013 and access to all neutron-beam instruments. Proposals should be submitted online by 15 Sept 2013 via https://neutron.ansto.gov.au. Given the uncertainties about the return to cold neutron service from OPAL, only thermal- neutron and NDF proposals can be submitted in this round. ANSTO-AINSE Neutron School, 12 – 16 August 2013 Neutron techniques across all thermal instruments at OPAL (ECHIDNA, KOALA, KOWARI, TAIPAN and WOMBAT) will be covered in the school, to be held at ANSTO (Sydney), 12 – 16 Aug 2013. Candidates will participate in tailored experiments to further enhance their understanding of the relevant techniques, attend lectures and spend significant time analysing data. Applicants should submit an abstract, before 14 th June, outlining their scientific interests with relation to neutron scattering. The template can be downloaded here. New Faces Arrivals Eliza Barker has recently joined the Bragg Institute User Office as a trainee administration assistant. Eliza recently completed her HSC studies at Kirrawee High School. Stanley Lee joins the Sample Environment Team as part of the 2013 ANSTO Graduate Program. He has completed a combined Mechanical (Biomedical) Engineering / Law degree at the University of Sydney. Departures In April, Chen Li, Aravin Chellappah and Tony Lam have ANSTO to further their careers. The Institute wishes them the best in their new endeavours! Best wishes also to Warren Brown who has moved from the Institute to ANSTO Health in order to work on Molybdenum-99 operations. Contact us Bragg Institute User Office, Building 87, ANSTO Locked Bag 2001, Kirrawee DC NSW 2232, Australia T +61 2 9717 7232, F +61 2 9717 3606 E bragg-user-office@ansto.gov.au http://www.ansto.gov.au/ResearchHub/Bragg