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Comparison Phase-object approximation and dynamical scattering theory
X-ray, electron and neutron scattering techniques have been used for the structural characterization of surfaces and embedded morphologies. Several theories have been developed... -
quantitative dark field imaging using Larmor labelling
We will determine whether a neutron technique called dark field Lamor imaging can provide quantitative information about the spatial distribution of small inhomogeneities in... -
Structure and encapsulation of additives in spray coated surfactant templated...
This proposal continues our work into surfactant templated films formed from surfactant/polyelectrolyte solutions. Recently we have been studying the encapsulation of... -
GISANS directed to study lipid bilayer structures on nanowire arrays
Nanowires are increasingly being used in life science to interact with living cells, for example as nanometer probes. The interaction between the cell membrane, i.e. a lipid... -
A variable temperature study of polymorphism in Li2+2xM1-xSiO4 electrode mate...
There is great interest in scaling up Li-ion batteries for use in electric vehicles, requiring cheap andsafe cathodes. Recently, silicate-based cathodes have been described,... -
Unusual polymorphism in sodalites
We have recently observed extraordinary polymorphism on cooling various sodalites under vacuum. Materials undergo a phase transition followed by a fully reversible... -
Lithium-ion Battery INR18650 MJ1 3D X-ray CT Data: Graphite-Silicon Anode (EI...
3D data on an 18650 Li-ion Battery Graphite-Silicon Anode Collected using an 810 Ultra X-ray-CT instrument (Zeiss Xradia 810 Ultra, Carl Zeiss., CA, USA).Accelerating tube... -
Improving the silicon interactions of GFN-xTB
This record addresses inaccuracies in the widely-used GFN-xTB model when it comes to the description of organosilicon compounds. Here, an ab initio reference data set of 10000... -
Neural networks-based variationally enhanced sampling
Sampling complex free-energy surfaces is one of the main challenges of modern atomistic simulation methods. The presence of kinetic bottlenecks in such surfaces often renders a...