Neutron scattering studies of heterogeneous catalysis
Understanding the structural dynamics/evolution of catalysts and the related surface
chemistry is essential for establishing structure–catalysis relationships, where spectroscopic …
chemistry is essential for establishing structure–catalysis relationships, where spectroscopic …
Local ordering in lead-based relaxor ferroelectrics
DJ Goossens - Accounts of Chemical Research, 2013 - ACS Publications
Lead-based ferroelectric materials are both well-studied and widely used and have a wide
range of applications from ultrasonics to energy harvesting and beyond. However, the use of …
range of applications from ultrasonics to energy harvesting and beyond. However, the use of …
Role of antisite disorder on preamorphization swelling in titanate pyrochlores
Ion irradiation experiments and atomistic simulations were used to demonstrate that
irradiation-induced lattice swelling in a complex oxide, Lu 2 Ti 2 O 7, is due initially to the …
irradiation-induced lattice swelling in a complex oxide, Lu 2 Ti 2 O 7, is due initially to the …
[PDF][PDF] Characterizing dislocation loops in irradiated polycrystalline Zr alloys by X-ray line profile analysis of powder diffraction patterns with satellites
This work extends the convolutional multiple whole profile (CMWP) line profile analysis
(LPA) procedure to determine the total dislocation density and character of irradiation …
(LPA) procedure to determine the total dislocation density and character of irradiation …
X-ray dynamical diffraction by quasi-monolayer graphene
OS Skakunova, SI Olikhovskii, TM Radchenko… - Scientific Reports, 2023 - nature.com
We study the processes of dynamical diffraction of the plane X-ray waves on the graphene
film/SiC substrate system in the case of the Bragg diffraction geometry. The statistical …
film/SiC substrate system in the case of the Bragg diffraction geometry. The statistical …
Tuneable correlated disorder in alloys
Understanding the role of disorder, and the correlations that exist within it, is one of the
defining challenges in contemporary materials science. However, there are few material …
defining challenges in contemporary materials science. However, there are few material …
Effective interactions and atomic ordering in Ni-rich Ni-Re alloys
Interatomic interactions and ordering in fcc Ni-rich Ni-Re alloys are studied by means of first-
principles methods combined with statistical mechanics simulations based on the Ising …
principles methods combined with statistical mechanics simulations based on the Ising …
Diffuse scattering and the mechanism for the phase transition in triglycine sulphate
JM Hudspeth, DJ Goossens, TR Welberry… - Journal of Materials …, 2013 - Springer
Despite the order/disorder nature of its ferroelectric phase transition, and evidence for the
evolution of local order as being important for understanding the transition, no …
evolution of local order as being important for understanding the transition, no …
[HTML][HTML] First-principles calculations of intrinsic stacking fault energies and elastic properties in binary nickel alloys
A Breidi, JDT Allen, A Mottura - Materialia, 2024 - Elsevier
Abstract Density Functional Theory based first-principles calculations in conjunction with the
axial Ising model were performed to determine the compositional variation of the intrinsic …
axial Ising model were performed to determine the compositional variation of the intrinsic …
[PDF][PDF] Total scattering and pair distribution function analysis in modelling disorder in PZN (PbZn1/3Nb2/3O3)
The ability of the pair distribution function (PDF) analysis of total scattering (TS) from a
powder to determine the local ordering in ferroelectric PZN (PbZn1/3Nb2/3O3) has been …
powder to determine the local ordering in ferroelectric PZN (PbZn1/3Nb2/3O3) has been …