Neutron scattering studies of heterogeneous catalysis

X Yu, Y Cheng, Y Li, F Polo-Garzon, J Liu… - Chemical …, 2023 - ACS Publications
Understanding the structural dynamics/evolution of catalysts and the related surface
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 …

Role of antisite disorder on preamorphization swelling in titanate pyrochlores

YH Li, BP Uberuaga, C Jiang, S Choudhury, JA Valdez… - Physical review …, 2012 - APS
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 …

[PDF][PDF] Characterizing dislocation loops in irradiated polycrystalline Zr alloys by X-ray line profile analysis of powder diffraction patterns with satellites

T Ungár, G Ribárik, M Topping, RMA Jones… - Journal of applied …, 2021 - journals.iucr.org
This work extends the convolutional multiple whole profile (CMWP) line profile analysis
(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 …

Tuneable correlated disorder in alloys

D Chaney, A Castellano, A Bosak, J Bouchet… - Physical Review …, 2021 - APS
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 …

Effective interactions and atomic ordering in Ni-rich Ni-Re alloys

S He, P Peng, OI Gorbatov, AV Ruban - Physical Review B, 2016 - APS
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 …

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 …

[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 …

[PDF][PDF] Total scattering and pair distribution function analysis in modelling disorder in PZN (PbZn1/3Nb2/3O3)

RE Whitfield, DJ Goossens, TR Welberry - IUCrJ, 2016 - journals.iucr.org
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 …