The radial distribution functions of water as derived from radiation total scattering experiments: is there anything we can say for sure?

AK Soper - International Scholarly Research Notices, 2013 - Wiley Online Library
The present paper reviews the investigation of ambient water structure and focusses in
particular on the determination of the radial distribution functions of water from total …

Everything SAXS: small-angle scattering pattern collection and correction

BR Pauw - Journal of Physics: Condensed Matter, 2013 - iopscience.iop.org
For obtaining reliable nanostructural details of large amounts of sample—and if it is
applicable—small-angle scattering (SAS) is a prime technique to use. It promises to obtain …

Neutron and x-ray diffraction studies of liquids and glasses

HE Fischer, AC Barnes, PS Salmon - Reports on Progress in …, 2005 - iopscience.iop.org
The techniques of neutron diffraction and x-ray diffraction, as applied to structural studies of
liquids and glasses, are reviewed. Emphasis is placed on the explanation and discussion of …

Structural modeling of porous carbons: constrained reverse Monte Carlo method

J Pikunic, C Clinard, N Cohaut, KE Gubbins, JM Guet… - Langmuir, 2003 - ACS Publications
We present a constrained reverse Monte Carlo method for structural modeling of porous
carbons. As in the original reverse Monte Carlo method, the procedure is to stochastically …

A detailed structural characterization of quartz on heating through the α–β phase transition

MG Tucker, DA Keen, MT Dove - Mineralogical …, 2001 - pubs.geoscienceworld.org
Total neutron scattering measurements, analysed using a modification of the reverse Monte
Carlo modelling method to account for long-range crystallographic order, have been used to …

Neutron total scattering method: simultaneous determination of long-range and short-range order in disordered materials

MT Dove, MG Tucker, DA Keen - European Journal of …, 2002 - pubs.geoscienceworld.org
Neutron total scattering, provides simultaneous information about long-range order through
the Bragg peaks and short-range order through the diffuse scattering. We review recent …

Application of the reverse Monte Carlo method to crystalline materials

MG Tucker, MT Dove, DA Keen - Applied Crystallography, 2001 - journals.iucr.org
An implementation of the reverse Monte Carlo (RMC) method for the study of crystalline
materials from polycrystalline neutron total scattering data is presented. The new feature is …

Atomistic simulations of TeO 2-based glasses: interatomic potentials and molecular dynamics

A Gulenko, O Masson, A Berghout, D Hamani… - Physical Chemistry …, 2014 - pubs.rsc.org
In this work we present for the first time empirical interatomic potentials that are able to
reproduce TeO2-based systems. Using these potentials in classical molecular dynamics …

Reverse Monte Carlo modelling of neutron powder diffraction data

A Mellergård, RL McGreevy - Foundations of Crystallography, 1999 - journals.iucr.org
A new reverse Monte Carlo (RMC) method for modelling both lattice and magnetic disorder
in powder crystalline materials by direct calculation of the structure factor has been …

On the elusive links between solution microstructure, dynamics, and solvation thermodynamics: demystifying the path through a bridge over troubled conjectures and …

AA Chialvo - The Journal of Physical Chemistry B, 2023 - ACS Publications
We build a fundamentally based bridge between the solute-induced microstructural
perturbation of the species environment and the dynamic as well as thermodynamic …