Ion conduction in superionic glassy electrolytes: an overview
The various theoretical and experimental models for ion conduction mechanism of fast ion
conducting (FIC) glass electrolytes have been reported in the present review paper. Some …
conducting (FIC) glass electrolytes have been reported in the present review paper. Some …
New insights into the structure of sodium silicate glasses by force-enhanced atomic refinement
Atomistic simulations can offer direct access to the atomic structure of glasses, which is
otherwise invisible from conventional experiments. However, molecular dynamics (MD) …
otherwise invisible from conventional experiments. However, molecular dynamics (MD) …
Revealing the medium-range structure of glassy silica using force-enhanced atomic refinement
The medium-range order structure of silicate glasses remains poorly known as it is not
directly visible from conventional experiments. In turn, although atomistic simulations offer a …
directly visible from conventional experiments. In turn, although atomistic simulations offer a …
Structure of lead tellurite glasses and its relationship with stress-optic properties
Abstract Reverse Monte Carlo (RMC) simulations were applied for modelling the atomic
structure of the PbO-TeO 2 glasses containing 10, 15 and 20-mol% PbO. The short-range …
structure of the PbO-TeO 2 glasses containing 10, 15 and 20-mol% PbO. The short-range …
Iterative reverse Monte Carlo and molecular statics for improved atomic structure modeling: a case study of zinc oxide grown by atomic layer deposition
RC Gettler, HD Koenig, MJ Young - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
Reverse Monte Carlo (RMC) modeling is a common method to derive atomic structure
models of materials from experimental diffraction data. However, conventional RMC …
models of materials from experimental diffraction data. However, conventional RMC …
Structural analysis of WO3-TeO2 glasses by neutron, high energy X-ray diffraction, reverse Monte Carlo simulations and XANES
The structure of WO 3-TeO 2 glasses containing 15, 20 and 25 mol% WO 3 are studied by
neutron diffraction (ND), high energy X-ray diffraction (XRD) and X-ray Absorption Near …
neutron diffraction (ND), high energy X-ray diffraction (XRD) and X-ray Absorption Near …
Investigation of the structures of sodium borophosphate glasses by reverse Monte Carlo modeling to examine the origins of the mixed glass former effect
M Schuch, R Christensen, C Trott… - The Journal of …, 2012 - ACS Publications
We present new results for the Reverse Monte Carlo modeling of 0.35 Na2O+ 0.65 [x
B2O3+(1–x) P2O5] glasses based on previously reported X-ray diffraction (XRD) data …
B2O3+(1–x) P2O5] glasses based on previously reported X-ray diffraction (XRD) data …
Neutron diffraction techniques for structural studies of glasses
AC Hannon - Modern glass characterization, 2015 - Wiley Online Library
Neutron diffraction (ND) is an important experimental technique for the investigation of the
structure of glasses. This chapter provides empirical information to enable a new researcher …
structure of glasses. This chapter provides empirical information to enable a new researcher …
Molecular dynamics simulation for the rapid solidification process of MgO–Al2O3–SiO2 glass–ceramics
P Zhang, W Hui, Y Zhang, X Ren, D Zhang - Journal of non-crystalline …, 2012 - Elsevier
A molecular dynamics simulation method was used to study the effects of the microstructure
on the solidification process of different cooling rates in the MgO–Al2O3–SiO2 glass …
on the solidification process of different cooling rates in the MgO–Al2O3–SiO2 glass …
Theoretical and experimental investigations of isosteric heats for water adsorption on silica gel surfaces
W Fan, A Chakraborty, KC Leong - Applied Thermal Engineering, 2018 - Elsevier
The knowledge of the isosteric heats (Q st o) is essential to design porous adsorbents for
calculating the performances of adsorption-assisted cooling, separation and gas storage …
calculating the performances of adsorption-assisted cooling, separation and gas storage …