A review on Machine learning aspect in physics and mechanics of glasses
The glass science and technology is a rapidly developing field which is focused on
development of new glasses with excellent properties. Glasses are the non-crystalline …
development of new glasses with excellent properties. Glasses are the non-crystalline …
Modeling the mechanics of amorphous solids at different length scale and time scale
We review the recent literature on the simulation of the structure and deformation of
amorphous solids, including oxide and metallic glasses. We consider simulations at different …
amorphous solids, including oxide and metallic glasses. We consider simulations at different …
Electron-beam-assisted superplastic shaping of nanoscale amorphous silica
Glasses are usually shaped through the viscous flow of a liquid before its solidification, as
practiced in glass blowing. At or near room temperature (RT), oxide glasses are known to be …
practiced in glass blowing. At or near room temperature (RT), oxide glasses are known to be …
Polarization effects in ionic solids and melts
Ionic solids and melts are compounds in which the interactions are dominated by
electrostatic effects. However, the polarization of the ions also plays an important role in …
electrostatic effects. However, the polarization of the ions also plays an important role in …
Deep machine learning interatomic potential for liquid silica
IA Balyakin, SV Rempel, RE Ryltsev, AA Rempel - Physical Review E, 2020 - APS
The use of machine learning to develop neural network potentials (NNP) representing the
interatomic potential energy surface allows us to achieve an optimal balance between …
interatomic potential energy surface allows us to achieve an optimal balance between …
Multi-reward reinforcement learning based development of inter-atomic potential models for silica
Silica is an abundant and technologically attractive material. Due to the structural
complexities of silica polymorphs coupled with subtle differences in Si–O bonding …
complexities of silica polymorphs coupled with subtle differences in Si–O bonding …
Aspirin loading and release from MCM-41 functionalized with aminopropyl groups via co-condensation or postsynthesis modification methods
A comprehensive study of aspirin loading and release from MCM-41 and amine
functionalized MCM-41 was conducted. Two different functionalization methods, co …
functionalized MCM-41 was conducted. Two different functionalization methods, co …
[HTML][HTML] Interatomic potentials for oxide glasses: Past, present, and future
The continuous development and improvement of interatomic potential models for oxide
glasses have made classical molecular dynamics a powerful computational technique …
glasses have made classical molecular dynamics a powerful computational technique …
Insight into sodium silicate glass structural organization by multinuclear NMR combined with first-principles calculations
F Angeli, O Villain, S Schuller, S Ispas… - … et Cosmochimica Acta, 2011 - Elsevier
Short and medium range order of silica and sodium silicate glasses have been investigated
from a quantitative analysis of 29Si MAS NMR and 23Na, 17O MQMAS NMR spectra. The …
from a quantitative analysis of 29Si MAS NMR and 23Na, 17O MQMAS NMR spectra. The …
New optimization scheme to obtain interaction potentials for oxide glasses
S Sundararaman, L Huang, S Ispas… - The Journal of Chemical …, 2018 - pubs.aip.org
We propose a new scheme to parameterize effective potentials that can be used to simulate
atomic systems such as oxide glasses. As input data for the optimization, we use the radial …
atomic systems such as oxide glasses. As input data for the optimization, we use the radial …