New interaction potentials for alkali and alkaline-earth aluminosilicate glasses

New optimization scheme to obtain interaction potentials for oxide glasses

(2018) Siddharth Sundararaman et al.   JOURNAL OF CHEMICAL PHYSICS

Crack initiation in metallic glasses under nanoindentation

(2016) Yongjian Yang et al.   ACTA MATERIALIA

Mechanical properties of silica glass predicted by a pair-wise potential in molecular dynamics simulations

(2016) Siddharth Sundararaman et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Structural origin of intrinsic ductility in binary aluminosilicate glasses

(2016) Jian Luo et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Effect of Sodium Oxide Modifier on Structural and Elastic Properties of Silicate Glass

(2016) Hicham Jabraoui et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A DFT-Based Aspherical Ion Model for Sodium Aluminosilicate Glasses and Melts

(2016) Yoshiki Ishii et al.   Journal of Physical Chemistry C

Machine Learning Force Fields: Construction, Validation, and Outlook

(2016) V. Botu et al.   Journal of Physical Chemistry C

Crack nucleation criterion and its application to impact indentation in glasses

(2016) Jian Luo et al.   Scientific Reports

Machine learning scheme for fast extraction of chemically interpretable interatomic potentials

(2016) Pavel E. Dolgirev et al.   AIP Advances

Competing Indentation Deformation Mechanisms in Glass Using Different Strengthening Methods

(2016) Jian Luo et al.   Frontiers in Materials

A new parameter-free soft-core potential for silica and its application to simulation of silica anomalies

(2015) Sergei Izvekov et al.   JOURNAL OF CHEMICAL PHYSICS

First-principles study of a sodium borosilicate glass-former. I. The liquid state

(2015) Laurent Pedesseau et al.   PHYSICAL REVIEW B

Intrinsic ductility of glassy solids

(2014) Yunfeng Shi et al.   JOURNAL OF APPLIED PHYSICS

Molecular dynamics simulations of ion-exchanged glass

(2014) K. Deenamma Vargheese et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Brittle to Ductile Transition in Densified Silica Glass

(2014) Fenglin Yuan et al.   Scientific Reports

Structure and properties of sodium aluminosilicate glasses from molecular dynamics simulations

(2013) Ye Xiang et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulation of amorphous silica under uniaxial tension: From bulk to nanowire

(2012) Fenglin Yuan et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Silica molecular dynamic force fields—A practical assessment

(2011) Thomas F. Soules et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Atomistic understanding of the network dilation anomaly in ion-exchanged glass

(2011) Adama Tandia et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Ring statistics analysis of topological networks: New approach and application to amorphous GeS2 and SiO2 systems

(2010) Sébastien Le Roux et al.   COMPUTATIONAL MATERIALS SCIENCE

New fitting scheme to obtain effective potential from Car-Parrinello molecular-dynamics simulations: Application to silica

(2008) A. Carré et al.   EPL

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS