[HTML][HTML] Interatomic potentials for oxide glasses: Past, present, and future

A Pedone, M Bertani, L Brugnoli, A Pallini - Journal of Non-Crystalline …, 2022 - Elsevier
The continuous development and improvement of interatomic potential models for oxide
glasses have made classical molecular dynamics a powerful computational technique …

Revealing hidden medium-range order in silicate glass formers using many-body correlation functions

Z Zhang, W Kob - Physical Review B, 2024 - APS
The medium-range order (MRO) in amorphous systems has been linked to complex features
such as the dynamic heterogeneities in supercooled liquids or the plastic deformation of …

Investigation of Li2O/Na2O effect on the atomic structure and mechanical properties of aluminosilicate glasses using molecular dynamics simulation, Raman and NMR …

Y Yang, J Han, H Zhai, Q Jiang, B Wang, L Shi… - Journal of Non …, 2023 - Elsevier
Aluminosilicate glasses are extensively used in flat panel displays and aircraft windshields
because of their superior mechanical characteristics. Understanding the influence of the …

[HTML][HTML] Elaboration of a neural-network interatomic potential for silica glass and melt

S Trillot, J Lam, S Ispas, AKA Kandy… - Computational Materials …, 2024 - Elsevier
Because of its importance in various aspects of everyday life, silica is a material that has
been the subject of extensive research. Studies on its amorphous phase have particularly …

Structural Causes of Brittleness Changes in Aluminosilicate Glasses with Different Cooling Rates

L Zheng, S Liu, F Ji, L Tong, S Xu - Materials, 2024 - mdpi.com
Numerous sources have already demonstrated that varying annealing rates can result in
distinct toughness and brittleness in glass. To determine the underlying mechanisms driving …

Mechanical properties and structural evolution of sodium borosilicate glasses during uniaxial tension: Molecular dynamics simulation and experiments

Z Kang, P Xu, Z Liu, Y Liu, W Gao, Y Cao, Y Yue… - Ceramics …, 2024 - Elsevier
The mechanical properties and structural evolution of sodium borosilicate glasses under the
uniaxial tensile process were investigated through molecular dynamics simulation. The …

Size-dependent viscosity of silica optical fiber under high temperature

Z Cui, G Shao, M Zhang, Y Tian, Q Chai… - Optical Materials …, 2023 - opg.optica.org
Viscosity of optical fiber plays an important role in high temperature applications in harsh
environments. A size-dependent viscosity phenomenon of silica optical fiber under high …

Mixed alkaline earth effect on the structure and elastic modulus of CaO–MgO–Al2O3–SiO2 glasses: A molecular dynamics simulation

G Gu, X Liu, L Zhang, X Wang, W Wu, Y Cao… - Journal of Non …, 2023 - Elsevier
The influence of mixed alkaline earth effect on the atomic structure and elastic modulus of
the CaO–MgO–Al 2 O 3–SiO 2 glasses were studied by molecular dynamics simulation. The …

Fracture of silicate glasses: Microcavities and correlations between atomic-level properties

Z Zhang, S Ispas, W Kob - Physical Review Materials, 2022 - APS
We use large-scale simulations to investigate the dynamic fracture of silica and sodium-
silicate glasses under uniaxial tension. The stress-strain curves demonstrate that silica glass …

[HTML][HTML] Size effects on the fracture behavior of amorphous silica from molecular dynamics simulations

R Barciela, TS Mahadevan, F Quintero, J Pou… - Journal of Non …, 2024 - Elsevier
In this work, the role of structure size and interaction potential on the ductility and
mechanical properties of bulk glasses are extensively analyzed using molecular dynamics …