[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 …
Revealing hidden medium-range order in silicate glass formers using many-body correlation functions
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 …
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 …
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 …
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 …
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 …
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 …
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 …
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
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 …
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
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 …
mechanical properties of bulk glasses are extensively analyzed using molecular dynamics …