Universal localization transition accompanying glass formation: insights from efficient molecular dynamics simulations of diverse supercooled liquids

Soft Matter ◽  
2019 ◽  
Vol 15 (6) ◽  
pp. 1223-1242 ◽  
Author(s):  
Jui-Hsiang Hung ◽  
Tarak K. Patra ◽  
Venkatesh Meenakshisundaram ◽  
Jayachandra Hari Mangalara ◽  
David S. Simmons
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
High Throughput ◽  
Glass Formation ◽  
Supercooled Liquids ◽  
Localization Transition ◽  
Glass Forming ◽  
Particle Localization ◽  
Dynamics Simulations ◽  
Universal Localization

High-throughput simulations reveal a universal onset of particle localization in diverse glass-forming liquids.

scholarly journals Efficient swap algorithms for molecular dynamics simulations of equilibrium supercooled liquids

2019 ◽  
Vol 2019 (6) ◽  
pp. 064004 ◽  
Author(s):  
Ludovic Berthier ◽  
Elijah Flenner ◽  
Christopher J Fullerton ◽  
Camille Scalliet ◽  
Murari Singh
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Supercooled Liquids ◽  
Dynamics Simulations

Revisiting the Stokes–Einstein relation for glass-forming melts

2020 ◽  
Vol 22 (4) ◽  
pp. 2557-2565 ◽  
Author(s):  
Qi-Long Cao ◽  
Pan-Pan Wang ◽  
Duo-Hui Huang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Einstein Relation ◽  
Glass Forming ◽  
Dynamics Simulations

Molecular dynamics simulations of Ni36Zr64, Cu65Zr35 and Ni80Al20 were carried out over a broad range of temperature (900–3000 K) to investigate the Stokes–Einstein (SE) relation for glass-forming melts.

Glass-forming region of the Ni–Nb–Ta ternary metal system determined directly from n-body potential through molecular dynamics simulations

2009 ◽  
Vol 24 (5) ◽  
pp. 1815-1819 ◽  
Author(s):  
Y. Dai ◽  
J.H. Li ◽  
X.L. Che ◽  
B.X. Liu
Keyword(s):  
Molecular Dynamics ◽  
Solid Solution ◽  
Molecular Dynamics Simulations ◽  
Crystalline Solid ◽  
Metal System ◽  
Glass Forming ◽  
Solution Models ◽  
Ternary Metal ◽  
Dynamics Simulations ◽  
Body Potential

An n-body Ni–Nb–Ta potential is constructed to conduct molecular dynamics simulations using 129 solid solution models with various compositions. Comparing the relative stability of solid solutions versus their disordered counterparts, simulations determine two critical solid-solubility lines, which define a region in the composition triangle. If an alloy is located inside the defined region, a disordered state is energetically favored; if it is located outside, a crystalline solid solution is preserved. The region is therefore named as the metallic glass-forming region.

Sign in / Sign up

Export Citation Format

Share Document