3 citations · 3 across the 3 of their papers we have counts for
4 papers
Reversible non-equilibrium phase transformation in amorphous germanium
Yang Huang, Marek Mihalkovič, Michael Widom
First principles molecular dynamics simulations of germanium reveal a reversible liquid-glass transition below the equilibrium melting point with a wide hysteresis loop. Direct cal…
Vibrational Entropy and Free Energy of Solid Lithium using Covariance of Atomic Displacements Enabled by Machine Learning
Mgcini Keith Phuthi, Yang Huang, Michael Widom +1
Vibrational properties of solids are key to determining stability, response and functionality. However, they are challenging to computationally predict at Ab-Initio accuracy, even…
Simulated structure and thermodynamics of decagonal Al-Co-Cu quasicrystals
Y. Huang, M. Widom, M. Mihalkovič
Atomic structures of Al-Co-Cu decagonal quasicrystals (QCs) are investigated using empirical oscillating pair potentials (EOPP) in molecular dynamic (MD) simulations that we enhanc…
Entropy approximations for simple fluids
Yang Huang, Michael Widom
Liquid state entropy formulas based on configurational probability distributions are examined for Lennard-Jones fluids across a range temperatures and densities. These formulas are…