61 citations · 145 across the 8 of their papers we have counts for
8 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…
First-Principles Thermodynamics of AlV: An Analytical Treatment of Localized Anharmonic Modes
Hassan Y. Albuhairan, Marek Mihalkovič, Michael Widom
Many complex intermetallic structures possess cage-like environments that can host additional guest atoms. In AlV, these atoms give rise to low-frequency, localized vibratio…
Decagonal Sn clathrate on -Al-Ni-Co
Vipin Kumar Singh, Eva Pospisilova, Marek Mihalkovič +8
Decagonal quasiperiodic ordering of Sn thin film on -Al-Ni-Co, is shown based on scanning tunneling microscopy (STM), low-energy electron diffraction and density functional theo…
Empirical oscillating potentials for alloys from ab-initio fits and the prediction of quasicrystal-related structures in the Al-Cu-Sc system
M. Mihalkovic, C. L. Henley
By fitting to a database of ab-initio forces and energies, we can extract pair potentials for alloys, with a simple six-parameter analytic form including Friedel oscillations, whic…
Structure and stability of AlFe
M. Mihalkovič, M. Widom
We employ first principles total energy and phonon calculations to address the structure and stability of AlFe. This structure, which is reported as stable in the assessed Al-F…
Empirical oscillating potentials for alloys from ab-initio fits
M. Mihalkovič, C. L. Henley, M. Widom +1
By fitting to a database of ab-initio forces and energies, we can extract pair potentials for alloys, with a simple six-parameter analytic form including Friedel oscillations, whic…