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cond-mat.mtrl-sci2026
Reversible non-equilibrium phase transformation in amorphous germanium
Yang Huang, Marek MihalkoviÄ, 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…
cond-mat.mtrl-sci2025
First-Principles Thermodynamics of AlV: An Analytical Treatment of Localized Anharmonic Modes
Hassan Y. Albuhairan, Marek MihalkoviÄ, 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…
cond-mat.mtrl-sci2024
First principles investigation of phase stability in the B-Pt alloy system
Michael Widom
The B-Pt alloy system contains several Pt-rich phases exhibiting complex structures, many with partial site occupation. It also exhibits a deep (nearly 1000 degrees C) eutectic. We…