3 papers
cond-mat.mtrl-sci2026
First-Principles Investigation of the Al-V Phase Diagram
AKM Sadman Mahmud, Hassan Albuhairan, Marek Mihalkovic +1
The Al-V alloy system contains a number of phases including several with complex structures and at least two exhibiting sites of partial occupation. Through electronic density func…
cond-mat.str-el2026
Atomic structure and formation mechanism of a newly discovered charge density wave in the m=2 monophosphate tungsten bronze
Arianna Minelli, Elen Duverger-Nedellec, Olivier Perez +6
The =2 member of the monophosphate tungsten bronze family has been considered the only one in the family without an electronic instability at low temperature. In this paper, we…
cond-mat.mtrl-sci2024
Simulated structure and thermodynamics of decagonal Al-Co-Cu quasicrystals
Y. Huang, M. Widom, M. MihalkoviÄ
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…