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cond-mat.mtrl-sci2025
Elastic tensor-derived properties of composition-dependent disordered refractory binary alloys using DFPT
Surya T. Bijjala, Susan R. Atlas, Pankaj Kumar
The elastic tensor provides valuable insight into the mechanical behavior of a material with lattice strain, such as disordered binary alloys. Traditional stress-strain methods hav…
cond-mat.mtrl-sci2007★ 1 cited
Environment Dependent Charge Potential for Water
Krishna Muralidharan, Steven M. Valone, Susan R. Atlas
We present a new interatomic potential for water captured in a charge-transfer embedded atom method (EAM) framework. The potential accounts for explicit, dynamical charge transfer…