Browsing Atomistic Simulations by Author "Becker, Chandler A."
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Evaluating error with atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic constants
Hale, Lucas M.; Trautt, Zachary T.; Becker, Chandler A.Atomistic simulations using classical interatomic potentials are powerful investigative tools linking atomic structures to dynamic properties and behaviors. It is well known that different interatomic potentials produce ...