5 citations · 10 across the 3 of their papers we have counts for
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First-principles calculations of the thermodynamic factor of multicomponent alloys
Damien K. J. Lee, Shashank Saxena, Anton Van der Ven +1
Computing non-dilute diffusion coefficients from Onsager transport coefficients of a multicomponent alloy requires the thermodynamic factor, which measures the curvature of the fre…
Long-term atomistic finite-temperature substitutional diffusion
Shashank Saxena, Prateek Gupta, Dennis M. Kochmann
Simulating long-term mass diffusion kinetics with atomic precision is important to predict chemical and mechanical properties of alloys over time scales of engineering interest in…
Finite-temperature grain boundary properties from quasistatic atomistics
Miguel Spínola, Shashank Saxena, Prateek Gupta +2
Grain boundary (GB) properties greatly influence the mechanical, electrical, and thermal response of polycrystalline materials. Most computational studies of GB properties at finit…
Finite-temperature surface elasticity of crystalline solids
Shashank Saxena, Miguel Spinola, Prateek Gupta +1
Surface energies and surface elasticity largely affect the mechanical response of nanostructures as well as the physical phenomenon associated with surfaces such as evaporation and…