3 papers
cond-mat.dis-nn2025
Predicting temperature-dependent failure and transformation zones in 2D silica glass through quasistatic Gaussian Phase Packets
Miguel Spínola, Shashank Saxena, Franz Bamer +1
The athermal quasistatic (AQS) method is a powerful technique to study the mechanical behavior of disordered systems. However, its applicability is limited to temperatures near zer…
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2024
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…