3 papers
cond-mat.mtrl-sci2024
Atomistic-informed phase field modeling of magnesium twin growth by disconnections
Yang Hu, Dennis M. Kochmann, Brandon Runnels
The nucleation and propagation of disconnections play an essential role during twin growth. Atomistic methods can reveal such small structural features on twin facets and model the…
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…
cond-mat.mtrl-sci2023
Facet and energy predictions in grain boundaries: lattice matching and molecular dynamics
Bruno Dobrovolski, C. Braxton Owens, Gus L. W. Hart +2
Many material properties can be traced back to properties of their grain boundaries. Grain boundary energy (GBE), as a result, is a key quantity of interest in the analysis and mod…