2 papers
cond-mat.mtrl-sci2025
Kinetic Monte Carlo prediction of the morphology of pentaerythritol tetranitrate
Jacob Jeffries, Himanshu Singh, Romain Perriot +3
In this work, we develop an atomistic, graph-based kinetic Monte Carlo (KMC) simulation routine to predict crystal morphology. Within this routine, we encode the state of the super…
cond-mat.mtrl-sci2025
Prediction of defect properties in concentrated solid solutions using a Langmuir-like model
Jacob Jeffries, Fadi Abdeljawad, Suveen Mathaudhu +2
The alleged existence of sluggish diffusion in high entropy alloys has drawn controversy. In high entropy alloys, and in general in all solids, transport properties are controlled…