8 citations · 8 across the 5 of their papers we have counts for
4 papers · 1 filter
Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations
Arnaud Allera, Thomas D. Swinburne, Alexandra M. Goryaeva +5
The activation entropy of dislocation glide, a key process controlling the strength of many metals, is often assumed to be constant or linked to enthalpy through the empirical Meye…
Robust crystal structure identification at extreme conditions using a density-independent spectral descriptor and supervised learning
Paul Lafourcade, Jean-Bernard Maillet, Christophe Denoual +4
The increased time- and length-scale of classical molecular dynamics simulations have led to raw data flows surpassing storage capacities, necessitating on-the-fly integration of s…
Neighbors Map: an Efficient Atomic Descriptor for Structural Analysis
Arnaud Allera, Alexandra M. Goryaeva, Paul Lafourcade +2
Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analy…
Synergistic coupling in ab initio-machine learning simulations of dislocations
Petr Grigorev, Alexandra M. Goryaeva, Mihai-Cosmin Marinica +2
Ab initio simulations of dislocations are essential to build quantitative models of material strength, but the required system sizes are often at or beyond the limit of existing me…