activity
20182023
most citedAssessment and optimization of the fast inertial relaxation engine (FIRE) for energy minimization in atomistic simulations and its implementation in LAMMPS

239 citations · 494 across the 15 of their papers we have counts for

collaborators

15 papers

cond-mat.mtrl-sci2023★ 1 cited

On the temperature and chemical dependency of prismatic stacking faults in C14 Laves phases

Zhuocheng Xie, Dimitri Chauraud, Erik Bitzek +2

Activation of non-basal slip is essential in improving the deformability of hexagonal crystals. However, the mechanism of non-basal slip remains largely unknown, especially for com…

cond-mat.mtrl-sci2023★ 24 cited

Thermally activated nature of synchro-Shockley dislocations in Laves phases

Zhuocheng Xie, Dimitri Chauraud, Achraf Atila +3

Synchro-Shockley dislocations, as zonal dislocation, are the major carrier of plasticity in Laves phases at high temperatures. The motion of synchro-Shockley dislocations is compos…

cond-mat.mtrl-sci2022

LEFM is agnostic to geometrical nonlinearities arising at atomistic crack tips

Tarakeshwar Lakshmipathy, Paul Steinmann, Erik Bitzek

Various fields such as mechanical engineering, materials science, etc., have seen a widespread use of linear elastic fracture mechanics (LEFM) at the continuum scale. LEFM is also…

cond-mat.mtrl-sci2022★ 11 cited

A new method for microscale cyclic crack growth characterization from notched microcantilevers and application to single crystalline tungsten and a metallic glass

S. Gabel, B. Merle, E. Bitzek +1

The lifetime of most metals is limited by cyclic loads, ending in fatigue failure. The progressive growth of cracks ends up in catastrophic failure. An advanced method is presented…

cond-mat.mtrl-sci2022★ 49 cited

Systematic Atomic Structure Datasets for Machine Learning Potentials: Application to Defects in Magnesium

Marvin Poul, Liam Huber, Erik Bitzek +1

We present a physically motivated strategy for the construction of training sets for transferable machine learning interatomic potentials. It is based on a systematic exploration o…

cond-mat.mtrl-sci2022★ 18 cited

The Origin of Deformation Induced Topological Anisotropy in Silica Glass

Sudheer Ganisetti, Achraf Atila, Julien Guénolé +4

Oxide glasses with a network structure are omnipresent in daily life. Often, they are regarded as isotropic materials; however, structural anisotropy can be induced through process…