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
Showing 2022 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

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…

cond-mat.mtrl-sci2022★ 19 cited

Unveiling the mechanisms of motion of synchro-Shockley dislocations in Laves phases

Zhuocheng Xie, Dimitri Chauraud, Achraf Atila +3

In Laves phases, synchroshear is the dominant basal slip mechanism. It is accomplished by the glide of synchro-Shockley dislocations. However, the atomic-scale mechanisms of motion…

cond-mat.mtrl-sci2022★ 37 cited

Structural reorientation and compaction of porous MoS2 coatings during wear testing

Sebastian Krauß, Armin Seynstahl, Stephan Tremmel +7

Industrial upscaling frequently results in a different coating microstructure than the laboratory prototypes presented in the literature. Here, we investigate the wear behavior of…