density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1
From the 1 of 114 papers with an AI index.
29.3k citations
- Los Alamos National LaboratoryUS28 papers
- United States Naval Research LaboratoryUS11 papers
- Naval Research Laboratory Laboratories for Computational Physics & Fluid Dynamics8 papers
- University of ArizonaUS8 papers
- Goddard Space Flight CenterUS7 papers
- Joint Institute for Nuclear AstrophysicsUS7 papers
- The University of TokyoJP7 papers
- University of New MexicoUS7 papers
- Graz University of TechnologyAT6 papers
- Heidelberg UniversityDE6 papers
- Centre National de la Recherche ScientifiqueFR5 papers
- ETH ZurichCH5 papers
Showing 2019 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2019★ 39 cited
A 3D phase field dislocation dynamics model for body-centered cubic crystals
Xiaoyao Peng, Nithin Mathew, Irene J. Beyerlein +2
In this work, we present a 3D Phase Field Dislocation Dynamics (PFDD) model for body-centered cubic (BCC) metals. The model formulation is extended to account for the dependence of…
cond-mat.mtrl-sci2019★ 212 cited
Novel MAB phases and insights into their exfoliation into 2D MBenes
Mohammad Khazaei, Junjie Wang, Mehdi Estili +5
Considering the recent breakthroughs in the synthesis of novel two-dimensional (2D) materials from layered bulk structures, ternary layered transition metal borides, known as MAB p…