M
Mark Asta
Researcher at University of California, Berkeley
Publications - 397
Citations - 28320
Mark Asta is an academic researcher from University of California, Berkeley. The author has contributed to research in topics: Density functional theory & Dislocation. The author has an hindex of 78, co-authored 371 publications receiving 22116 citations. Previous affiliations of Mark Asta include Northwest University (United States) & University of California, Los Angeles.
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Vacancy formation energies in metals: A comparison of MetaGGA with LDA and GGA exchange–correlation functionals
Bharat Medasani,Maciej Haranczyk,Andrew Canning,Andrew Canning,Mark Asta,Mark Asta,Mark Asta +6 more
TL;DR: In this article, the results of density-functional-theory based calculations of the vacancy formation energies in metals using the revised Tao-Perdew-Staroverov-Scuseria (revTPSS) functional were reported.
Posted Content
Second-Nearest-Neighbor Correlations from Connection of Atomic Packing Motifs in Metallic Glasses and Liquids
TL;DR: In this article, the atomic correlations characterizing the second peak in the radial distribution function (RDF) of metallic glasses and liquids were analyzed from the perspective of different connection schemes of atomic packing motifs.
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Phase diagram and low-temperature behavior of oxygen ordering in YBa 2 Cu 3 O z using ab initio interactions
G. Ceder,Mark Asta,W. C. Carter,M. Kraitchman,D. de Fontaine,Michael E. Mann,Marcel H. F. Sluiter +6 more
TL;DR: It is shown that saturation of some pair-correlation functions at low temperature to a concentration-independent value makes the model quasi-one-dimensional and provides a simple argument for the existence of a low-temperature, low-O-concentration, orthorhombic phase.
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Determination of the solid-liquid interfacial free energy along a coexistence line by Gibbs-Cahn integration
TL;DR: The orientational anisotropy in the excess interface energy, stress and entropy, calculated using the conventional Gibbs dividing surface, are seen to be significantly larger than the relatively small anisotropies in gamma(sl) itself.
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Atomistic characterization of the Cu–Pb solid–liquid interface
TL;DR: In this paper, an embedded atom model (EAM) and molecular-dynamics simulation was used to examine the equilibrium interface between solid Cu and liquid Pb at a temperature just above the melting point of Pb (625 K).