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.
Papers
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Journal ArticleDOI
First-principles phase-stability study of fcc alloys in the Ti-Al system.
Mark Asta,Mark Asta,D. de Fontaine,D. de Fontaine,Mark van Schilfgaarde,Marcel H. F. Sluiter,Michael Methfessel +6 more
TL;DR: It is shown how the results of these calculations can be used to obtain a set of volume-dependent effective cluster interactions (ECI's) which parametrize the total energies of fcc-based Ti-Al alloys.
Journal ArticleDOI
Structural, vibrational, and thermodynamic properties of Al-Sc alloys and intermetallic compounds
Mark Asta,Vidvuds Ozoliņš +1 more
TL;DR: In this article, a theoretical study of the temperature-dependent structural and thermodynamic properties of solid-phase Al-Sc alloys and compounds based upon first-principles calculations of electronic free energies and ionic vibrational spectra is presented.
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First-principles calculations of bulk and interfacial thermodynamic properties for fcc-based Al-Sc alloys
TL;DR: In this article, the configurational thermodynamic properties of fcc-based Al-Sc alloys and coherent interphase-boundary interfaces have been calculated from first principles, combining the results of pseudopotential total energy calculations with a cluster-expansion description of the alloy energetics.
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Molecular-dynamics study of solid–liquid interface migration in fcc metals
TL;DR: In this paper, free-solidification molecular-dynamics simulations have been performed for a total of nine embedded atom method interatomic potentials describing pure Al, Cu and Ni.
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Phase stability and cohesive properties of Ti–Zn intermetallics: First-principles calculations and experimental results
TL;DR: In this article, the total energies and equilibrium cohesive properties of 48 intermetallics in the Ti-Zn system are calculated employing electronic density-functional theory (DFT), ultrasoft pseudopotentials and the generalized gradient approximation for the exchange-correlation energy.