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Dive into the research topics where Mark Asta is active.

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Featured researches published by Mark Asta.


Physical Review Letters | 1990

THERMODYNAMICS OF OXYGEN ORDERING IN YBa 2 Cu 3 O z

D. de Fontaine; G. Ceder; Mark Asta

It is shown that the (three-dimensional) tetragonal to orthorhombic transition in the 1-2-3 superconducting compound can be mapped onto a two-dimensional Ising model with anisotropic second neighbor effective pair interactions. The Cluster Variation Method (CVM) has been used to calculate a phase diagram based on interaction parameters provided by first principles linear muffin-tin orbital-atomic sphere approximation (LMTO-ASA) calculations performed by P. Sterne at Lawrence Livermore National Laboratory. At high temperature, agreement with experimental phase transition data is excellent. At low temperatures, two-dimensional ordering gives way to quasi one-dimensional states of order as described by the linear chain Ising model for which the thermodynamics are known exactly. Structures produced by Monte Carlo simulation and theoretical diffraction patterns are in striking agreement with recent experimental results.


Physical Review Letters | 1991

Comment on "Nucleated and continuous ordering in Cu3Au"

Mark Asta; G. Ceder; D. de Fontaine


Archive | 2018

Elastic Tensor Data

Maarten de Jong; Wei Chen; Thomas Angsten; Anubhav Jain; Randy Notestine; Anthony Gamst; M. Sluiter; Chaitanya Krishna Ande; Sybrand van der Zwaag; Jose J. Plata; Cormac Toher; Stefano Curtarolo; Gerbrand Ceder; Kristin A. Persson; Mark Asta; Hacking Materials


Archive | 2004

Equilibrium Solid-Liquid Interfacial Adsorption in Lennard-Jones Alloys

Claudia Becker; Mark Asta; J.J. Hoyt; Stephen M. Foiles


Archive | 1998

Liquid and Solid Short-Range-Order in Large Size-Mismatch Alloys

Dane Morgan; Jeffrey David Althoff; D. de Fontaine; Mark Asta; Stephen M. Foiles


Archive | 1997

Quasi--harmonic Calculations of the Vibrational and Thermodynamic Properties of Disordered Alloys

Jeffrey David Althoff; Dane Morgan; D. de Fontaine; Mark Asta; Stephen M. Foiles; Duane D. Johnson


Archive | 1996

Local Relaxation Effects in Large Size-Mismatch Transition Metal Alloys

Dane Morgan; D. de Fontaine; Mark Asta


TECHNA | 1995

First-Principles Thermodynamics of Alloys

D. de Fontaine; Mark Asta; R. McCormack; C. Wolverton


MRS Proceedings | 1992

Phase Transformations in Hexagonal-Close-Packed Alloys: Analysis with the Cluster Variation Method

R. McCormack; Mark Asta; Gerbrand Ceder; D. de Fontaine


Archive | 1990

CVM Approach to Alloy Theory: Joint Research Report, Monbusho International Scientific Research Program sponsored by the Japanese Ministry of Education, Science, and Culture

D. de Fontaine; Mark Asta; C. Wolverton; H. Dreyssé

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D. de Fontaine

University of California

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Dane Morgan

University of California

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G. Ceder

Massachusetts Institute of Technology

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Stephen M. Foiles

Sandia National Laboratories

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C. Wolverton

Northwestern University

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Gerbrand Ceder

University of California

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R. McCormack

University of California

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Anthony Gamst

University of California

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Anubhav Jain

University of California

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