Items where Person is "Asta-M"

Article

Lanier, C. H. et al. (2007) Atomic-scale structure of the SrTiO3(001)-c(6×2) reconstruction: Experiments and first-principles calculations. Physical Review B, 76 (4). Art. No. 045421. ISSN 1098-0121 http://resolver.caltech.edu/CaltechAUTHORS:LANprb07

Ghosh, Gautam and van de Walle, Axel and Asta, Mark (2007) First-Principles Phase Stability Calculations of Pseudobinary Alloys of (Al,Zn)3Ti with L12, D022, and D023 Structures. Journal of Phase Equilibria and Diffusion, 28 (1). pp. 9-22. ISSN 1547-7037 http://resolver.caltech.edu/CaltechAUTHORS:GHOjped07

Liu, Jefferson Z. and van de Walle, A. and Asta, M. (2005) Structure, energetics, and mechanical stability of Fe-Cu bcc alloys from first-principles calculations. Physical Review B, 72 (14). Art. No. 144109. ISSN 1098-0121 http://resolver.caltech.edu/CaltechAUTHORS:LIUprb05

Benedek, R. et al. (2005) Partitioning of solutes in multiphase Ti–Al alloys. Physical Review B, 71 (9). Art. No. 094201. ISSN 1098-0121 http://resolver.caltech.edu/CaltechAUTHORS:BENprb05

Beck, M. J. and van de Walle, A. and Asta, M. (2004) Surface energetics and structure of the Ge wetting layer on Si(100). Physical Review B, 70 (20). Art. No. 205337. ISSN 1098-0121 http://resolver.caltech.edu/CaltechAUTHORS:BECprb04

van de Walle, A. and Asta, M. and Voorhees, P. W. (2003) First-principles calculation of the effect of strain on the diffusion of Ge adatoms on Si and Ge(001) surfaces. Physical Review B, 67 (4). Art. No. 041308(R). ISSN 0163-1829 http://resolver.caltech.edu/CaltechAUTHORS:WALprb03

van de Walle, A. and Asta, M. and Ceder, G. (2002) The Alloy Theoretic Automated Toolkit: A User Guide. CALPHAD - Computer Coupling of Phase Diagrams and Thermochemistry, 26 (4). pp. 539-553. ISSN 0364-5916 http://resolver.caltech.edu/CaltechAUTHORS:20111031-151612355

van de Walle, A. and Asta, M. (2002) Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams. Modelling and Simulation in Materials Science and Engineering, 10 (5). pp. 521-538. ISSN 0965-0393 http://resolver.caltech.edu/CaltechAUTHORS:WALmsmse02

van de Walle, A. and Asta, M. (2002) First-principles investigation of perfect and diffuse antiphase boundaries in HCP-based Ti-Al alloys. Metallurgical and Material Transactions A, 33 (3). pp. 735-741. ISSN 1073-5623 http://resolver.caltech.edu/CaltechAUTHORS:20111104-124631983

Book Section

van de Walle, Axel and Asta, Mark (2005) First-Principles Modeling of Phase Equilibria. In: Handbook of Materials Modeling. Springer , Dordrecht, pp. 1-17. ISBN 1402032862 http://resolver.caltech.edu/CaltechAUTHORS:20110815-150246692