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Items where Person is "Asta-Mark"

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Number of items: 13.

2016

Chen, Wei and Pöhls, Jan-Hendrik and Hautier, Geoffroy et al. (2016) Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment. Journal of Materials Chemistry C, 4 (20). pp. 4414-4426. ISSN 2050-7526. http://resolver.caltech.edu/CaltechAUTHORS:20160624-111709326

Aydemir, Umut and Pöhls, Jan-Hendrik and Zhu, Hong et al. (2016) YCuTe_2: a member of a new class of thermoelectric materials with CuTe_4-based layered structure. Journal of Materials Chemistry A, 4 (7). pp. 2461-2472. ISSN 2050-7488. http://resolver.caltech.edu/CaltechAUTHORS:20160208-104632713

2015

Zhu, Hong and Hautier, Geoffroy and Aydemir, Umut et al. (2015) Computational and experimental investigation of TmAgTe_2 and XYZ_2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening. Journal of Materials Chemistry C, 3 (40). pp. 10554-10565. ISSN 2050-7526. http://resolver.caltech.edu/CaltechAUTHORS:20151113-075252916

2007

Lanier, C. H. and van de Walle, A. and Erdman, N. 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

2005

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. and van de Walle, A. and Gerstl, S. S. A. 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

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

2004

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

2003

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

2002

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

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