Anisotropic kinetics of solid phase transition from first principles: alpha–omega phase transformation of Zr-Reference-Cited by-同舟云学术

Anisotropic kinetics of solid phase transition from first principles: alpha–omega phase transformation of Zr

Published:2016 Issue:6 Volume:18 Page:4527-4534
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Guan Shu-Hui¹²³⁴⁵,Liu Zhi-Pan¹²³⁴⁵

Affiliation:

1. Collaborative Innovation Center of Chemistry for Energy Material

2. Key Laboratory of Computational Physical Science (Ministry of Education)

3. Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials

4. Department of Chemistry

5. Fudan University

Abstract

First-principles stochastic surface walking pathway sampling method reveals the anisotropic solid phase transition pathways for the alpha-to-omega high-pressure phase transition of the metal Zr.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP07299A

Reference46 articles.

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4. L. D. Laudau and E. M.Lifshitz, Statistical Physics, Pergamon Press, Oxford, 1958

5. Omega phase in materials

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