Weak crystallization theory of metallic alloys
Abstract
Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theory cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. In this paper, we identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. Finally, as an application, we find the condition for stability ofmore »
- Authors:
-
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Harvard Univ., Cambridge, MA (United States). Dept. of Physics; California Inst. of Technology (CalTech), Pasadena, CA (United States). Dept. of Physics
- Harvard Univ., Cambridge, MA (United States). Dept. of Physics
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States); Harvard Univ., Cambridge, MA (United States); California Institute of Technology (CalTech), Pasadena, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
- OSTI Identifier:
- 1356629
- Alternate Identifier(s):
- OSTI ID: 1258310
- Grant/Contract Number:
- AC02-06CH11357; DMR-1308435
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 93; Journal Issue: 23; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Citation Formats
Martin, Ivar, Gopalakrishnan, Sarang, and Demler, Eugene A. Weak crystallization theory of metallic alloys. United States: N. p., 2016.
Web. doi:10.1103/PhysRevB.93.235140.
Martin, Ivar, Gopalakrishnan, Sarang, & Demler, Eugene A. Weak crystallization theory of metallic alloys. United States. https://doi.org/10.1103/PhysRevB.93.235140
Martin, Ivar, Gopalakrishnan, Sarang, and Demler, Eugene A. Mon .
"Weak crystallization theory of metallic alloys". United States. https://doi.org/10.1103/PhysRevB.93.235140. https://www.osti.gov/servlets/purl/1356629.
@article{osti_1356629,
title = {Weak crystallization theory of metallic alloys},
author = {Martin, Ivar and Gopalakrishnan, Sarang and Demler, Eugene A.},
abstractNote = {Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theory cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. In this paper, we identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. Finally, as an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.},
doi = {10.1103/PhysRevB.93.235140},
journal = {Physical Review B},
number = 23,
volume = 93,
place = {United States},
year = {Mon Jun 20 00:00:00 EDT 2016},
month = {Mon Jun 20 00:00:00 EDT 2016}
}
Web of Science
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