Thermal expansion anisotropy of Fe23Mo16 and Fe7Mo6 μ-phases predicted using first-principles calculations-Reference-Cited by-同舟云学术

Thermal expansion anisotropy of Fe₂₃Mo₁₆ and Fe₇Mo₆ μ-phases predicted using first-principles calculations

Published:2024 Issue:4 Volume:26 Page:3482-3499
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Vasilyev Dmitry¹^ORCID

Affiliation:

1. Baikov Institute of Metallurgy and Materials Science of RAS, Leninsky Prospekt 49, 119334, Moscow, Russia

Abstract

This work predicts that Fe7Mo6 μ-phase exhibits negative thermal expansion. That is, the energy increases more slowly during compression than during expansion of a solid. A method allowing to reduce the problem to a one-dimensional case is used.

Funder

Russian Foundation for Basic Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP04266A

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