Strong correlation of atomic thermal motion in the first coordination shell of a Cu-Zr metallic glass

Journal Article · Mon Feb 25 00:00:00 EST 2013 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4792752· OSTI ID:22162757

Zhang, Y.; Mattern, N. ^[1]; Eckert, J. ^[1]

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1. IFW Dresden, Institut fuer Komplexe Materialien, Helmholtzstrasse 20, D-01069 Dresden (Germany)

We demonstrate a strong correlation of atomic thermal motions in the first coordination shell of Cu{sub 50}Zr{sub 50} metallic glass using molecular dynamics simulations, which explains directly the small thermal expansion coefficient calculated by the first maxima of pair correlation functions. The vibrational anisotropy in the glass is found to be even higher than in crystalline copper. The parallel-perpendicular anisotropy gradually decreases upon heating. The anisotropy in Zr-Zr is the strongest bonds among all the interatomic bonds, which is also very stable near the glass transition at 700 K. Structurally, the anisotropy can be correlated to Cu-centered (0 2 8 1) clusters.

• OSTI ID: 22162757
• Journal Information: Applied Physics Letters, Vol. 102, Issue 8; Other Information: (c) 2013 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
36 MATERIALS SCIENCE
ANISOTROPY
CHEMICAL BONDS
COPPER
COPPER ALLOYS
CORRELATION FUNCTIONS
CORRELATIONS
METALLIC GLASSES
MOLECULAR DYNAMICS METHOD
SIMULATION
THERMAL EXPANSION
ZIRCONIUM ALLOYS