Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 111, Issue 39, Pages 14052-14056Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1412095111
Keywords
liquid-like regions; heterogeneity; structure-property relationship; uncommon motifs; shear transformation zones
Categories
Funding
- US Department of Energy, Basic Energy Science, Division of Materials Sciences and Engineering [DE-FG02-09ER46056]
- Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy
- US National Science Foundation [DMR-1107838]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1107838] Funding Source: National Science Foundation
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In a 3D model mimicking realistic Cu64Zr36 metallic glass, we uncovered a direct link between the quasi-localized low-frequency vibrational modes and the local atomic packing structure. We also demonstrate that quasi-localized soft modes correlate strongly with fertile sites for shear transformations: geometrically unfavored motifs constitute the most flexible local environments that encourage soft modes and high propensity for shear transformations, whereas local configurations preferred in this alloy, i.e., the full icosahedra (around Cu) and Z16 Kasper polyhedra (around Zr), contribute the least.
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