Composition-dependent stability of the medium-range order responsible for metallic glass formation
Source abstract
Abstract
Abstract The competition between the characteristic medium-range order corresponding to amorphous alloys and that in ordered crystalline phases is central to phase selection and morphology evolution under various processing conditions. We examine the stability of a model glass system, Cu–Zr, by comparing the energetics of various medium-range structural motifs over a wide range of compositions using first-principles calculations. We focus specifically on motifs that represent possible building blocks for competing glassy and crystalline phases, and we employ a genetic algorithm to efficiently identify the energetically favored decorations of each motif for specific compositions. Our results show that a Bergman-type motif with crystallization-resisting icosahedral symmetry is energetically most favorable in the composition range 0.63 x Cu
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Metallic Glasses and Amorphous Alloys · Glass properties and applications · Material Dynamics and Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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