LOCAL ORDER OF LIQUID AND UNDERCOOLED TRANSITION METAL BASED SYSTEMS: AB INITIO MOLECULAR DYNAMICS STUDY

DOI10.1142/S0217984906011177MaRDI QIDQ5481962zbMATH OpenOpenAlexFDO

Authors Noel Jakse, Alain Pasturel

Publication date 24 August 2006

Published in Modern Physics Letters B (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1142/s0217984906011177

zbMATH Keywords

ab initio simulationsinherent structureslocal structuremetallic liquidsundercooling

Mathematics Subject Classification ID

Phase transitions (general) in equilibrium statistical mechanics (82B26) Statistical mechanics of liquids (82D15) Statistical mechanics of metals (82D35)

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(4)

• Configurational constraints on glass formation in the liquid calcium aluminate system
• \(Ab\) \(initio\) molecular dynamics simulation of the atom packing and density of Al-Ni amorphous alloys
• Short-to-medium-range order in \(\text{Mg}_{65}\text{Cu}_{25}\text{Y}_{10}\) metallic glass
• Structural evolution of Cu during rapid quenching by ab initio molecular dynamics

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