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Short-range structural signature of excess specific heat and fragility of metallic-glass-forming supercooled liquids

机译:金属玻璃形成的过冷液体的比热和脆性的短程结构特征

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摘要

Supercooled metallic liquids exhibit very different temperature (T) dependence of the excess specific heat (ΔC_p) and viscosity, profoundly influencing their glass-forming ability. Using two model glass-forming liquids in molecular dynamics simulation, here we demonstrate that their contrasting ΔC_p and relaxation/viscosity behavior has an underlying origin in their different T-dependent local structural ordering. Upon undercooling toward glass transition, a particularly stabilizing type of short-range ordering that accelerates with decreasing T leads to a steeply rising ΔC_p and higher fragility, whereas local motifs that merely respond to the densification of the liquids result in a weak T dependence of ΔC_p.
机译:过冷的金属液体对过量比热(ΔC_p)和粘度的温度(T)依赖性非常不同,极大地影响了它们的玻璃形成能力。在分子动力学模拟中使用两种模型化玻璃液体,我们证明了它们的对比ΔC_p和弛豫/粘度行为是其不同的T依赖性局部结构顺序的根本原因。在向玻璃化转变的过冷状态下,随着T的降低而加速的一种特别稳定的短程有序导致ΔC_p急剧上升和更高的脆性,而仅响应液体致密化的局部图案导致T对ΔC_p的依赖性较弱。

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  • 来源
    《Physical review》 |2012年第6期|p.060201.1-060201.5|共5页
  • 作者单位

    Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218, USA;

    Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218, USA;

    School of Physics, Astronomy and Computational Sciences, George Mason University, Fairfax, Virginia 22030, USA;

    Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218, USA;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    computer simulation of liquid structure;

    机译:液体结构的计算机模拟;

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