Mechanism of void formation in high-density supercooled melts and amorphous alloys at negative external pressure

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids Pub Date : 2025-05-22 DOI:10.1016/j.jnoncrysol.2025.123605

Bulat N. Galimzyanov, Anatolii V. Mokshin

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引用次数: 0

Abstract

Thermodynamic aspects of the void formation process are considered in detail on the basis of molecular dynamics simulation results. As an example, the comprehensive stretching of Cu_64.5Zr_35.5 and Ni₆₂Nb₃₈ at different supercooling levels is considered. Comprehensive stretching was performed by applying a constant negative external pressure. Within the framework of classical nucleation theory, new expressions have been obtained which correctly reproduce the critical size of voids and the Gibbs free energy as functions of supercooling. For the first time it was found that the critical size of the voids takes extremely small values — it is comparable to the size of the point defects, and the waiting time for the appearance of these voids does not exceed hundred picoseconds. General regularities of void formation have been revealed, suggesting the possibility of developing a unified theoretical description of void formation processes in supercooled melts and amorphous solids.

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负外压下高密度过冷熔体和非晶合金空穴形成机制

在分子动力学模拟结果的基础上，详细讨论了孔隙形成过程的热力学方面。以Cu64.5Zr35.5和Ni62Nb38在不同过冷水平下的综合拉伸为例。通过施加恒定的负外部压力进行全面拉伸。在经典成核理论的框架内，得到了新的表达式，正确地再现了真空的临界尺寸和吉布斯自由能作为过冷的函数。研究人员首次发现，这些空洞的临界尺寸非常小，与点缺陷的尺寸相当，而且这些空洞出现的等待时间不超过100皮秒。揭示了空洞形成的一般规律，提出了对过冷熔体和非晶固体中空洞形成过程进行统一理论描述的可能性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Non-crystalline Solids 工程技术-材料科学：硅酸盐

CiteScore

6.50

自引率

11.40%

发文量

576

审稿时长

35 days

期刊介绍： The Journal of Non-Crystalline Solids publishes review articles, research papers, and Letters to the Editor on amorphous and glassy materials, including inorganic, organic, polymeric, hybrid and metallic systems. Papers on partially glassy materials, such as glass-ceramics and glass-matrix composites, and papers involving the liquid state are also included in so far as the properties of the liquid are relevant for the formation of the solid. In all cases the papers must demonstrate both novelty and importance to the field, by way of significant advances in understanding or application of non-crystalline solids; in the case of Letters, a compelling case must also be made for expedited handling.