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中国物理学会期刊

FeNiCr中熵合金氢致裂纹扩展的原子尺度研究

Atomic-Scale Study of Hydrogen-assisted Crack Propagation in FeNiCr Medium Entropy Alloy

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  • 本研究通过分子动力学模拟与理论建模,探究了FeNiCr中熵合金中氢致裂纹扩展的机制,重点分析了氢浓度、化学短程有序(CSRO)和晶体取向对裂纹尖端塑性的影响。基于扩展的Rice-Beltz理论框架,发现氢提高了位错发射的能垒,从而抑制了裂纹尖端的塑性变形。与无序固溶体相比,CSRO不仅能提高位错形核的临界应力强度因子,还可引导氢在裂纹尖端发生偏聚,形成氢气团。此外,氢对位错运动具有双重影响,低氢浓度下氢促进位错滑移,而在高浓度下氢气团对位错具有钉扎效应,使位错线形态趋于不规则。

    This study investigates the hydrogen-assisted crack propagation mechanisms in FeNiCr medium-entropy alloys (MEAs) through molecular dynamics (MD) simulations and modeling, focusing on the roles of hydrogen concentration, chemical short-range ordering (CSRO), crystallographic orientation, and loading rate. By extending the Rice-Thomson framework, we demonstrate that hydrogen increases the energy barrier for dislocation emission, suppressing crack-tip plasticity. Compared to random solid solutions, CSRO-structured FeNiCr alloys exhibit a higher critical stress intensity factor for dislocation nucleation and promote hydrogen segregation near the crack tip to form hydrogen atmosphere. At lower hydrogen concentrations, hydrogen facilitates dislocation glide, consistent with the hydrogen-enhanced localized plasticity (HELP) mechanism. At elevated concentrations, however, hydrogen atmosphere strongly pins dislocations, leading to markedly irregular dislocation lines.

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