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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

CSTR: 32037.14.aps.75.20251771

Atomic-scale study of hydrogen-assisted crack propagation in FeNiCr medium entropy alloy

CSTR: 32037.14.aps.75.20251771
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  • 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, 研究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不仅可以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产生钉扎效应, 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, focusing on the roles of hydrogen concentration, chemical short-range ordering (CSRO), crystallographic orientation, and loading rate. By extending the Rice-Thomson framework, it is demonstrated 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 a hydrogen atmosphere. At lower hydrogen concentrations, hydrogen facilitates dislocation glide, consistent with the hydrogen-enhanced localized plasticity (HELP) mechanism. At elevated concentrations, however, the hydrogen atmosphere strongly pins dislocations, leading to highly tortuous dislocation lines.

     

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