Interplay between vacancy-induced hydrogen segregation and stress-induced vacancy redistribution causing embrittlement of alpha-iron.

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Tác giả: Ryosuke Matsumoto, Mugilgeethan Vijendran

Ngôn ngữ: eng

Ký hiệu phân loại: 972.8202 *Central America

Thông tin xuất bản: United States : Science and technology of advanced materials , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 213016

This study proposes a novel mechanism of intergranular fracture in alpha-iron, focusing on the effects of trapped vacancies, H atoms, and their synergistic interplay under tensile strain. We present a methodology for the introduction of H into grain boundaries (GBs) resulting in a realistic distribution by considering H-H interactions. Accordingly, optimal H concentrations were determined under specific environmental conditions for GBs with and without vacancy-induced segregation under zero and 2% tensile strain, respectively. Subsequently, the reduction in cohesive energy at GBs was evaluated at the optimal H concentration under these conditions. In the case of H segregation without vacancies at zero applied strain, the reduction in the cohesive energy ranged approximately from 15% to 35% for all the GB configurations. Eventually, vacancy segregation increased H concentration at the GBs, defined as vacancy-induced H segregation. The vacancy-induced H segregation resulted in a 60-117% increase in H concentration and a 70-80% decrease in cohesive energy at a vacancy concentration of
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