Zhiqin Du , Zhonghao Heng , Chen Jin , Shou Zhao , Jianghua Shen
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引用次数: 0
Abstract
Hydrogen diffusion in metals is of great significance for hydrogen embrittlement and requires comprehension on the atomic scale. In this study, molecular dynamics simulations are conducted to investigate hydrogen diffusion of atoms in α-Fe under different stresses. The increase in uniaxial tensile and compressive stress tends to reduce the diffusion coefficient, suppress the diffusion of hydrogen atoms in α-Fe, and lead to differences in diffusion behavior in different directions. The change in the migration barrier explains the differences in hydrogen atom diffusion behavior under different unidirectional stresses.
期刊介绍：
Materials Letters has an open access mirror journal Materials Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
Materials Letters is dedicated to publishing novel, cutting edge reports of broad interest to the materials community. The journal provides a forum for materials scientists and engineers, physicists, and chemists to rapidly communicate on the most important topics in the field of materials.
Contributions include, but are not limited to, a variety of topics such as:
• Materials - Metals and alloys, amorphous solids, ceramics, composites, polymers, semiconductors
• Applications - Structural, opto-electronic, magnetic, medical, MEMS, sensors, smart
• Characterization - Analytical, microscopy, scanning probes, nanoscopic, optical, electrical, magnetic, acoustic, spectroscopic, diffraction
• Novel Materials - Micro and nanostructures (nanowires, nanotubes, nanoparticles), nanocomposites, thin films, superlattices, quantum dots.
• Processing - Crystal growth, thin film processing, sol-gel processing, mechanical processing, assembly, nanocrystalline processing.
• Properties - Mechanical, magnetic, optical, electrical, ferroelectric, thermal, interfacial, transport, thermodynamic
• Synthesis - Quenching, solid state, solidification, solution synthesis, vapor deposition, high pressure, explosive
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