Yiqing Chen , Xiaoqian Fu , Zhanming Cheng , Guang Yang , Bin Zhong , Fangfang Ai , Hongyu San , Yucheng Ji , Chaofang Dong
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引用次数: 0
Abstract
Fe/H2O/Cl reaction force field molecular dynamics simulations were employed to study the transient processes of surficial oxidation and corrosion. Under 300 K, it was found that significant oxidation occurred on the (100) and (111), while the (110) remained stable. Based on the radial distribution functions, Fe oxide film primarily consisted of Fe2O3, with intermediate layers resembling Fe3O4 and inner layers similar to FeO. After Cl participated in the reaction, the Fe (110) underwent significant oxidation, Cl did not enter the Fe matrix, but accelerated the O penetration.
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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