Nonlinear diffusion, bonding, and mechanics of the interface between austenitic steel and iron

文献情報

出版日 2018-12-12

DOI 10.1039/C8CP07123C

インパクトファクター 3.676

著者

Qin Qin, Wei He, Lu Xie, Junchao Deng, Xuehui Zhu, Qing Peng

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要旨

We investigate the atomic diffusivity and mechanics of the interface between bulk austenitic steel (fcc structure) and bcc iron at various temperatures and strain rates using molecular dynamics simulations. We adopt the system of Fe74Cr16Ni10 corresponding to 316L steel as a representative model of austenitic steels, denoted as FeCrNi. We find that the compressive strength of the FeCrNi/Fe system decreases by 44.3% and the corresponding strain decreases by 7.2% when the temperature increases from 1500 K to 1800 K. The temperature enhances nonlinearly the diffusion of interfacial atoms and improves the cohesion of FeCrNi/Fe by forming a thicker diffusion layer, of which the thickness increases by 56.3% when the temperature increases from 1600 K to 1700 K, and by nearly 48% when the temperature increases from 1700 K to 1800 K. However, the thickness of the diffusion layer decreases by 33.3% when the compressive strain rate increases from 1 × 109 s−1 to 4 × 109 s−1. Our study sheds light on the atomistic mechanism of the interfaces of bimetals and might be helpful in optimizing the process of the fabrication of bimetal composites.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Nonlinear diffusion, bonding, and mechanics of the interface between austenitic steel and iron

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