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journal article·2022-09-01Open access

Molecular dynamic simulation of Cs corrosion in Cs oven for negative ion source applications

Yiqin Zhu, Jun Hu, Xin Zhang, Jie Huang, Yuhong Xu, Guangjiu Lei, Shaofei Geng, Heng Li, Zilin Cui, Xiaolong Li, Yuxiang Ni, Haifeng Liu, Xianqu Wang, Hai Liu, Jun Cheng, Junfeng Shen, Changjian Tang

AIP Advances· Volume 12· Issue 9
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Source abstract

Abstract

Molecular dynamic simulation is used to simulate the corrosion process of Fe or Ni in liquid Cs by Large-scale Atomic/Molecular Massively Parallel Simulator. The embedded-atom method potential is used to describe the interaction of Fe–Fe, Ni–Ni, and Cs–Cs, and Morse two-body potential is used to describe the Fe–Cs and Ni–Cs atomic interaction. Temperature is considered as a critical condition in this work. Results indicate that corrosion is easy to occur in the systems. The increase in temperature can help the process of Cs corrosion. Compared to the Ni–Cs system, the Fe–Cs system has a higher atomic concentration function. The radial distribution function shows that Cs atoms are dissolved into the substrates, but the Fe and Ni substrates are still crystalline structures. Moreover, Cs in Fe or Ni is still a liquid phase.
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Research context

Metals & alloys

OpenAlex topics: Particle accelerators and beam dynamics · Fusion materials and technologies · Nanopore and Nanochannel Transport Studies

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute of Fusion Science, School of Physical Science and Technology, Southwest Jiaotong University 1 , Chengdu 610041, People’s Republic of China

Southwestern Institute of Physics 2 , Chengdu 610041, People’s Republic of China

School of Physical Science and Technology, Southwest Jiaotong University 3 , Chengdu 610031, People’s Republic of China

School of Physical Science and Technology, Sichuan University 4 , Chengdu 610041, People’s Republic of China

Funding

Natural Science Foundation of Sichuan Province · Sichuan International Science and Technology Innovation Cooperation Project · National Key Research and Development Program of China

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