铬和钒对钨中氢和氦行为的影响

IF 1.9 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Mathematical & Computational Applications Pub Date : 2023-07-03 DOI:10.3390/mca28040081

Meicong Li, Zheng Zhang, Yang Li, Qiang Zhao, Mei Huang, Xiaoping Ouyang

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引用次数: 0

摘要

钨是一种很有前途的核聚变反应堆材料，但其性能可能会因核反应产生的氢（H）和氦（He）同位素的积累而降低。本研究利用第一性原理计算研究了铬（Cr）和钒（V）对钨（W）中氢和氦行为的影响。结果表明，添加Cr和V后，W变得更容易加工。添加V后，稳定性提高。添加Cr对H和He在W中的扩散产生负面影响，而V促进了扩散。在1.769Å以上的距离内，H和Cr或H和V之间存在吸引，但在1.583Å以下存在排斥。He与Cr或V之间总是存在吸引力。空位与He之间的吸引力强于He与Cr或V之间的吸引力。当W中空位与Cr或V共存时，对H没有明显的影响。空位可以稀释Cr和V对W中H和He的影响。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Effect of Chrome and Vanadium on the Behavior of Hydrogen and Helium in Tungsten

Tungsten is a promising material for nuclear fusion reactors, but its performance can be degraded by the accumulation of hydrogen (H) and helium (He) isotopes produced by nuclear reactions. This study investigates the effect of chrome (Cr) and vanadium (V) on the behavior of hydrogen and helium in tungsten (W) using first-principles calculations. The results show W becomes easier to process after adding Cr and V. Stability improves after adding V. Adding Cr negatively impacts H and He diffusion in W, while V promotes it. There is attraction between H and Cr or H and V for distances over 1.769 Å but repulsion below 1.583 Å. There is always attraction between He and Cr or V. The attraction between vacancies and He is stronger than that between He and Cr or V. There is no clear effect on H when vacancies and Cr or V coexist in W. Vacancies can dilute the effects of Cr and V on H and He in W.

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来源期刊

Mathematical & Computational Applications MATHEMATICS, INTERDISCIPLINARY APPLICATIONS-

自引率

10.50%

发文量

审稿时长

12 weeks

期刊介绍： Mathematical and Computational Applications (MCA) is devoted to original research in the field of engineering, natural sciences or social sciences where mathematical and/or computational techniques are necessary for solving specific problems. The aim of the journal is to provide a medium by which a wide range of experience can be exchanged among researchers from diverse fields such as engineering (electrical, mechanical, civil, industrial, aeronautical, nuclear etc.), natural sciences (physics, mathematics, chemistry, biology etc.) or social sciences (administrative sciences, economics, political sciences etc.). The papers may be theoretical where mathematics is used in a nontrivial way or computational or combination of both. Each paper submitted will be reviewed and only papers of highest quality that contain original ideas and research will be published. Papers containing only experimental techniques and abstract mathematics without any sign of application are discouraged.