Retention, sputtering and surface chemistry at tungsten oxide surface facing deuterium plasma

IF 3.2 2区工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Journal of Nuclear Materials Pub Date : 2025-02-01 Epub Date: 2025-01-09 DOI:10.1016/j.jnucmat.2025.155622

Meral Sharkass , Swarit Dwivedi , Yun Kyung Shin , Martin Nieto-Perez , Adri C.T. van Duin , Predrag S. Krstic

{"title":"Retention, sputtering and surface chemistry at tungsten oxide surface facing deuterium plasma","authors":"Meral Sharkass , Swarit Dwivedi , Yun Kyung Shin , Martin Nieto-Perez , Adri C.T. van Duin , Predrag S. Krstic","doi":"10.1016/j.jnucmat.2025.155622","DOIUrl":null,"url":null,"abstract":"<div><div>Our study investigates the response of an oxidized tungsten surface to deuterium irradiation in the 5–120 eV impact energy range. Using the LAMMPS molecular dynamics tool and a ReaxFF force field, we analyze the retention, reflection, sputtering, and surface chemistry of oxidized layers at various thicknesses at room temperature. These layers, formed on the tungsten (001) surface through cumulative oxygen irradiation, show that most reflected D atoms and sputtered O atoms originate in the oxide ad-layer, not reaching the W-bulk. The retention probability of D atoms is notably high at the lowest energies, decreasing with energy and approaching metallic tungsten values at higher energies. Our findings, which are compared with those of metallic tungsten and existing literature, provide valuable insights into the behavior of oxidized tungsten surfaces under deuterium plasma irradiation, with potential applications in the design of plasma-facing components for fusion reactors.</div></div>","PeriodicalId":373,"journal":{"name":"Journal of Nuclear Materials","volume":"606 ","pages":"Article 155622"},"PeriodicalIF":3.2000,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Nuclear Materials","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022311525000170","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/1/9 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

Our study investigates the response of an oxidized tungsten surface to deuterium irradiation in the 5–120 eV impact energy range. Using the LAMMPS molecular dynamics tool and a ReaxFF force field, we analyze the retention, reflection, sputtering, and surface chemistry of oxidized layers at various thicknesses at room temperature. These layers, formed on the tungsten (001) surface through cumulative oxygen irradiation, show that most reflected D atoms and sputtered O atoms originate in the oxide ad-layer, not reaching the W-bulk. The retention probability of D atoms is notably high at the lowest energies, decreasing with energy and approaching metallic tungsten values at higher energies. Our findings, which are compared with those of metallic tungsten and existing literature, provide valuable insights into the behavior of oxidized tungsten surfaces under deuterium plasma irradiation, with potential applications in the design of plasma-facing components for fusion reactors.

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

面向氘等离子体的氧化钨表面的保留、溅射和表面化学

我们研究了氧化钨表面在5-120 eV撞击能量范围内对氘辐照的响应。利用LAMMPS分子动力学工具和ReaxFF力场，分析了室温下不同厚度氧化层的保留、反射、溅射和表面化学性质。这些层是通过累积氧照射在钨（001）表面形成的，表明大多数反射的D原子和溅射的O原子来自于氧化层，而不是w体。D原子的保留概率在最低能量时显著高，随着能量的增加而降低，在高能量时接近金属钨值。我们的研究结果与金属钨和现有文献的研究结果进行了比较，为氧化钨表面在氘等离子体辐照下的行为提供了有价值的见解，并在聚变反应堆面向等离子体组件的设计中具有潜在的应用价值。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文去求助

来源期刊

Journal of Nuclear Materials 工程技术-材料科学：综合

CiteScore

5.70

自引率

25.80%

发文量

601

审稿时长

63 days

期刊介绍： The Journal of Nuclear Materials publishes high quality papers in materials research for nuclear applications, primarily fission reactors, fusion reactors, and similar environments including radiation areas of charged particle accelerators. Both original research and critical review papers covering experimental, theoretical, and computational aspects of either fundamental or applied nature are welcome. The breadth of the field is such that a wide range of processes and properties in the field of materials science and engineering is of interest to the readership, spanning atom-scale processes, microstructures, thermodynamics, mechanical properties, physical properties, and corrosion, for example. Topics covered by JNM Fission reactor materials, including fuels, cladding, core structures, pressure vessels, coolant interactions with materials, moderator and control components, fission product behavior. Materials aspects of the entire fuel cycle. Materials aspects of the actinides and their compounds. Performance of nuclear waste materials; materials aspects of the immobilization of wastes. Fusion reactor materials, including first walls, blankets, insulators and magnets. Neutron and charged particle radiation effects in materials, including defects, transmutations, microstructures, phase changes and macroscopic properties. Interaction of plasmas, ion beams, electron beams and electromagnetic radiation with materials relevant to nuclear systems.