In this work we introduce the Object Kinetic Monte Carlo (OKMC) simulator MMonCa and simulate the defect evolution in three different materials. We start by explaining the theory of OKMC and showing some details of how such theory is implemented by creating generic structures and algorithms in the objects that we want to simulate. Then we successfully reproduce simulated results for defect evolution in iron, silicon and tungsten using our simulator and compare with available experimental data and similar simulations. The comparisons validate MMonCa showing that it is powerful and flexible enough to be customized and used to study the damage evolution of defects in a wide range of solid materials.
Enhanced radiation tolerance of YSZ at high temperature against swift heavy ions: key role of interplay between material microstructure and irradiation temperature
Characterisation of Irradiation Damage in Fe3Cr and Fe5Cr: A Study on the Effects of Chromium Content and Temperature
University of Bristol(布里斯托大学);UK Atomic Energy Authority(英国原子能管理局);Ruđer Bošković Institute(鲁德·博什科维奇研究所);Advanced Photon Source, Argonne National Lab(阿贡国家实验室先进光子源);Indian Institute of Science(印度科学学院)
Irradiation of TiBe12 and CrBe12 with He+ ions and ex-situ transmission electron microscopy to investigate ion damage as a proxy for neutron irradiation damage in nuclear fusion
Rapid Primary Radiation Damage Resistance Assessment of Precipitation-Hardened Cu Alloys
Plasma Science and Fusion Center (PSFC)(等离子体科学与聚变中心);Department of Materials Science & Engineering(材料科学与工程系);Department of Nuclear Science & Engineering(核科学与工程系)
The influence of dynamical change of optical properties on the thermomechanical response and damage threshold of noble metals under femtosecond laser irradiation
Creating mixed-phase states in cadmium sulfide by swift heavy ion irradiation
Institute of Physics, Czech Academy of Sciences(捷克科学院物理研究所);Higher Institute of Technologies and Applied Sciences, University of Havana(哈瓦那大学高等技术与应用科学学院);Institute of Plasma Physics, Czech Academy of Sciences(捷克科学院等离子体物理研究所)
Damage dose dependence of deuterium retention in high-temperature self-ion irradiated tungsten
Max Planck Institute for Plasma Physics(马克斯·普朗克等离子体物理研究所);Karlsruhe Institute of Technology (KIT), Institute for Applied Materials - Applied Materials Physics(卡尔斯鲁厄理工学院应用材料研究所)
所有生物有机体,从植物到生物,都可以治愈轻微的伤口和损伤。几十年来,在无机材料中实现类似的自愈能力一直是设计目标。这将代表材料工程的突破,使许多新的技术应用成为可能,因为这种材料将能够抵抗电磁辐射和/或机械冲击造成的损害。在这里,我们证明了高熵氧化物本质上能够进行自主的自我修复过程。透射电子显微镜显示,尖晶石结构的(AlCoCrCu0.5FeNi)3 O 4可以再生,并在原子水平上修复损坏时。密度泛函理论计算揭示,在制造过程中存储在高熵材料中的额外焓可以被释放,以通过重新生长成部分有序状态来有效地修复宏观缺陷。这种非凡的自修复现象使这种新材料非常适合作为涂层,使在恶劣环境中使用的结构能够更好地承受损坏,例如太空中的宇宙辐射,核电设施中的核辐射或摩擦学损坏。最重要的是,我们的研究结果为自修复材料的合成提供了一般的设计原则。
Unveiling Nanoscale Surface Damage Dynamics in Swift Heavy Ion Irradiated Gallium Nitride
School of Nuclear Science and Technology, Xi’an Jiaotong University(西安交通大学核科学与技术学院);Academy of Chips Technology, China Electronics Technology Group Corporation(中国电子科技集团公司芯片技术研究院);National Key Laboratory of Integrated Circuits and Microsystems(集成电路与微系统国家重点实验室);National Key Laboratory for High Energy Pulsed Power(高能量脉冲功率国家重点实验室)
Damage accumulation induced metal-insulator transition through ion implantation of ScN thin films
PPRIME Institute, CNRS, Université de Poitiers–ENSMA(普雷米研究所,法国国家科学研究中心,普瓦捷大学-国立高等机械工程学院);Inorganic Chemistry, Department of Chemistry - Ångström, Uppsala University(乌普萨拉大学Ångström化学系无机化学);Thin Film Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University(林雪平大学物理、化学和生物学学院薄膜物理分部)
Beyond dpa: an atomistic framework for a quantitative description of radiation damage in YBa2Cu3O7
Politecnico di Torino(都灵理工大学);Istituto Nazionale di Fisica Nucleare, Sezione di Torino(意大利国家核物理研究所都灵分部);University of Helsinki(赫尔辛基大学);Linköping University(林雪平大学);Eni S.p.A.(埃尼公司)
Ultrafast X-ray induced damage and nonthermal melting in cadmium sulfide
Institute of Physics, Czech Academy of Sciences(捷克科学院物理研究所);Institute of Plasma Physics, Czech Academy of Sciences(捷克科学院等离子体物理研究所);Higher Institute of Technologies and Applied Sciences, University of Havana(哈瓦那大学高等技术与应用科学学院)
Cross-sectional helium irradiation reveals interface-controlled bubble evolution in Cr/CrAlSiN multilayer coatings on zirconium alloys
Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences(中国科学院宁波材料技术与工程研究所);Ningbo University of Technology(宁波工程学院);Harbin Engineering University(哈尔滨工程大学);Southwest University of Science and Technology(西南科技大学);Czech Technical University in Prague(布拉格捷克理工大学);Qianwan Institute of CNITECH(国创中心千湾研究院);Advanced Energy Science and Technology Guangdong Laboratory(先进能源科学与技术广东省实验室);University of Chinese Academy of Sciences(中国科学院大学);University of Southampton(南安普顿大学)
Anisotropic Kinetics of Ion-Irradiation-Induced Phase Transition in Gallium Oxide
School of Integrated Circuits, Wuhan University(武汉大学集成电路学院);School of Power and Mechanical Engineering, Wuhan University(武汉大学动力与机械工程学院);The Hong Kong Microelectronics Research and Development Institute(香港微电子研发院);Department of Physics and Helsinki Institute of Physics, University of Helsinki(赫尔辛基大学物理系与赫尔辛基物理研究所)