Analysis of Irradiation Induced Defect Clusterization for Zr-1%Nb Alloy Using Atomistic Simulation
Nuclear-grade zirconium alloys properties are very similar to those of pure zirconium (Zr), because in most cases they contain more than 95% of Zr atoms. They have extensive application in nuclear industry, especially in fuel cladding. Lattice properties of pure Zr and Zr-1%Nb alloy have been explor...
| 發表在: | Journal of Nuclear Research and Applications |
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| Main Authors: | , , |
| 格式: | Article |
| 語言: | 英语 |
| 出版: |
Nuclear Science and Technology Research Institute (NSTRI)
2023-06-01
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| 主題: | |
| 在線閱讀: | https://jonra.nstri.ir/article_1488_cef9835e9addeb6ad3acae7e705e63e9.pdf |
| _version_ | 1850347321015926784 |
|---|---|
| author | M. R. Basaadat M. Payami S. Sheykhi |
| author_facet | M. R. Basaadat M. Payami S. Sheykhi |
| author_sort | M. R. Basaadat |
| collection | DOAJ |
| container_title | Journal of Nuclear Research and Applications |
| description | Nuclear-grade zirconium alloys properties are very similar to those of pure zirconium (Zr), because in most cases they contain more than 95% of Zr atoms. They have extensive application in nuclear industry, especially in fuel cladding. Lattice properties of pure Zr and Zr-1%Nb alloy have been explored in this study. Point defect formation energies have also been calculated. Then, di-vacancies have been considered to check the cluster vacancy production. In the next section, the stability of niobium (with different size) clusters have been considered. Furthermore, assuming the Nb-cluster production, it has been shown that the niobium atoms binding energy in cluster form is positive that means the niobium atoms tend to make a cluster, when they bring near together. Finally, the effect of pressure on this clusterization has been studied. The results show that (except of cluster with 2 niobium atoms) the binding energy has been decreased with increasing pressure and therefore the clusters will be unstable. |
| format | Article |
| id | doaj-art-e4e6af2792664d2aa6a4deb173dc84e5 |
| institution | Directory of Open Access Journals |
| issn | 2783-3402 |
| language | English |
| publishDate | 2023-06-01 |
| publisher | Nuclear Science and Technology Research Institute (NSTRI) |
| record_format | Article |
| spelling | doaj-art-e4e6af2792664d2aa6a4deb173dc84e52025-08-19T23:11:34ZengNuclear Science and Technology Research Institute (NSTRI)Journal of Nuclear Research and Applications2783-34022023-06-0132152110.24200/jon.2023.06211488Analysis of Irradiation Induced Defect Clusterization for Zr-1%Nb Alloy Using Atomistic SimulationM. R. Basaadat0M. Payami1S. Sheykhi2Physics and Accelerators Research School, Nuclear Science and Technology Research Institute (NSTRI), Tehran, IranPhysics and Accelerators Research School, Nuclear Science and Technology Research Institute (NSTRI), Tehran, IranPhysics and Accelerators Research School, Nuclear Science and Technology Research Institute (NSTRI), Tehran, IranNuclear-grade zirconium alloys properties are very similar to those of pure zirconium (Zr), because in most cases they contain more than 95% of Zr atoms. They have extensive application in nuclear industry, especially in fuel cladding. Lattice properties of pure Zr and Zr-1%Nb alloy have been explored in this study. Point defect formation energies have also been calculated. Then, di-vacancies have been considered to check the cluster vacancy production. In the next section, the stability of niobium (with different size) clusters have been considered. Furthermore, assuming the Nb-cluster production, it has been shown that the niobium atoms binding energy in cluster form is positive that means the niobium atoms tend to make a cluster, when they bring near together. Finally, the effect of pressure on this clusterization has been studied. The results show that (except of cluster with 2 niobium atoms) the binding energy has been decreased with increasing pressure and therefore the clusters will be unstable.https://jonra.nstri.ir/article_1488_cef9835e9addeb6ad3acae7e705e63e9.pdfzirconium-niobium alloydefectdi-vacancyniobium clusterspressure |
| spellingShingle | M. R. Basaadat M. Payami S. Sheykhi Analysis of Irradiation Induced Defect Clusterization for Zr-1%Nb Alloy Using Atomistic Simulation zirconium-niobium alloy defect di-vacancy niobium clusters pressure |
| title | Analysis of Irradiation Induced Defect Clusterization for Zr-1%Nb Alloy Using Atomistic Simulation |
| title_full | Analysis of Irradiation Induced Defect Clusterization for Zr-1%Nb Alloy Using Atomistic Simulation |
| title_fullStr | Analysis of Irradiation Induced Defect Clusterization for Zr-1%Nb Alloy Using Atomistic Simulation |
| title_full_unstemmed | Analysis of Irradiation Induced Defect Clusterization for Zr-1%Nb Alloy Using Atomistic Simulation |
| title_short | Analysis of Irradiation Induced Defect Clusterization for Zr-1%Nb Alloy Using Atomistic Simulation |
| title_sort | analysis of irradiation induced defect clusterization for zr 1 nb alloy using atomistic simulation |
| topic | zirconium-niobium alloy defect di-vacancy niobium clusters pressure |
| url | https://jonra.nstri.ir/article_1488_cef9835e9addeb6ad3acae7e705e63e9.pdf |
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