Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms最新文献

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In-situ measurement of radiation driven back-conversion from para to ortho liquid hydrogen state in cold moderators at J-PARC 在 J-PARC 冷缓和剂中现场测量辐射驱动的对位液氢向正液氢的反向转换
IF 1.4 3区 物理与天体物理
M. Teshigawara , Y. Lee , H. Tatsumoto , M. Hartl , T. Aso , E.B. Iverson , G. Ariyoshi , Y. Ikeda , T. Hasegawa
{"title":"In-situ measurement of radiation driven back-conversion from para to ortho liquid hydrogen state in cold moderators at J-PARC","authors":"M. Teshigawara ,&nbsp;Y. Lee ,&nbsp;H. Tatsumoto ,&nbsp;M. Hartl ,&nbsp;T. Aso ,&nbsp;E.B. Iverson ,&nbsp;G. Ariyoshi ,&nbsp;Y. Ikeda ,&nbsp;T. Hasegawa","doi":"10.1016/j.nimb.2024.165534","DOIUrl":"10.1016/j.nimb.2024.165534","url":null,"abstract":"<div><div>At Japanese Spallation Neutron Source in J-PARC, the para-hydrogen fraction was measured by using Raman spectroscopy in-situ for an integrated beam power of 9.4 MW h at 1MW operation, to evaluate the functionality of the ferric oxyhydroxide catalyst. This result showed that full functionality of the catalyst was retained up to the 1 MW operation. We attempted to study the effect of neutron scattering driven para to ortho-hydrogen back-conversion rate in the absence of the catalyst effect with a bypass line without catalyst. The measured increase of ortho-hydrogen fraction was 0.44% for an integrated beam power of 2.4 MW h at 500 kW operation, which was attributed not only to neutron collisions in cold moderators but also to the high ortho-hydrogen fraction of initially static liquid hydrogen in the bypass line and passive exudation of quasi-static hydrogen in the catalyst vessel to the main loop.</div></div>","PeriodicalId":19380,"journal":{"name":"Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms","volume":"557 ","pages":"Article 165534"},"PeriodicalIF":1.4,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142323169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Local state of charge measurement on a Li battery by X -ray photon counting computed tomography 利用 X 射线光子计数计算机断层扫描测量锂电池的局部电荷状态
IF 1.4 3区 物理与天体物理
Hiroshi Sakurai , Kazushi Hoshi , Daiki Watabe , Kosuke Suzuki , Yuki Hasebe , Shunta Suzuki , Yumiko Ohno , Masami Torikoshi
{"title":"Local state of charge measurement on a Li battery by X -ray photon counting computed tomography","authors":"Hiroshi Sakurai ,&nbsp;Kazushi Hoshi ,&nbsp;Daiki Watabe ,&nbsp;Kosuke Suzuki ,&nbsp;Yuki Hasebe ,&nbsp;Shunta Suzuki ,&nbsp;Yumiko Ohno ,&nbsp;Masami Torikoshi","doi":"10.1016/j.nimb.2024.165537","DOIUrl":"10.1016/j.nimb.2024.165537","url":null,"abstract":"<div><div>X-ray attenuation coefficient images of CR1025 Li batteries at several energies were measured using a photon counting computed tomography (PCCT) system. From the X-ray attenuation coefficient images at several energies, effective density and effective atomic number images were obtained for material identification. Furthermore, local state of charge (SOC) of the battery was estimated in the fresh and discharged states from the analysis of the measured X-ray attenuation coefficient images. We found inhomogeneous local SOC distribution in the discharged state. This study shows the possibility of the PCCT system as a new nondestructive testing (NDT) technology for Li ion rechargeable batteries such as in electric vehicles.</div></div>","PeriodicalId":19380,"journal":{"name":"Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms","volume":"557 ","pages":"Article 165537"},"PeriodicalIF":1.4,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142323170","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development of a forward Monte Carlo based weight-window generator using the history-counter function in PHITS 利用 PHITS 的历史计数器功能开发基于前向蒙特卡罗的权重窗口生成器
IF 1.4 3区 物理与天体物理
Tatsuhiko Sato , Shintaro Hashimoto , José Ignacio Márquez Damián , Koji Niita
{"title":"Development of a forward Monte Carlo based weight-window generator using the history-counter function in PHITS","authors":"Tatsuhiko Sato ,&nbsp;Shintaro Hashimoto ,&nbsp;José Ignacio Márquez Damián ,&nbsp;Koji Niita","doi":"10.1016/j.nimb.2024.165535","DOIUrl":"10.1016/j.nimb.2024.165535","url":null,"abstract":"<div><div>Appropriate use of the variance reduction techniques such as weight-windows are indispensable for effectively designing the radiation shielding based on the Monte Carlo simulation. In this study, we developed a new algorithm of weight-window generator (WWG) relying solely on forward Monte Carlo simulation and implemented it into the Particle and Heavy Ion Transport code System (PHITS). Our new algorithm leverages a PHITS-specific function called the “history counter”, which serves as an event logger that can be arbitrarily defined by users. The performance of the new WWG was investigated by conducting benchmark simulations for both idealized and practical shielding calculations. The results of the benchmark simulations suggested that our new algorithm can reduce the computational time by up to an order of magnitude. With this new feature, PHITS has become further suitable for the shielding calculations against high-energy radiations even when their evaluated cross-section data are unavailable.</div></div>","PeriodicalId":19380,"journal":{"name":"Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms","volume":"557 ","pages":"Article 165535"},"PeriodicalIF":1.4,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142323353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The use of second foil stripping in tandem accelerators 串联加速器中第二箔片剥离的使用
IF 1.4 3区 物理与天体物理
T.L. Bailey, L.K. Callahan, A.M. Clark, A.D. Nelson, L. Wood, P. Collon
{"title":"The use of second foil stripping in tandem accelerators","authors":"T.L. Bailey,&nbsp;L.K. Callahan,&nbsp;A.M. Clark,&nbsp;A.D. Nelson,&nbsp;L. Wood,&nbsp;P. Collon","doi":"10.1016/j.nimb.2024.165532","DOIUrl":"10.1016/j.nimb.2024.165532","url":null,"abstract":"<div><div>The 10 MV FN Tandem at the University of Notre Dame’s Nuclear Science Laboratory has the option for a second foil stripper halfway down its high energy column. With its utilization, users are able to produce beams with higher energies and/or transmission than single foil stripping alone would be capable of achieving. A discussion of the Schiwietz–Grande, Nikolaev–Dmitriev, and Baudinet-Robinet semi-empirical models used to determine the resulting charge state abundances, as well as how they compare to measured charge state distributions is presented. The advantages of a second foil stripper are discussed alongside measurements of the charge state abundances produced. The potential for more interfering beam species of similar magnetic rigidity is also discussed. It was found that for most of the beams tested, second foil stripping allowed higher energies with higher yields than the single terminal foil stripping alone could achieve which can enhance the capabilities of other laboratories using similar accelerator systems.</div></div>","PeriodicalId":19380,"journal":{"name":"Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms","volume":"557 ","pages":"Article 165532"},"PeriodicalIF":1.4,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142319445","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The effect of ion implantation and annealing temperatures on the migration behavior of ruthenium in glassy carbon 离子注入和退火温度对玻璃碳中钌迁移行为的影响
IF 1.4 3区 物理与天体物理
T.A.O. Jafer , O.S. Odutemowo , H.A.A. Abdelbagi , T.T. Thabethe , J.B. Malherbe
{"title":"The effect of ion implantation and annealing temperatures on the migration behavior of ruthenium in glassy carbon","authors":"T.A.O. Jafer ,&nbsp;O.S. Odutemowo ,&nbsp;H.A.A. Abdelbagi ,&nbsp;T.T. Thabethe ,&nbsp;J.B. Malherbe","doi":"10.1016/j.nimb.2024.165533","DOIUrl":"10.1016/j.nimb.2024.165533","url":null,"abstract":"<div><p>Nuclear waste storage materials are inevitable in nuclear industry for preventing the release of radioactive waste products. Glassy carbon has been considered being beneficial to be used in the dry cask needed for nuclear waste storage. Thus, we studied the migration of ruthenium implanted in glassy carbon upon annealing. Our investigations show that ruthenium implantation caused defects in the glassy carbon structure, with more defects observed in the room temperature as-implanted samples compared to those implanted at 200 °C. Annealing the as-implanted samples from 500 to 800 °C showed no significant change in the ruthenium depth profiles, indicating the non-diffusivity of ruthenium in glassy carbon at these temperatures. However, annealing at higher temperatures (from 900 and 1300 °C) resulted in an increase in the maximum depth profile peaks, accompanied by a shift towards the surface, and a decrease in the full-width at half-maximum. These changes indicate the aggregation of ruthenium atoms in the near-surface region. Additionally, more ruthenium aggregation was observed in room temperature implanted samples compared to those implanted at 200 °C. This difference is attributed to the higher concentration of defects in room temperature implanted samples, which promotes ruthenium aggregation. Moreover, the migration and aggregation of ruthenium in the near-surface region contributed to an increase in the surface roughness of the glassy carbon.</p></div>","PeriodicalId":19380,"journal":{"name":"Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms","volume":"557 ","pages":"Article 165533"},"PeriodicalIF":1.4,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0168583X24003033/pdfft?md5=1ad7044e69c10d103f8a6adca369df21&pid=1-s2.0-S0168583X24003033-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142241776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
On the interactions between alloying element niobium and interstitial/vacancy in Zr-Nb alloy: A first-principles study 关于 Zr-Nb 合金中合金元素铌与间隙/空位之间的相互作用:第一原理研究
IF 1.4 3区 物理与天体物理
Tun Chen , Zhipeng Sun , Qing Hou , Jiechao Cui , Min Li , Jun Wang , Baoqin Fu
{"title":"On the interactions between alloying element niobium and interstitial/vacancy in Zr-Nb alloy: A first-principles study","authors":"Tun Chen ,&nbsp;Zhipeng Sun ,&nbsp;Qing Hou ,&nbsp;Jiechao Cui ,&nbsp;Min Li ,&nbsp;Jun Wang ,&nbsp;Baoqin Fu","doi":"10.1016/j.nimb.2024.165531","DOIUrl":"10.1016/j.nimb.2024.165531","url":null,"abstract":"<div><p>Zirconium-niobium alloy is widely used in pressurized-water-reactors (PWRs) due to its excellent performance. Herein, the effects of Nb on the formation, migration, and clustering of vacancies/interstitials in Zr-Nb solid solution are studied using first-principles calculations. Nb lowers the formation energy of Zr interstitials and significantly enhances the anisotropy of Zr interstitial migration in the vicinity. Nb shows thermodynamic attraction to vacancies while causes a significant decrease in the vacancy migration barrier, which enhances the mobility of vacancies around Nb. In addition, we find that the vacancy-mediated Nb migration is anisotropic, and these Nb-vacancy interactions play an important role in revealing the mechanism of the precipitation of needle-like Nb phases under high irradiation fluences. Finally, we verified the anisotropic attraction of Nb to vacancies with CI-NEB method. These findings will contribute to a more in-depth comprehension on the mechanism how Nb influences the evolution process of irradiation defects in Zr-Nb alloys.</p></div>","PeriodicalId":19380,"journal":{"name":"Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms","volume":"557 ","pages":"Article 165531"},"PeriodicalIF":1.4,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142241861","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Diagnostic study on laser-produced metal hydride plasmas 激光产生的金属氢化物等离子体诊断研究
IF 1.4 3区 物理与天体物理
Xiang Wan , Pingping Gan , Huanyu Zhao , Junjie Zhang
{"title":"Diagnostic study on laser-produced metal hydride plasmas","authors":"Xiang Wan ,&nbsp;Pingping Gan ,&nbsp;Huanyu Zhao ,&nbsp;Junjie Zhang","doi":"10.1016/j.nimb.2024.165530","DOIUrl":"10.1016/j.nimb.2024.165530","url":null,"abstract":"<div><p>The characteristics of laser-produced metal hydride plasmas have been investigated in this work. The charge state and velocity of ions were determined by employing a time-of-flight technique in conjunction with an electrostatic deflection method. The ion velocities were found to be supersonic with values in the range of 10<sup>4</sup> to 10<sup>5</sup> m/s. The proportion of hydrogen ions was found to be lower than that of titanium ions. The ion emission behavior was studied by using a Faraday cup. When the total integrated space was taken into account, the ns pulsed laser was capable of producing hydrogen ion currents greater than one hundred mA. In order to understand the plasma generation process, we performed a comparative analysis between laser-generated plasma and arc plasma, and also investigated the effect of laser power density on the composition and velocity of the ions, the ablation properties of metal hydrides, and the maintainability of hydrogen ion emission.</p></div>","PeriodicalId":19380,"journal":{"name":"Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms","volume":"557 ","pages":"Article 165530"},"PeriodicalIF":1.4,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142232029","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Measurement of the 10B(d,α0)8Be, 10B(d,α1)8Be*, 10B(d,p2)9Be*, 11B(d,α0)9Be, and 11B(d,α2)9Be* reactions cross-sections at the deuteron energies up to 2.2 MeV 测量氘核能量高达 2.2 MeV 时的 10B(d,α0)8Be、10B(d,α1)8Be*、10B(d,p2)9Be*、11B(d,α0)9Be 和 11B(d,α2)9Be* 反应截面
IF 1.4 3区 物理与天体物理
Sergey Taskaev , Victor Bessmeltsev , Marina Bikchurina , Timofey Bykov , Dmitrii Kasatov , Iaroslav Kolesnikov , Alexey Nikolaev , Efim Oks , Georgii Ostreinov , Sergey Savinov , Anna Shuklina , Evgeniia Sokolova , Georgy Yushkov
{"title":"Measurement of the 10B(d,α0)8Be, 10B(d,α1)8Be*, 10B(d,p2)9Be*, 11B(d,α0)9Be, and 11B(d,α2)9Be* reactions cross-sections at the deuteron energies up to 2.2 MeV","authors":"Sergey Taskaev ,&nbsp;Victor Bessmeltsev ,&nbsp;Marina Bikchurina ,&nbsp;Timofey Bykov ,&nbsp;Dmitrii Kasatov ,&nbsp;Iaroslav Kolesnikov ,&nbsp;Alexey Nikolaev ,&nbsp;Efim Oks ,&nbsp;Georgii Ostreinov ,&nbsp;Sergey Savinov ,&nbsp;Anna Shuklina ,&nbsp;Evgeniia Sokolova ,&nbsp;Georgy Yushkov","doi":"10.1016/j.nimb.2024.165527","DOIUrl":"10.1016/j.nimb.2024.165527","url":null,"abstract":"<div><p>The deuteron-boron fusion reaction produces many different charged particles. Data on the reactions cross-sections differ among different authors, so obtaining experimental data is still relevant. Measurements of the reactions cross-section were carried out at the accelerator-based neutron source VITA at Budker Institute of Nuclear Physics (Novosibirsk, Russia) using an α-spectrometer. The <sup>10</sup>B(d,α<sub>0</sub>)<sup>8</sup>Be, <sup>10</sup>B(d,α<sub>1</sub>)<sup>8</sup>Be*, <sup>10</sup>B(d,p<sub>2</sub>)<sup>9</sup>Be*, <sup>11</sup>B(d,α<sub>0</sub>)<sup>9</sup>Be, and <sup>11</sup>B(d,α<sub>2</sub>)<sup>9</sup>Be* reactions cross-sections at the deuteron energies up to 2.2 MeV have been measured. The obtained data are presented in tabular form.</p></div>","PeriodicalId":19380,"journal":{"name":"Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms","volume":"557 ","pages":"Article 165527"},"PeriodicalIF":1.4,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142172338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Experimental and calculated electronic stopping force determination of 24Cr, 28Ni and 22Ti ions crossing PVC and Mylar foils in the ion energy domain of LSS theory 在 LSS 理论的离子能量域中测定 24Cr、28Ni 和 22Ti 离子穿过 PVC 和 Mylar 箔的实验和计算电子阻挡力
IF 1.4 3区 物理与天体物理
A. Dib , H. Ammi , K. Boukeffoussa , M. Msimanga , C. Mtshali , M. Nkosi
{"title":"Experimental and calculated electronic stopping force determination of 24Cr, 28Ni and 22Ti ions crossing PVC and Mylar foils in the ion energy domain of LSS theory","authors":"A. Dib ,&nbsp;H. Ammi ,&nbsp;K. Boukeffoussa ,&nbsp;M. Msimanga ,&nbsp;C. Mtshali ,&nbsp;M. Nkosi","doi":"10.1016/j.nimb.2024.165528","DOIUrl":"10.1016/j.nimb.2024.165528","url":null,"abstract":"<div><p>Energy loss measurements for heavy ions (<sup>28</sup>Ni,<sup>24</sup>Cr and <sup>22</sup>Ti) crossing thin polymeric foil such as PVC and Mylar in the energy range 0.1–0.3 MeV/n have been carried out utilizing the 6MV Tandem accelerator facility at iThemba-labs in Johannesburg (South Africa). These measurements deduced experimental stopping force data have been compared with those calculated using Lindhard, Scharff and Schiott formulation (LSS) and SRIM-2013 predictions. A large significant deviation has been observed between experimental values and those calculated by LSS formula. Based on physical postulate, we have developed a reasonably simple semi-empirical formula that takes in to account a mean residual projectile charge <span><math><mover><mrow><mi>Z</mi><mn>1</mn></mrow><mrow><mo>¯</mo></mrow></mover></math></span> and suitable <span><math><msub><mi>ξ</mi><mi>e</mi></msub></math></span> factor which depend on Z1 and Z2. This new modified LSS formula has been tested and the calculated stopping force values generated by this formula are in close agreement with the measured ones.</p></div>","PeriodicalId":19380,"journal":{"name":"Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms","volume":"557 ","pages":"Article 165528"},"PeriodicalIF":1.4,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142230058","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
First-principles study of Re in BCC-Mo: Diffusion behavior and interaction with point defects BCC-Mo 中 Re 的第一性原理研究:扩散行为及与点缺陷的相互作用
IF 1.4 3区 物理与天体物理
Li-Xia Jia , Jin-Li Cao , Yan-Kun Dou , Yong-Peng Zhao , Dong-Jie Wang , Xin-Fu He , Wen Yang
{"title":"First-principles study of Re in BCC-Mo: Diffusion behavior and interaction with point defects","authors":"Li-Xia Jia ,&nbsp;Jin-Li Cao ,&nbsp;Yan-Kun Dou ,&nbsp;Yong-Peng Zhao ,&nbsp;Dong-Jie Wang ,&nbsp;Xin-Fu He ,&nbsp;Wen Yang","doi":"10.1016/j.nimb.2024.165525","DOIUrl":"10.1016/j.nimb.2024.165525","url":null,"abstract":"<div><p>Due to their some beneficial properties, molybdenum-based alloys, such as Mo-Re alloys, are recognized as potential structural materials for nuclear power reactors. Irradiation induced precipitation of rhenium (Re) atoms causes hardening and embrittlement of Mo-Re alloys, restricting their application. The interaction of rhenium (Re) atoms with point defects (PDs), as well as the diffusion behavior of Re atoms in BCC-Mo (Body Center Cubic-molybdenum), were investigated using first-principles methods. The results revealed that Re atoms exhibited high binding energies with both vacancy (Vac) and interstitial dumbbells. Furthermore, the binding energies increased with the number of Re atoms. The binding energies of Re with self-interstitial dumbbell (SIA, ie., Mo-Mo) and mixed interstitial dumbbell (Mo-Re) were quite close to. Due to the high exchange barrier between Vac and Re, the diffusion of rhenium through the vacancy-drag mechanism was difficult. Due to the low migration and rotation barrier of Mo-Re mixed interstitial dumbbell, the diffusion of Re atoms in Mo was dominated by the interstitial-mediated mechanism. From the perspective of diffusion dynamics, only interstitial dumbbells can promote the aggregation of Re atoms. By comparing the binding energy of interstitial dumbbell with interstitial dumbbell and interstitial dumbbell with Re atoms, pairs of Mo-Re interstitial dumbbell was suggested to be the nucleation sites to attract more interstitial dumbbells, thereby promoting the precipitation of Re clusters. It was because they had high binding energy and were difficult to decompose once combined.</p></div>","PeriodicalId":19380,"journal":{"name":"Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms","volume":"557 ","pages":"Article 165525"},"PeriodicalIF":1.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142168637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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