Lu Liang , Lingyan Xu , Qinzeng Hu , Yingming Wang , Zhentao Qin , Yanyan Lei , Wei Zheng , Shuai Song , Chaopeng Mi , Roman Lanovsky , Wanqi Jie
{"title":"Synergistic roles of electronic and nuclear energy deposition: From defect generation to performance degradation in heavy-ion-irradiated CdZnTe crystals","authors":"Lu Liang , Lingyan Xu , Qinzeng Hu , Yingming Wang , Zhentao Qin , Yanyan Lei , Wei Zheng , Shuai Song , Chaopeng Mi , Roman Lanovsky , Wanqi Jie","doi":"10.1016/j.jnucmat.2025.156393","DOIUrl":"10.1016/j.jnucmat.2025.156393","url":null,"abstract":"<div><div>Understanding the irradiation damage of cadmium zinc telluride (CdZnTe, CZT) crystals and its effect on photoelectric properties is crucial for their reliable use in radiation detection. This study examines the combined influence of electronic (S<sub>e</sub>) and nuclear (S<sub>n</sub>) energy loss on the microstructure, current transport, and carrier characteristics of CZT using 516 MeV and 1.5 MeV Xe ion irradiations. Results indicate that the synergistic S<sub>e</sub>/S<sub>n</sub> effect critically influences defect evolution pathways, leading to divergent microstructures. High S<sub>e</sub> favors dislocation loops through thermal-spike-enhanced kinetics, whereas high S<sub>n</sub>, by exacerbating lattice damage, promotes stacking faults and the evolution of loops into large-scale dislocation lines. Defect levels are deeper and the concentration of defects is larger after 516 MeV irradiation than after 1.5 MeV. Leakage current mechanisms are dominated by Schottky emission (SE) combined with the Poole-Frenkel (PF) effect for 516 MeV Xe ions, and by Fowler-Nordheim (F-N) tunneling coupled with PF effect for 1.5 MeV Xe ions. Carrier transport and γ-ray detection performance degrade more severely under 516 MeV irradiation, likely because of its broader damage layer and deeper defect levels. These findings provide a theoretical basis for understanding radiation damage mechanisms and performance recovery in CZT, offering valuable insights for radiation protection in spaceborne equipment.</div></div>","PeriodicalId":373,"journal":{"name":"Journal of Nuclear Materials","volume":"621 ","pages":"Article 156393"},"PeriodicalIF":3.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838101","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Joel L. Abraham , Pranesh Dayal , Rifat Farzana , Ghazaleh Bahmanrokh , Charles C. Sorrell , Pramod Koshy , Daniel J. Gregg
{"title":"Optimising glass-ceramic compositions for zirconolite-based actinide immobilisation","authors":"Joel L. Abraham , Pranesh Dayal , Rifat Farzana , Ghazaleh Bahmanrokh , Charles C. Sorrell , Pramod Koshy , Daniel J. Gregg","doi":"10.1016/j.jnucmat.2025.156399","DOIUrl":"10.1016/j.jnucmat.2025.156399","url":null,"abstract":"<div><div>Zirconolite is a candidate wasteform for actinide immobilisation. The addition of glass to form a glass-ceramic (GC) is also under consideration as GC materials provide flexibility to immobilise heterogeneous actinide wastes and simplify processing requirements. However, a major challenge in the design of zirconolite GCs is control of the phase assemblage to minimise unwanted phase formation, particularly at high glass contents where zirconolite can be destabilised in the glass melt during consolidation. In the current research, an optimal glass composition was developed to minimise unwanted secondary phases. Initially, GCs targeting zirconolite (CaZrTi<sub>2</sub>O<sub>7</sub>) with varying amounts (0–100 wt%) of glass addition (NaAl<sub>0.5</sub>B<sub>0.5</sub>Si<sub>2</sub>O<sub>6</sub>) were fabricated using a pre-synthesis route. X-ray diffraction (XRD) analysis of these baseline formulations showed that undesired phases (e.g., zircon) became more apparent at higher glass contents (e.g., 75 wt%). Following this, the additions of Al<sub>2</sub>O<sub>3</sub>, CaO, and TiO<sub>2</sub> to the glass composition minimised unwanted phase formation in the GCs, including those formulations with high glass contents. The optimal glass composition was determined to be NaAl<sub>1.5</sub>Ca<sub>0.7</sub>Ti<sub>0.2</sub>B<sub>0.5</sub>Si<sub>2</sub>O<sub>8.6</sub>. Ce-bearing zirconolite GCs (Ca<sub>0.8</sub>Ce<sub>0.2</sub>ZrTi<sub>1.6</sub>Al<sub>0.4</sub>O<sub>7</sub>; Ce as actinide surrogate) with varying amounts (0–100 vol%) of the tailored glass design (NaAl<sub>1.5</sub>Ca<sub>0.7</sub>Ti<sub>0.2</sub>B<sub>0.5</sub>Si<sub>2</sub>O<sub>8.6</sub>) were then fabricated using an <em>in-situ</em> crystallisation route. X-ray diffraction (XRD) and scanning electron microscopy (SEM) analyses showed that near phase-pure microstructures were achieved across all glass contents. Furthermore, the addition of glass lowered the sintering temperature (1320 °C to 1270 °C) needed to immobilise CeO<sub>2</sub> in zirconolite.</div></div>","PeriodicalId":373,"journal":{"name":"Journal of Nuclear Materials","volume":"621 ","pages":"Article 156399"},"PeriodicalIF":3.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Kai Xu , Ziqiang Jia , Xiangda Meng , Yujie Liu , Jing Ma
{"title":"Quantitative assessment of compositional effects on molybdenum solubility in nuclear waste glasses","authors":"Kai Xu , Ziqiang Jia , Xiangda Meng , Yujie Liu , Jing Ma","doi":"10.1016/j.jnucmat.2025.156372","DOIUrl":"10.1016/j.jnucmat.2025.156372","url":null,"abstract":"<div><div>The limited solubility of MoO<sub>3</sub> in conventional borosilicate waste glasses can promote the formation of a molybdate-rich molten salt phase, which compromises both waste form durability and melter integrity. To avoid the accumulation of separated phases during vitrification of high-level liquid waste (HLLW), it is crucial to develop glass matrices with enhanced MoO<sub>3</sub> solubility. However, such development remains a challenge due to the absence of quantitative methods for evaluating the tolerance of glass compositions to molybdenum. In this study, this issue is addressed by proposing a method to quantify MoO<sub>3</sub> solubility in borosilicate glasses and compiling a dataset of 143 crucible-scale measurements. Furthermore, an empirical model was developed to predict MoO<sub>3</sub> solubility as a function of glass composition, and independent validation confirms its applicability to HLLW glasses. Although further data can improve accuracy, this model provides quantitative insights into compositional effects. The model-predicted effects of key components align with general trends previously reported in the literature. Notably, B<sub>2</sub>O<sub>3</sub>, Li<sub>2</sub>O, ZnO, V<sub>2</sub>O<sub>5</sub>, and CaO enhance MoO<sub>3</sub> solubility, whereas Na<sub>2</sub>O and Al<sub>2</sub>O<sub>3</sub> exhibit the reverse effect.</div></div>","PeriodicalId":373,"journal":{"name":"Journal of Nuclear Materials","volume":"621 ","pages":"Article 156372"},"PeriodicalIF":3.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145789295","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Research on the regulation mechanism of laser shock peening on SCC performance of thin-walled austenitic welded joints","authors":"Qianwu Li, Chengtao Li, Jing Wan, Zhaoguang Zhu, Zhilin Chen, Shugang Zhang, Bin Yang, Yuanbin Gui","doi":"10.1016/j.jnucmat.2025.156381","DOIUrl":"10.1016/j.jnucmat.2025.156381","url":null,"abstract":"<div><div>To address the susceptibility of thin-walled austenitic stainless steel welded joints in nuclear power plants to stress corrosion cracking (SCC) under multi-field coupling environments, this study employs laser shock peening (LSP) technology for surface treatment to enhance their SCC resistance. By controlling LSP parameters, the research achieved redistribution of residual stresses and the construction of gradient nanostructures, effectively suppressing the initiation and propagation of SCC. Experimental results indicate that LSP treatment transforms residual tensile stresses on the welded joint surface into compressive stresses, significantly reducing the driving force for crack propagation. Simultaneously, the formed gradient nanostructure further mitigates stress concentration, thereby enhancing the material’s crack resistance. EDS analysis reveals that LSP treatment induces redistribution of Cr and Ni elements at grain boundaries, increasing precipitation of M<sub>23</sub>C<sub>6</sub>-type carbides. Although local chromium-depleted zones may elevate the risk of microcrack initiation, the strengthening effect of the gradient nanostructure predominantly governs the overall improvement in SCC resistance. Furthermore, optimized LSP parameters for thin-walled structures were established, and a three-stage strengthening model was developed, providing theoretical guidance for selecting optimal process parameters in practical applications. This research offers new technological pathways and theoretical support for enhancing SCC protection in critical thin-walled welded components of nuclear power plants.</div></div>","PeriodicalId":373,"journal":{"name":"Journal of Nuclear Materials","volume":"621 ","pages":"Article 156381"},"PeriodicalIF":3.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145789376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wenjie Zhang, Zhenyu Jiang, Honghui Zhang, Tianyi Song, Yong Liu, Yao Zhang, Ze Li, Yubin Pan, Kaigui Zhu
{"title":"Effect of D on the microstructure evolution and hardness of W-Re films deposited by magnetron sputtering","authors":"Wenjie Zhang, Zhenyu Jiang, Honghui Zhang, Tianyi Song, Yong Liu, Yao Zhang, Ze Li, Yubin Pan, Kaigui Zhu","doi":"10.1016/j.jnucmat.2025.156395","DOIUrl":"10.1016/j.jnucmat.2025.156395","url":null,"abstract":"<div><div>One of the challenges in fusion reactor research is the development of plasma-facing materials that can endure extreme environments. Although tungsten (W) is regarded as the most promising plasma-facing material, its performance inevitably degrades under fusion reactor conditions. When exposed to low-energy, high-flux hydrogen isotope plasma, W will experience a risk of structural damage. Meanwhile, neutron irradiation will generate transmutation products of W, which can alter the mechanical performance of W alloys. In this work, W-rhenium (<em>Re</em>) films with homogeneous deuterium (D) distribution are manufactured by magnetron sputtering to investigate the effects of <em>Re</em> and D on the mechanical performance of W. The damage gradient effect of the prepared samples is effectively mitigated, which has significant advantages compared to samples prepared by ion implantation or plasma exposure. The results indicate that sample hardness would increase with the higher D content, and the hardness-depth relationship follows the Nix-Gao model. At the same D concentration, increasing <em>Re</em> content leads to a reduction in hardness, which can be attributed to enhanced dislocation mobility. Meanwhile, the dislocation density in the sample has a positive relation with D content, which is consistent with the calculation results based on dispersed barrier-hardening model. The increased <em>Re</em> content further reduces D retention in W-<em>Re</em> films by decreasing the concentration of vacancy defects. This study elucidates the effects of <em>Re</em> and D on the mechanical properties of W under fusion reactor conditions.</div></div>","PeriodicalId":373,"journal":{"name":"Journal of Nuclear Materials","volume":"621 ","pages":"Article 156395"},"PeriodicalIF":3.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Anton J. Schneider, Christopher Matthews, David A. Andersson, Michael W.D. Cooper
{"title":"Ab-initio informed cluster dynamics simulation of self- and Xe diffusivity in uranium mononitride under irradiation","authors":"Anton J. Schneider, Christopher Matthews, David A. Andersson, Michael W.D. Cooper","doi":"10.1016/j.jnucmat.2025.156360","DOIUrl":"10.1016/j.jnucmat.2025.156360","url":null,"abstract":"<div><div>Uranium mononitride (UN) is one of the ceramic nuclear fuel alternatives to oxide fuels considered for light water reactor and advanced reactor designs, as it presents significant advantages such as high uranium density (better economics) and high thermal conductivity and melting point (increased safety). Self- and fission gas diffusivities need to be better understood, given that they influence key fuel performance phenomena like swelling and fission gas release. Recently, radiation enhanced diffusivity was investigated in UN by means of cluster dynamics simulations relying on empirical potential-based parameterizations, the reliability of which highly depends on the interatomic potential accuracy. In this work, we refine this approach by determining, using ab-initio calculations, the properties of defect clusters containing vacancies, self-interstitials and Xe impurities. We also consider larger clusters than previous studies. The obtained dataset (formation enthalpies, entropies, and migration barriers) is used to parameterize a cluster dynamics model of mobile clusters, and to calculate the defect cluster concentrations under irradiation. This gives us access to the radiation enhanced self- and fission gas diffusivities. Although the resulting diffusivities are close to the values reported in the literature, we find important qualitative differences in the diffusion mechanisms. Capturing the correct mechanisms is crucial to properly describe the chemistry and fission rate dependence of the model.</div></div>","PeriodicalId":373,"journal":{"name":"Journal of Nuclear Materials","volume":"620 ","pages":"Article 156360"},"PeriodicalIF":3.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145786472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"In-situ observation of dislocation dynamics during dislocation channel broadening","authors":"Jingfan Yang , Wei-Ying Chen , Xiaoyuan Lou","doi":"10.1016/j.jnucmat.2025.156364","DOIUrl":"10.1016/j.jnucmat.2025.156364","url":null,"abstract":"<div><div>For the first time, this work revealed the dislocation dynamics during dislocation channel broadening through in-situ straining and radiation experiments in TEM. The study examines how the distribution of radiation-induced defects (mainly density and size) influences dislocation channel development. Serving as a follow-up study to our previous work (DOI: 10.1016/j.actamat.2024.119650), this paper provides direct evidence to visualize the root cause of dislocation channel broadening in additively manufactured (AM) 316L stainless steel (SS) after hot isostatic pressing (HIP) and compared to the wrought 316L SS. Radiation-induced defects were observed to pin the dislocation significantly, compared to the unirradiated condition, resulting in discontinued and segmented motion and constrained plastic flow through the dislocation channel. The distribution of radiation-induced defects in HIP AM 316L SS (smaller and denser defects) promoted more frequent out-of-plane cross-slip or double cross-slip, a key mechanism to form boarder dislocation channels than wrought counterpart.</div></div>","PeriodicalId":373,"journal":{"name":"Journal of Nuclear Materials","volume":"620 ","pages":"Article 156364"},"PeriodicalIF":3.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145786932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Longwu Kang , Anzhou Qi , Wugang Fan , Zhaoquan Zhang , Xiaochuan Jiang , Guoming Liu , Xiaojiao Wang
{"title":"Evaluation of Gd₂O₃-Y2O3 co-stabilized zirconia as a burnable absorber for micro HTGR applications","authors":"Longwu Kang , Anzhou Qi , Wugang Fan , Zhaoquan Zhang , Xiaochuan Jiang , Guoming Liu , Xiaojiao Wang","doi":"10.1016/j.jnucmat.2025.156375","DOIUrl":"10.1016/j.jnucmat.2025.156375","url":null,"abstract":"<div><div>Gadolinium is a well-known neutron-absorbing nuclide, yet its optimal form as a burnable absorber for micro HTGRs (high-temperature gas-cooled reactors) has not been determined. In this work, a Gd₂O₃-Y₂O₃ co-stabilized zirconia (GdY-FSZ) is explored as a promising burnable absorber by systematically investigating the temperature-dependent properties relevant to micro HTGR applications. Reactivity simulation using the Monte Carlo code RMC demonstrates that Gd₂O₃ effectively controls excess reactivity without reactivity penalty at end-of-life. The sintered GdY-FSZ exhibits a stable cubic phase structure and develops a grayish discoloration after annealing under simulated core conditions. At 1273 K, GdY-FSZ demonstrates an elastic modulus of 153 GPa and a compressive strength of 455 MPa, exceeding the ASTM C1066 specification for nuclear-grade ZrO₂ pellets. Oxygen vacancy activation near 873 K significantly influences temperature-dependent variations in elastic modulus and may also affect thermal conductivity. The latter varies from 2.5 W/(m·K) to 1.99 W/(m·K) from room temperature (RT) to 1273 K. The thermal expansion coefficients increase from 8.51 to 10.82 × 10⁻⁶ K⁻¹, eliminating the risk of mechanical interference with the graphite channels. The TG-DSC curve of GdY-FSZ demonstrates phase stability up to 1273 K, with heat flow trends associated with its thermophysical properties. Thermal shock resistance tests show a 25 % residual strength retention after two cycles from 1273 K to RT, remaining structurally stable under operational temperature fluctuations (e.g., reactor startup/shutdown). Infrared emissivity analysis across 3.3–25 μm indicates decreasing average emissivity with temperature, thereby providing essential data for heat transfer simulations preceding neutron irradiation tests. These data support the application of GdY-FSZ in a micro HTGR with graphite core and offer theoretical guidelines for new burnable absorber design.</div></div>","PeriodicalId":373,"journal":{"name":"Journal of Nuclear Materials","volume":"621 ","pages":"Article 156375"},"PeriodicalIF":3.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145789372","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xilei Duan , Qiang Zhang , Xueyang Liu , Zhenghua Qian , Kui Zhang , Guanyu Zhu , Yanbo Qiao
{"title":"Morphology-governed rheology of RuO2 in borosilicate glass melts: Network formation and shear-thinning behavior","authors":"Xilei Duan , Qiang Zhang , Xueyang Liu , Zhenghua Qian , Kui Zhang , Guanyu Zhu , Yanbo Qiao","doi":"10.1016/j.jnucmat.2025.156365","DOIUrl":"10.1016/j.jnucmat.2025.156365","url":null,"abstract":"<div><div>RuO<sub>2</sub> deposits during nuclear waste vitrification significantly alter the rheology of glass melts. This study systematically investigated the effects of RuO<sub>2</sub> content and crystal morphology on the rheological behavior of borosilicate glass melts using a high-temperature rotary viscometer. Acicular (RuO<sub>2</sub>#a) and granular (RuO<sub>2</sub>#g) crystals were prepared via a molten salt synthesis (MSS) method. The results demonstrate that increasing RuO<sub>2</sub> content markedly enhances melt viscosity and induces pronounced non-Newtonian behavior (shear-thinning). Crucially, the crystal morphology governs this effect: the high-aspect-ratio RuO<sub>2</sub>#a facilitates the formation of a sample-spanning three-dimensional network, leading to a more significant viscosity increase and stronger shear-thinning compared to its granular counterpart (RuO<sub>2</sub>#g) at an equivalent content. Fitting with the Cross model quantitatively confirms the superior network-forming ability of acicular crystals, yielding a significantly higher zero-shear viscosity (<em>η<sub>0</sub></em>) and a longer relaxation time (<em>λ</em>), which signifies a stronger and more stable agglomerate structure. This work establishes crystal morphology as a decisive factor in controlling the rheology of RuO<sub>2</sub>-bearing glass melts.</div></div>","PeriodicalId":373,"journal":{"name":"Journal of Nuclear Materials","volume":"621 ","pages":"Article 156365"},"PeriodicalIF":3.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145789373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Bowen Zhang , Fengping Luo , Yuxin Liu , Jin Wang , Denghuang Chen , Chenxu Wang , Steven J. Zinkle , Yugang Wang
{"title":"Impact of PKA energy and spatial correlation of primary damage on irradiation microstructure evolution in iron: An object kinetic Monte Carlo simulation","authors":"Bowen Zhang , Fengping Luo , Yuxin Liu , Jin Wang , Denghuang Chen , Chenxu Wang , Steven J. Zinkle , Yugang Wang","doi":"10.1016/j.jnucmat.2025.156384","DOIUrl":"10.1016/j.jnucmat.2025.156384","url":null,"abstract":"<div><div>Object kinetic Monte Carlo (OKMC) simulations were performed to investigate irradiation-induced microstructural evolution in bcc Fe, focusing on the effects of PKA energies of neutrons and the spatial distribution of primary defects. Molecular Dynamics (MD) simulations were applied to generate displacement cascades in a wide range of PKA energies, leading to different defect distributions after primary damage stage. OKMC simulations were conducted from 300 °C to 500 °C with a dose rate from 10<sup>–5</sup> dpa/s to 10<sup>–3</sup> dpa/s and a total dose of 1.0 dpa. The simulation results demonstrate that increasing PKA energy elevates the number density of vacancy and SIA clusters by one to two orders of magnitude while only slightly reducing their average size. The influence of spatial correlations of cascade debris was further investigated by randomizing the defect clusters in the whole simulation box, neglecting their intra-cascade recombination and self-clustering. Results indicate that the absence of spatial correlations significantly underestimates the number density of vacancy and SIA clusters while overestimating their cluster sizes. Notably, these effects weaken with increasing PKA energy, and even diminish at high temperatures and low dose rates. This work provides fundamental insights into the effect of PKA energy on the long-term evolution with a focus on the spatial correlation after primary damage stage and offer novel insights into accurate prediction of long-term microstructural evolution through mesoscopic methods.</div></div>","PeriodicalId":373,"journal":{"name":"Journal of Nuclear Materials","volume":"621 ","pages":"Article 156384"},"PeriodicalIF":3.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145789384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}