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The behavior of Helium in (Ti1-xZrx)3SiC2 by first-principles study 通过第一原理研究氦在(Ti1-xZrx)3 SiC2 中的行为
IF 2.8 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-05 DOI: 10.1016/j.jnucmat.2024.155500
Yunya Dai , Xiaoyuru Chen , Bo Liao , Fu Wang , Hanzhen Zhu , Qilong Liao , Liyuan Dong , Jinlan Nie
The properties of (Ti1-xZrx)3SiC2 (x = 0, 0.04, 0.06, 0.09, 0.13, and 0.17) and the behavior of helium within (Ti1-xZrx)3SiC2 were investigated through first-principles calculations. It was found that the (Ti1-xZrx)3SiC2 ceramics are all thermodynamically stable, while their thermal stability decreases as the Zr content increases. Additionally, the substitution of Zr for Ti results in a lattice expansion of the system. It was observed that helium tends to occupy the interstitial sites near the Si layer in (Ti1-xZrx)3SiC2. As the concentration of Zr increases, the interaction between helium and surrounding atoms weakens, leading to a higher solubility of helium in (Ti1-xZrx)3SiC2. Furthermore, with increasing Zr concentration, the diffusion energy barrier for interstitial helium gradually increases. This likely results in greater difficulty for helium migration, thus enhancing the stability of this material. Therefore, it is concluded that substituting Zr for Ti is one of the beneficial ways to enhance the radiation resistance of Ti3SiC2.
通过第一性原理计算研究了 (Ti1-xZrx)3SiC2 (x = 0、0.04、0.06、0.09、0.13 和 0.17)的性质以及氦在 (Ti1-xZrx)3SiC2 中的行为。研究发现,(Ti1-xZrx)3SiC2 陶瓷都具有热力学稳定性,但其热稳定性随着 Zr 含量的增加而降低。此外,用 Zr 替代 Ti 会导致系统晶格膨胀。据观察,氦倾向于占据 (Ti1-xZrx)3SiC2 中靠近硅层的间隙位置。随着 Zr 浓度的增加,氦与周围原子的相互作用减弱,导致氦在(Ti1-xZrx)3SiC2 中的溶解度增加。此外,随着 Zr 浓度的增加,间隙氦的扩散能障也逐渐增加。这可能会增加氦迁移的难度,从而提高这种材料的稳定性。因此,可以得出结论:用 Zr 替代 Ti 是增强 Ti3SiC2 抗辐射性的有利方法之一。
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引用次数: 0
Comparative characterization of mixed spectra and thermal neutron shielded irradiated tungsten 混合光谱和热中子屏蔽辐照钨的特性比较
IF 2.8 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-04 DOI: 10.1016/j.jnucmat.2024.155498
Hanns Gietl , Chase N. Taylor , Yuji Hatano , Yasuhisa Oya , Masashi Shimada
The effect of mixed spectra and thermal neutron shielded irradiation on tungsten was evaluated with plasma exposure in the tritium plasma experiment followed by thermal desorption spectroscopy, X-ray photoelectron spectroscopy, and transmission electron microscopy. The two different irradiation campaigns were performed at the High Flux Isotope Reactor to 0.39–0.74 displacement per atom (dpa) in the 894–1379 K temperature range. A neutron spectrum influence on the void size and void number density was not observed. However, a strong correlation was found between void size and void number density with temperature, but not with dpa in the limited dpa range of this study. Thermal neutron shielding significantly reduced the transmutation to Re+Os. Higher irradiation temperature will lead to larger voids with lower number density, which reduces deuterium retention. Grain growth was also observed for high-temperature irradiation of over ∼1300 K within the limited grains visible in the transmission electron microscopy specimens.
在氚等离子体实验中,通过等离子体照射评估了混合光谱和热中子屏蔽辐照对钨的影响,随后进行了热解吸光谱分析、X 射线光电子能谱分析和透射电子显微镜分析。在 894-1379 K 的温度范围内,在高通量同位素反应堆进行了两种不同的辐照活动,每原子位移 (dpa) 在 0.39-0.74 之间。没有观察到中子谱对空隙大小和空隙数密度的影响。然而,在本研究有限的 dpa 范围内,空隙尺寸和空隙数密度与温度之间存在很强的相关性,但与 dpa 无关。热中子屏蔽大大降低了向 Re+Os 的嬗变。辐照温度越高,空隙越大,空隙数密度越低,从而减少了氘的保留。在透射电子显微镜试样中可见的有限晶粒内,超过 1300 K 的高温辐照也观察到了晶粒生长。
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引用次数: 0
Observations of the irradiation hardening behavior in neutron irradiated HT-9 steels through in situ TEM nano-mechanical tests 通过原位 TEM 纳米力学测试观察中子辐照 HT-9 钢的辐照硬化行为
IF 2.8 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-03 DOI: 10.1016/j.jnucmat.2024.155497
Tanvi Ajantiwalay , Brandon Bohanon , Patrick H. Warren , Megha Dubey , Yaqiao Wu , Janelle P. Wharry , Assel Aitkaliyeva
Nano-compression and nano-tensile tests were used to investigate the behavior of HT-9 steel neutron irradiated to 4.29 dpa at 469 °C. The deformation of both as-received and neutron irradiated HT-9 was monitored in situ with a transmission electron microscope, which allowed linking microstructure of the material with the evolution of mechanical properties and identifying the mechanisms governing irradiation-induced hardening of these steels. In nano-compression tests, dislocation-mediated deformation is the deformation mechanism in HT-9 steels irradiated at elevated temperatures. In nano-tensile tests, while dislocations contribute to hardening, grain boundaries determine the deformation mechanisms and eventual fracture of HT-9. The paper further examines the size effect for nano-mechanical tests by varying sample dimensions and comparing obtained results to the micro- and bulk-scale mechanical test data.
采用纳米压缩和纳米拉伸试验研究了在 469 °C 下中子辐照 4.29 dpa 的 HT-9 钢的行为。利用透射电子显微镜对原样和中子辐照 HT-9 钢的变形进行了原位监测,从而将材料的微观结构与机械性能的演变联系起来,并确定了这些钢的辐照诱导硬化机制。在纳米压缩试验中,位错介导的变形是 HT-9 钢在高温辐照下的变形机制。在纳米拉伸试验中,虽然位错有助于硬化,但晶界决定了 HT-9 的变形机制和最终断裂。本文通过改变样品尺寸,进一步研究了纳米力学测试的尺寸效应,并将所得结果与微观和大体积力学测试数据进行了比较。
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引用次数: 0
Rate theory model of irradiation effects in UO2: Influence of electronic energy losses 二氧化铀中辐照效应的速率理论模型:电子能量损失的影响
IF 2.8 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-02 DOI: 10.1016/j.jnucmat.2024.155493
A. Georgesco , J.-P. Crocombette , G. Gutierrez , C. Onofri , M. Khafizov
To investigate the effect of electronic energy losses on nuclear damage in UO2, we use a simple Rate Theory (RT) model, based on the time evolution of single point defects, governed by their absorption at the surface of TEM lamellae, and by interstitial-type dislocation loops nucleation, solely characterized by their number and average size. We first parametrize the model by fitting six different experimental datasets at various temperatures, ion type and energy (0.39 MeV Xe and 4 MeV Au ion irradiations at 93, 298 and 873 K) where defect evolution in UO2 is dominated by displacement damage caused by nuclear energy losses. The model suggests that dislocation evolution kinetics is driven by monomers diffusion at 873 K. At lower temperature (93 and 298 K) monomer diffusion has little impact and the evolution is governed by the nucleation of loops within the collision cascade. Analysis of four additional experimental datasets at 93 and 298 K where electronic energy losses are strong (single 6 MeV Si and dual simultaneous Xe & Si ion irradiations) required modification of monomer's diffusion coefficients. In the case of single Si ion irradiation, evolution is temperature independent and the enhanced diffusion due to electronic excitations and ionizations are best captured by adding athermal component to the monomer diffusion coefficients. In case of the dual Xe & Si ions irradiation, electronic excitation caused by Si ions impacts the defects pre-generated by Xe ions and enhances defect diffusion by at local heating induced by the thermal spike of Si ions. This effect is best captured by artificially raising the irradiation temperature.
为了研究电子能量损失对二氧化铀核损伤的影响,我们使用了一个简单的速率理论(RT)模型,该模型基于单点缺陷的时间演化,由其在TEM薄片表面的吸收和间隙型位错环核(仅以其数量和平均尺寸为特征)决定。我们首先通过拟合不同温度、离子类型和能量(93、298 和 873 K 下的 0.39 MeV Xe 和 4 MeV Au 离子辐照)下的六个不同实验数据集,对模型进行了参数化。在较低温度下(93 和 298 K),单体扩散的影响很小,缺陷演化受碰撞级联内的环状成核的支配。在 93 和 298 K 温度下,电子能量损失较大(单次 6 MeV Si 和双次同时 Xe & ;Si 离子辐照),对另外四个实验数据集的分析需要修改单体扩散系数。在单硅离子辐照的情况下,演化与温度无关,电子激发和电离导致的扩散增强可通过在单体扩散系数中加入热分量得到最好的捕捉。在氙和amp; 硅离子双重辐照的情况下,硅离子引起的电子激发会影响氙离子预先产生的缺陷,并通过硅离子热尖峰引起的局部加热来增强缺陷扩散。人为地提高辐照温度最能体现这种效果。
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引用次数: 0
On the product phases and the reaction kinetics of carbothermic reduction of UO2+C at relatively low temperatures 相对低温下 UO2+C 的碳热还原产物相和反应动力学
IF 2.8 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-02 DOI: 10.1016/j.jnucmat.2024.155495
Chinthaka M. Silva , Kyle J. Kondrat , Bradley C. Childs , Maryline G. Ferrier , Michelle M. Greenough , Kiel S. Holliday , Scott J. McCormack
The synthesis of UC using carbothermic reduction of UO2 and C mixtures has been well studied at high temperatures. However, the product phase behavior of carbothermic reduction at low temperatures (≤1773 K) is not well studied. Such a study is important as low temperatures permit single phase UC synthesis without forming secondary higher carbides, and it further supports the knowledge base of the process that needs to be used for transuranic elements such as plutonium that have high vapor pressures at elevated temperatures. Therefore, a low temperature carbothermic reduction of two different C/UO2 molar ratios under inert and reducing environments have been studied here. Two different sample holding crucibles, alumina (Al2O3) and graphite, were also used here to differentiate the hypostoichiometric (UC1-a) and oxygen dissolved (UC1-xOx) uranium monocarbide phases adding more details on the two systems. Also, the reaction kinetics involved in the formation of UC via the carbothermic reduction of UO2+C using product phases instead of evolved gases such as carbon monoxide is reported here. Under inert atmospheres but with significant oxygen partial pressures, the low temperature carbothermic reduction of UO2+C produced up to 90 wt.% UC1-xOx type oxycarbides as was confirmed by Xray powder diffraction. Reducing Ar-4%H2 environments at these temperatures were not successful in synthesizing UC as it reduces the amount of C required for the carbothermic reduction, leaving UC phase at a non-equilibrium state. Inert atmospheres with low or negligible oxygen partial pressures on the other hand produced near stoichiometric UC at high phase purity, especially at 1673 – 1773 K temperature range. An activation energy of 377±75 kJmol-1 was also calculated using product phase concentrations of the carbothermic reduction of UO2+C under these inert Ar(g) atmospheres.
利用二氧化铀和碳混合物的碳热还原法合成 UC 在高温条件下的研究进展顺利。然而,在低温(≤1773 K)下碳热还原的产物相行为却没有得到很好的研究。这种研究非常重要,因为低温允许单相 UC 合成,而不会形成次生高碳化合物,它还进一步支持了需要用于在高温下具有高蒸汽压的钚等超铀元素的工艺知识库。因此,本文研究了在惰性和还原环境下两种不同 C/UO2 摩尔比的低温碳热还原。这里还使用了氧化铝(Al2O3)和石墨两种不同的样品盛放坩埚来区分次碳化铀(UC1-a)和溶氧铀(UC1-xOx),从而为这两个系统增加了更多细节。此外,本文还报告了通过使用产物相而不是一氧化碳等挥发气体对 UO2+C 进行碳热还原形成 UC 的反应动力学。X 射线粉末衍射证实,在惰性气氛但氧分压很大的条件下,UO2+C 的低温碳热还原产生了高达 90 wt.% 的 UC1-xOx 型氧碳化物。在这些温度下,还原 Ar-4%H2 环境不能成功合成 UC,因为它减少了碳热还原所需的 C 量,使 UC 相处于非平衡状态。另一方面,在氧分压较低或可以忽略不计的惰性气氛中,特别是在 1673 - 1773 K 的温度范围内,可以产生接近于化学计量的高纯度 UC。在这些惰性气氛 Ar(g) 下,利用 UO2+C 的碳热还原产物相浓度计算出的活化能为 377±75 kJmol-1。
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引用次数: 0
Small punch test size reduction to enable high flux irradiation 缩小小冲头试验尺寸,实现高通量辐照
IF 2.8 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.jnucmat.2024.155491
Ziwei Li , Dmitry Terentyev , Stefan Holmström , Thomas Pardoen
Screening and qualification of new nuclear materials with superior irradiation resistance requires expensive irradiation exposure and post-irradiation examination before consideration into industrial nuclear structural components. The development of miniaturized test methods is needed for enhanced cost/time efficient testing, while enabling comparative and robust material property estimation in a timely and high throughput manner. The Small Punch Test (SPT) is drawing much interest, especially since the publication of an European standard. Motivated by this standard, a new SP test sample geometry is proposed in order to reduce the material volume to be tested, hences increasing the number of samples that can be introduced in an irradiation rig. The modified sample diameter has been reduced from 8 to 5.35 mm. The qualification of this new design is described here together with a detailed description of the SPT setup modification as compared to the reference setup of the EN standard. Finite element analyses and a series of experiments have been conducted using both standard and reduced size SP samples to demonstrate that the modified test gives estimates of the basic mechanical properties with the same magnitude of error and validates the modified sample geometry for usage in irradiated material testing.
筛选和鉴定具有优异抗辐照性能的新型核材料需要昂贵的辐照和辐照后检查,然后才能考虑将其用于工业核结构组件。需要开发小型化测试方法,以提高测试的成本/时间效率,同时及时、高通量地进行比较和稳健的材料性能评估。小冲压试验(SPT)备受关注,尤其是在欧洲标准发布之后。在该标准的推动下,我们提出了一种新的 SP 测试样品几何形状,以减少待测材料的体积,从而增加辐照装置中可引入的样品数量。修改后的样品直径从 8 毫米减小到 5.35 毫米。本文介绍了这一新设计的鉴定情况,并详细描述了与 EN 标准参考设置相比 SPT 设置的修改情况。我们使用标准和缩小尺寸的 SP 样品进行了有限元分析和一系列实验,以证明改进后的测试能以相同的误差估算基本机械性能,并验证了改进后的样品几何形状可用于辐照材料测试。
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引用次数: 0
Microstructure and mechanical performance of cold spray Cr coatings 冷喷铬涂层的微观结构和机械性能
IF 2.8 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.jnucmat.2024.155492
Ioannis Alakiozidis , Callum Hunt , Albert D. Smith , Mia Maric , Zaheen Shah , Antoine Ambard , Philipp Frankel
Cold spray deposition has emerged as a promising method for applying protective coatings in the nuclear industry, particularly for enhancing the accident tolerance of fuel assemblies. In this process, helium gas is often used to propel solid powder particles towards the target substrate, however, nitrogen gas is also considered due to its significantly lower cost. In this study, we investigate the influence of nitrogen and helium gas as propellants on the properties and microstructure of pure chromium (Cr) coatings on zirconium (Zr) alloy cladding tubes. Employing Scanning Electron Microscopy (SEM) and electron and x-ray diffraction techniques (EBSD, XRD), we explore the structural characteristics of the coatings. Additionally, in-situ SEM tensile testing at room temperature, coupled with Digital Image Correlation (DIC), is utilized to assess the coating cracking behaviour. Our findings reveal distinct differences in coating morphology and residual stress between nitrogen and helium propelled Cr coatings. The nitrogen-propelled coating exhibits a more porous structure with smoother coating/substrate interfaces and lower compressive residual stress compared to the helium-propelled one. This results in earlier strain-induced crack initiation and higher crack density at lower strains (0.5–2%). However, at higher strains (2–5%), both coatings demonstrate identical crack saturation densities (saturated number of cracks per unit length), accompanied by similar crack toughening mechanisms and evidence of shear strain bands at intercrack regions, indicative of plasticity onset.
冷喷沉积已成为核工业应用保护涂层的一种很有前途的方法,特别是用于提高燃料组件的事故耐受性。在这一过程中,通常使用氦气将固体粉末颗粒推向目标基底,但由于氮气的成本明显较低,因此也考虑使用氮气。在本研究中,我们研究了氮气和氦气作为推进剂对锆(Zr)合金覆层管上纯铬(Cr)涂层的性能和微观结构的影响。我们采用扫描电子显微镜(SEM)以及电子和 X 射线衍射技术(EBSD、XRD)来探索涂层的结构特征。此外,我们还利用室温下的原位扫描电子显微镜拉伸测试和数字图像相关性(DIC)来评估涂层的开裂行为。我们的研究结果表明,氮气和氦气推进的铬涂层在涂层形态和残余应力方面存在明显差异。与氦气推进的涂层相比,氮气推进的涂层表现出更多孔的结构,涂层/基体界面更光滑,压缩残余应力更低。因此,在较低应变(0.5%-2%)时,应变诱发的裂纹萌发较早,裂纹密度较高。然而,在较高应变(2%-5%)下,两种涂层显示出相同的裂纹饱和密度(单位长度上的饱和裂纹数),并伴有类似的裂纹增韧机制和裂纹间区域的剪切应变带,表明塑性开始出现。
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引用次数: 0
Improved approaches for small punch test to estimate the yield and ultimate tensile strength of metallic materials 小冲压试验估算金属材料屈服强度和极限拉伸强度的改进方法
IF 2.8 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-31 DOI: 10.1016/j.jnucmat.2024.155490
Jiru Zhong , Mingtao Yang , Xinfu He , Kaishu Guan , Bintao Yu , Zhuangzhuang He
The small punch test (SPT) has been used extensively in nuclear industries to estimate mechanical properties changes of metals due to irradiation. This paper aims to propose more accurate approaches for SPT to estimate the yield and ultimate tensile strength of metals. The relationship between the SPT force and the yield and ultimate tensile strength of materials was studied by using finite element simulation data, and then three approaches were developed to determine tensile properties of materials by means of SPT. Force method and Slop method were developed to derive the ultimate tensile strength of metals from SPT curves, and Area method was proposed to determine the yield and ultimate tensile strength of metals. The accuracy of these approaches were verified by two candidate structural material for fusion reactors (CLF-1 steel and 9Cr-ODS steel) and other 10 structural materials. Area method gives more accurate evaluation on the yield strength of metals than the correlation method given in European standard on SPT. In addition, the developed approaches have advantages in estimating the tensile properties of low ductility metals.
小冲压试验(SPT)已被广泛应用于核工业,以估算辐照导致的金属机械性能变化。本文旨在提出更精确的 SPT 方法,以估算金属的屈服强度和极限抗拉强度。利用有限元模拟数据研究了 SPT 力与材料屈服强度和极限抗拉强度之间的关系,然后开发了三种方法来通过 SPT 确定材料的拉伸性能。开发了力法和 Slop 法,从 SPT 曲线推导出金属的极限抗拉强度,并提出了面积法来确定金属的屈服强度和极限抗拉强度。聚变反应堆的两种候选结构材料(CLF-1 钢和 9Cr-ODS 钢)和其他 10 种结构材料验证了这些方法的准确性。与欧洲 SPT 标准中给出的相关方法相比,区域方法能更准确地评估金属的屈服强度。此外,所开发的方法在估算低延展性金属的拉伸性能方面也具有优势。
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引用次数: 0
Corrigendum to “Thermal corrosion behavior of Inconel 693, Hastelloy N and 310S in ceramic waste forming reactions” [J. Nucl. Mater. 603(2025)155416] 对 "Inconel 693、哈氏合金 N 和 310S 在陶瓷废料成型反应中的热腐蚀行为 "的更正[J. Nucl. Mater. 603(2025)155416]
IF 2.8 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-31 DOI: 10.1016/j.jnucmat.2024.155468
Zongyao Ge , Shengheng Tan , Yingju Li , Liangjin Bao , Xiaohui Feng , Tianyu Liu , Yuansheng Yang
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引用次数: 0
Microstructure evolution and high temperature air oxidation behaviour of thick Cr coatings at 1200°C 1200°C 下厚铬涂层的微观结构演变和高温空气氧化行为
IF 2.8 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-31 DOI: 10.1016/j.jnucmat.2024.155489
Qingsong Chen , Jun Yi , Qing Li , Xiong Jiang , Xifan Ding , Xi Zhou , Maolin Zhao , Chunhai Liu , Jijun Yang
The thick Cr coated Zr-4 alloys were prepared by magnetron sputtering deposition and their microstructure evolution and high-temperature air oxidation behaviour were investigated. Oxidation tests showed that the thick Cr coatings can improve the high-temperature air oxidation resistance of Zr-4 alloy even if the α-Zr(O) layer was formed at some regions. The mechanism of high-temperature air oxidation was also discussed in detail, and these experimental results could provide data for establishing a reliable prediction model of this degradation.
通过磁控溅射沉积制备了厚铬涂层 Zr-4 合金,并研究了其微观结构演变和高温空气氧化行为。氧化试验表明,即使在某些区域形成了α-Zr(O)层,厚铬涂层也能提高 Zr-4 合金的高温空气抗氧化性。此外,还详细讨论了高温空气氧化的机理,这些实验结果可为建立可靠的降解预测模型提供数据。
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引用次数: 0
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Journal of Nuclear Materials
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