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Properties of radiation defects and threshold energy of displacement in zirconium hydride obtained by new deep-learning potential

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Chinese Physics B 2024年第7期33卷 456-465页

作者：王玺唐孟蒋明璇陈阳春刘智骁邓辉球 School of Physics and Electronics Hunan UniversityChangsha 410082China College of Materials Science and Engineering Hunan UniversityChangsha 410082China

Zirconium hydride(ZrH_(2)) is an ideal neutron moderator material. However, radiation effect significantly changes its properties, which affect its behavior and the lifespan of the reactor. The threshold energy of displacement is an important quantity of the number of radiation defects produced, which helps us to predict the evolution of radiation defects in ZrH_(2).Molecular dynamics(MD) and ab initio molecular dynamics(AIMD) are two main methods of calculating the threshold energy of displacement. The MD simulations with empirical potentials often cannot accurately depict the transitional states that lattice atoms must surpass to reach an interstitial state. Additionally, the AIMD method is unable to perform largescale calculation, which poses a computational challenge beyond the simulation range of density functional theory. Machine learning potentials are renowned for their high accuracy and efficiency, making them an increasingly preferred choice for molecular dynamics simulations. In this work, we develop an accurate potential energy model for the ZrH_(2) system by using the deep-potential(DP) method. The DP model has a high degree of agreement with first-principles calculations for the typical defect energy and mechanical properties of the ZrH_(2) system, including the basic bulk properties, formation energy of point defects, as well as diffusion behavior of hydrogen and zirconium. By integrating the DP model with Ziegler–Biersack–Littmark(ZBL) potential, we can predict the threshold energy of displacement of zirconium and hydrogen in ε-ZrH_(2).

关键词： zirconium hydride deep learning potential radiation defects molecular dynamics threshold energy of displacement

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Predictive defect detection for prototype additive manufacturing based on multi-layer susceptibility discrimination

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Advances in Manufacturing 2023年第3期11卷 407-427页

作者： Jing-Hua Xu Lin-xuan Wang Shu-You Zhang Jian-Rong tan State Key Lab of Fluid Power and Mechatronic Systems Zhejiang UniversityHangzhou 310058People's Republic of China Zhejiang Key Lab of Advanced Manufacturing Technology Zhejiang UniversityHangzhou 310058People's Republic of China Engineering Research Centre for Design Engineering and Digital Twin of Zhejiang Province Hangzhou 310058People's Republic of China Zhejiang-Singapore Innovation and AI Joint Research Lab Hangzhou 310027People's Republic of China

This paper presents a predictive defect detection method for prototype additive manufacturing(AM)based on multilayer susceptibility discrimination(MSD).Most current methods are significantly limited by merely captured images,disregarding the differences between layer-by-layer manufacturing approaches,without combining transcendental *** visible parts,originating from the prototype of conceptual design,are determined based on spherical flipping and convex hull theory,on the basis of which theoretical template image(TTI)is rendered according to photorealistic *** addition,to jointly consider the differences in AM processes,the finite element method(FEM)of transient thermal-structure coupled analysis was conducted to probe susceptible regions where defects appeared with a higher *** by prior knowledge acquired from the FEM analysis,the MSD with an adaptive threshold,which discriminated the sensitivity and susceptibility of each layer,was implemented to determine *** anomalous regions were detected and refined by superimposing multiple-layer anomalous regions and comparing the structural features extracted using the Chan-Vese(CV)model.A physical experiment was performed via digital light processing(DLP)with photosensitive resin of a non-faceted scaled V-shaped engine block prototype with cylindrical holes using a non-contact *** MSD method is practical for detecting defects and is valuable for a deeper exploration of barely visible impact damage(BVID),thereby reducing the defect of prototypical mechanical parts in engineering machinery or process equipment via intellectualized machinevision.

关键词： Predictive defects detection Additive manufacturing(AM) Convex hull theory Finite element method(FEM) Multi-layer susceptibility discrimination(MSD)

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Buckling analysis of planar linear uniform deployable structures consisting of scissor-like element in space under compression

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Science China(Technological Sciences) 2021年第3期64卷 493-507页

作者： LI Bo WANG SanMin tan u-xuan School of Mechanical and Precision Instrument Engineering Xi’an University of TechnologyXi’an 710048China Department of Engineering Product Development Singapore University of Technology and DesignSingapore 487372Singapore School of Mechanical Engineering Northwestern Polytechnical UniversityXi’an 710072China

This paper comprehensively investigates the buckling load and the stability of a planar linear array deployable structure composed of scissor-like element(SLE)under *** present,the researches on deployable structure are mainly focused on configuration design and dynamics characteristics of the mechanisms,but less on structural *** fact,when the external load exceeds the structural critical load value,the deployable structure will be permanently deformed or even collapse directly and no longer have any bearing *** address this issue,a new stability model is derived using linear elastic analysis method and substructure method to evaluate the buckling characteristics of the deployable structure with n SLEs when it is carried out in space,which can accurately obtain the structural instability load and can be used quantitatively to optimize the structure for making it have the most stable *** addition,the effects of the number of elements,the length,material properties and flexibility of the bar,and the deployment degree on the buckling of the scissor deployable structure are investigated,and the results of the theoretical analysis are compared with simulation and analytical results,respectively,confirming that the proposed stability model not only is able to effectively predict the structural instability load but also determine which part of the deployable structure is *** can be concluded that the stability of the deployable structure gradually decreases with the increase of the number of elements or the bar *** the calculation process,the critical load of each sub-element should be considered,and the minimum value of the critical loads of all subunits can be regarded as the instability load of the whole structure.

关键词： deployable structure stability analysis buckling load sub structure linear array simulation

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Dimensionality-driven metal to Mott insulator transition in two-dimensional 1T-TaSe2

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National Science Review 2024年第3期11卷 108-118页

作者： Ning Tian Zhe Huang Bo Gyu Jang Shuaifei Guo Ya-Jun Yan Jingjing Gao Yijun Yu Jinwoong Hwang Cenyao tang Meixiao Wang xuan Luo Yu Ping Sun Zhongkai Liu Dong-Lai Feng Xianhui Chen Sung-Kwan Mo Minjae Kim Young-Woo Son Dawei Shen Wei Ruan Yuanbo Zhang State Key Laboratory of Surface Physics New Cornerstone Science Laboratory and Department of PhysicsFudan University Shanghai Qi Zhi Institute Shanghai Research Center for Quantum Sciences Institute for Nanoelectronic Devices and Quantum Computing Fudan University Zhangjiang Fudan International Innovation Center Fudan University State Key Laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information Technology(SIMIT)Chinese Academy of Sciences School of Physical Science and Technology ShanghaiTech University Korea Institute for Advanced Study School of Emerging Technology and Department of Physics University of Science and Technology of China Advanced Light Source Lawrence Berkeley National Laboratory ShanghaiTech Laboratory for Topological Physics Key Laboratory of Materials Physics Institute of Solid State Physics Hefei Institutes of Physical ScienceChinese Academy of Sciences High Magnetic Field Laboratory Hefei Institutes of Physical Science Chinese Academy of Sciences Collaborative Innovation Centre of Advanced Microstructures Nanjing University Department of Physics University of Science and Technology of China and Key Laboratory of Strongly Coupled Quantum Matter Physics Chinese Academy of Sciences National Synchrotron Radiation Laboratory University of Science and Technology of China

Two-dimensional materials represent a major frontier for research into exotic many-body quantum phenomena. In the extreme two-dimensional limit, electron-electron interaction often dominates over other electronic energy scales, leading to strongly correlated effects such as quantum spin liquid and unconventional *** dominance is conventionally attributed to the lack of electron screening in the third dimension. Here, we discover an intriguing metal to Mott insulator transition in 1T-TaSe2that defies conventional wisdom. Specifically, we find that dimensionality crossover, instead of reduced screening, drives the transition in atomically thin 1T-TaSe2. A dispersive band crossing the Fermi level is found to be responsible for the bulk metallicity in the material. Reducing the dimensionality,however, effectively quenches the kinetic energy of these initially itinerant electrons, and drives the material into a Mott insulating *** dimensionality-driven metal to Mott insulator transition resolves the long-standing dichotomy between metallic bulk and insulating surface of 1T-TaSe2. Our work further reveals a new pathway for modulating two-dimensional materials that enables exploring strongly correlated systems across uncharted parameter space.

关键词： two-dimensional materials 1T-TaSe2 dimensionality crossover metal to Mott insulator transition

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Alternate day fasting aggravates atherosclerosis through the suppression of hepatic ATF3 in Apoe^(-/-)mice

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Life Metabolism 2024年第3期3卷 46-59页

作者： Yajuan Deng Xiaoyu Yang Xueru Ye Youwen Yuan Yanan Zhang Fei Teng Danming You xuan Zhou Wenhui Liu Kangli Li Shenjian Luo Zhi Yang Ruxin Chen Guojun Shi Jin Li Huijie Zhang Department of Endocrinology and Metabolism Nanfang HospitalSouthern Medical UniversityGuangzhouGuangdong 510515China Guangdong Provincial Key Laboratory of Shock and Microcirculation Nanfang HospitalSouthern Medical UniversityGuangzhouGuangdong 510515China State Key Laboratory of Organ Failure Research National Clinical Research Center for Kidney DiseaseNanfang HospitalSouthern Medical UniversityGuangzhouGuangdong 510515China Department of Endocrinology The Second Hospital of Shanxi Medical UniversityShanxi Medical UniversityTaiyuanShanxi 030001China Department of Endocrinology and Metabolism Guangdong Provincial Key Laboratory of DiabetologyThe Third Affiliated Hospital of Sun Yat-sen UniversityGuangzhouGuangdong 510630China

Atherosclerosis is the major contributor to cardiovascular mortality *** day fasting(ADF)has gained growing attention due to its metabolic ***,the effects of ADF on atherosclerotic plaque formation remain inconsistent and controversial in atherosclerotic animal *** present study was designed to investigate the effects of ADF on atherosclerosis in apolipoprotein E-deficient(Apoe^(-/-))***-week-old male Apoe^(-/-)mice fed with Western diet(WD)were randomly grouped into ad libitum(AL)group and ADF group,and ADF aggravated both the early and advanced atherosclerotic lesion formation,which might be due to the disturbed cholesterol profiles caused by ADF *** significantly altered cholesterol metabolism pathways and down-regulated integrated stress response(ISR)in the *** hepatic expression of activating transcription factor 3(ATF3)was suppressed in mice treated with ADF and hepatocyte-specific overexpression of Aft3 attenuated the effects of ADF on atherosclerotic plaque formation in Apoe^(-/-)***,the expression of ATF3 could be regulated by Krüppel-like factor 6(KLF6)and both the expressions of ATF3 and KLF6 were regulated by hepatic cellular ISR *** conclusion,ADF aggravates atherosclerosis progression in Apoe^(-/-)mice fed on *** inhibits the hepatic ISR signaling pathway and decreases the expression of KLF6,subsequently inhibiting ATF3 *** suppressed ATF3 expression in the liver mediates the deteriorated effects of ADF on atherosclerosis in Apoe^(-/-)*** findings suggest the potentially harmful effects when ADF intervention is applied to the population at high risk of atherosclerosis.

关键词： alternate day fasting atherosclerosis cholesterol integrated stress response activating transcription factor 3

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“印太战略”视域下美国太平洋岛国政策论析

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亚太经济 2024年第1期 108-119页

作者：丑则静郭晓萱国际关系学院国际政治系北京100091 南开大学周恩来政府管理学院天津300350

美国“印太战略”出台与全面强化后,太平洋岛国的战略价值被不断抬升。美国从安全、经济与意识形态多领域系统加强了对太平洋岛国的争夺,其政策体系趋于完善。在大国竞争回归背景下,中国在太平洋岛国地区的存在与影响力上升引发了美国... 详细信息

美国“印太战略”出台与全面强化后,太平洋岛国的战略价值被不断抬升。美国从安全、经济与意识形态多领域系统加强了对太平洋岛国的争夺,其政策体系趋于完善。在大国竞争回归背景下,中国在太平洋岛国地区的存在与影响力上升引发了美国等西方发达国家的战略焦虑,美国正将太平洋岛国视作“印太战略”与对华战略竞争的重点推进地区。然而,在“竞赢”中国、霸权护持战略目标支配下的美国太平洋岛国政策,表现出对地区和平稳定、发展繁荣及应对气候变化等核心关切的漠视,在导致太平洋岛国地区阵营化、大国竞争化与意识形态化风险上升的同时,其政策限度不断显现。

关键词： “印太战略” 美国太平洋岛国政策政策限度

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Controllable step-flow growth of GaN on patterned freestanding substrate

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Journal of Semiconductors 2024年第2期45卷 46-50页

作者： Peng Wu Jianping Liu Lei Hu Xiaoyu Ren Aiqin Tian Wei Zhou Fan Zhang xuan Li Masao Ikeda Hui Yang Key Laboratory of Nanodevices and Applications Suzhou Institute of Nano-tech and Nano-BionicsChinese Academy of SciencesSuzhou 215123China School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China Shanghai Advanced Research Institute Chinese Academy of SciencesShanghai 201210China university of Chinese Academy of Sciences Beijing 100049China

A new kind of step-flow growth mode is proposed,which adopts sidewall as step source on patterned GaN *** terrace width of steps originated from the sidewall was found to change with the growth temperature and ammonia *** growth mechanism is explained and simulated based on step motion *** work helps better understand the behaviors of step advancement and puts forward a method of precisely modulating atomic steps.

关键词： step-flow growth GaN terrace width step motion

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WDR82在神经胶质瘤发生发展中的作用及其机制

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解放军医学杂志 2024年第7期49卷 832-840页

作者：高云葛俊苗王烜杨臻空军军医大学第一附属医院神经外科陕西西安710032 南开大学/天津市人民医院检验学部天津300321

目的探讨WD重复结构域82(WDR82)蛋白在神经胶质瘤发生发展中的作用及其机制。方法利用GEPIA和uALCAN数据库分析WDR82在神经胶质瘤组织中的表达情况;采用Kaplan-Meier生存分析WDR82表达与神经胶质瘤患者预后的关系。采用组织芯片进行免... 详细信息

目的探讨WD重复结构域82(WDR82)蛋白在神经胶质瘤发生发展中的作用及其机制。方法利用GEPIA和uALCAN数据库分析WDR82在神经胶质瘤组织中的表达情况;采用Kaplan-Meier生存分析WDR82表达与神经胶质瘤患者预后的关系。采用组织芯片进行免疫组织化学染色检测WDR82在神经胶质瘤组织及其癌旁组织中的表达情况。取人胶质瘤A172和u251细胞,设置对照组(转染3μg pcDNA3)、p WDR82组(转染3μg pWDR82)、shR-Con组(转染3μg pSilencer2.1-u6)、shR-WDR82组(转染3μg shR-WDR82)。转染48 h后,采用q RT-PCR验证各组转染效率;CCK-8法检测转染48 h的细胞活性,克隆形成实验检测转染后14 d的细胞增殖能力,流式细胞术检测转染48 h的细胞凋亡情况;Western blotting检测转染48 h细胞中增殖相关蛋白及Akt/mTOR信号通路相关蛋白的表达。采用体内荷瘤实验检测WDR82对NOD-SCID小鼠肿瘤生长的影响。结果GEPIA和uALCAN数据库分析及免疫组织化学染色结果显示,WDR82在神经胶质瘤组织中的表达水平明显高于癌旁正常组织(P0.05)。Kaplan-Meier生存分析结果显示,高表达WDR82的神经胶质瘤患者的预后不良(log-rank P=0.029)。过表达WDR82可明显促进A172和u251细胞的增殖,抑制细胞凋亡,明显增高A172和u251细胞中MKI67、BCL2、CCND1、p-Akt和p-mTOR的表达(Pu251细胞的增殖,促进细胞凋亡,降低MKI67、BCL2、CCND1、p-Akt和p-mTOR的表达(Pu251细胞中的WDR82,可明显抑制荷瘤NOD-SCID小鼠肿瘤的生长(P<0.05)。结论高表达WDR82可能通过调控Akt/mTOR信号通路促进神经胶质瘤细胞的增殖及体内肿瘤的生长。

关键词： WDR82 神经胶质瘤增殖凋亡 Akt/mTOR信号通路小鼠 NOD-SCID

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拉速对30Cr13连铸板坯中碳化物尺寸和分布的影响

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钢铁 2024年第2期59卷 147-156页

作者：张静赵璇李实张立峰燕山大学车辆与能源学院河北秦皇岛066044 燕山大学机械工程学院河北秦皇岛066004 宝钢股份中央研究院不锈钢技术中心上海201999 北方工业大学机械与材料工程学院北京100144

30Cr13是一种优秀的刀具用马氏体不锈钢,连铸技术的发展使其生产效率大大提高。拉速是连续铸钢过程中一个重要的工艺参数和技术指标,当连铸拉速不适当时,极易形成大量分布不均匀的碳化物,而碳化物的尺寸和分布是影响连铸板坯质量的关键... 详细信息

30Cr13是一种优秀的刀具用马氏体不锈钢,连铸技术的发展使其生产效率大大提高。拉速是连续铸钢过程中一个重要的工艺参数和技术指标,当连铸拉速不适当时,极易形成大量分布不均匀的碳化物,而碳化物的尺寸和分布是影响连铸板坯质量的关键因素。以30Cr13连铸板坯为研究对象,利用电镜、光镜、X射线衍射技术等,对拉速为0.75、0.80和0.85 m/min的连铸板坯中不同凝固组织处碳化物的形状、尺寸和类型进行了分析统计。结合凝固组织形貌研究了拉速对30Cr13连铸板坯中碳化物的影响,总结了拉速对碳化物影响的规律。研究表明,碳化物的主要形状为簇状、块状和条状,主要组成元素为铁、铬和碳,并确定了碳化物的主要类型为(Fe,Cr)_(7)C_(3)和(Fe,Cr)(23)C_(6)。发现“白亮带”处无碳化物存在,在“白亮带”之间的试样中出现了大量碳化物,连铸板坯中心处碳化物最多。拉速对碳化物的形状、类型和存在位置影响较小,而对碳化物的数量、尺寸影响较大。随着拉速的增大,碳化物总面积占比和数密度先减小再增大,在拉速为0.8 m/min时连铸板坯中碳化物面积占比和数密度最低,这一变化与不同拉速下碳偏析指数偏离正常值的程度趋势相同。随着拉速的增大,小尺寸碳化物占比逐渐增大,大尺寸碳化物占比几乎为0。采用0.80 m/min的拉速可以很好地控制连铸板坯中碳化物的尺寸分布,改善连铸板坯的质量。

关键词：连铸板坯凝固组织拉速碳化物尺寸分布

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碳纤维复合材料飞机蒙皮表面漆层激光清洗工艺研究

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中国激光 2024年第12期51卷 72-85页

作者：顾军义李文琴苏轩徐杰郭斌哈尔滨工业大学(深圳)材料科学与工程学院广东深圳518055 哈尔滨工业大学郑州研究院河南郑州450046 哈尔滨工业大学微系统与微结构制造教育部重点实验室黑龙江哈尔滨150080

激光清洗碳纤维增强树脂基复合材料(CFRP)表面涂层一直面临着形貌破坏与基体过热的风险。为了明晰工艺参数对激光清洗CFRP飞机蒙皮表面油漆的影响规律,探究CFRP表面油漆的激光清洗机理,进行了红外纳秒激光清洗CFRP表面油漆的实验。首先... 详细信息

激光清洗碳纤维增强树脂基复合材料(CFRP)表面涂层一直面临着形貌破坏与基体过热的风险。为了明晰工艺参数对激光清洗CFRP飞机蒙皮表面油漆的影响规律,探究CFRP表面油漆的激光清洗机理,进行了红外纳秒激光清洗CFRP表面油漆的实验。首先利用田口正交阵列开展了不同参数下的清洗实验。随后采用信噪比(S/N)与方差分析(ANOVA)探讨了激光功率、扫描速度、搭接率与重复频率等工艺参数对油漆清洗深度、表面粗糙度和清洗温度的影响。最后借助红外热成像与高速摄像技术,对激光清洗过程中的温度响应、羽流形成与消逝及漆层动态行为进行了观测。研究结果表明:搭接率是影响清洗深度、表面粗糙度和清洗温度的最主要参数,扫描速度与激光功率的影响同样显著,而重复频率的影响不显著。CFRP表面油漆的激光去除机制主要以激光热效应造成的热烧蚀、气化为主。

关键词：激光技术激光清洗碳纤维增强复合材料除漆机理清洗工艺

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