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A deep learning interatomic potential suitable for simulating radiation damage in bulk tungsten

Tungsten 2024年第2期6卷 304-322页

作者： Chang-Jie Ding Ya-Wei Lei Xiao-Yang Wang Xiao-Lin Li Xiang-Yan Li Yan-Ge Zhang Yi-Chun Xu Chang-Song Liu xue-bang wu Key Laboratory of Materials Physics Institute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei 230031China Science Island University of Science and Technology of ChinaHefei 230026China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China

So far, it has been a challenge for existing interatomic potentials to accurately describe a wide range of physical properties and maintain reasonable efficiency. In this work, we develop an interatomic potential for simulating radiation damage in body-centered cubic tungsten by employing deep potential, a neural network-based deep learning model for representing the potential energy surface. The resulting potential predicts a variety of physical properties consistent with first-principles calculations, including phonon spectrum, thermal expansion, generalized stacking fault energies, energetics of free surfaces, point defects, vacancy clusters, and prismatic dislocation loops. Specifically, we investigated the elasticity-related properties of prismatic dislocation loops, i.e., their dipole tensors, relaxation volumes, and elastic interaction energies. This potential is found to predict the maximal elastic interaction energy between two 1/2 loops better than previous potentials, with a relative error of only 7.6%. The predicted threshold displacement energies are in reasonable agreement with experimental results, with an average of 128 eV. The efficiency of the present potential is also comparable to the tabulated gaussian approximation potentials and modified embedded atom method potentials, meanwhile, can be further accelerated by graphical processing units. Extensive benchmark tests indicate that this potential has a relatively good balance between accuracy, transferability, and efficiency.

关键词： Machine learning Deep learning Interatomic potential Radiation damage Tungsten

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Interaction of radiation-induced defects with tungsten grain boundaries at across scales: a short review

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Tungsten 2020年第1期2卷 15-33页

作者： Xiang‑Yan Li Yan‑Ge Zhang Yi‑Chun Xu Xue‑Bang Wu Xiang‑Shan Kong Xian‑Ping Wang Qian‑Feng Fang Chang‑Song Liu Key Laboratory of Materials Physics Institute of Solid State PhysicsChinese Academy of SciencesHefei 230031China Key Laboratory for Liquid‑Solid Structural Evolution and Processing of Materials(Ministry of Education) Shandong UniversityJinan 250061China

As promising candidates for plasma-facing materials,tungsten-based materials suffer the irradiation of high-energy neutrons in addition to the hydrogen isotopes and helium irradiation and the high-thermal flux.Radiation-produced defects,e.***.self-interstitial atoms(SIAs)and vacancies(Vs),can induce the hardening and embrittlement of tungsten,meanwhile enhancing the retention of hydrogen isotopes and helium in tungsten.Reducing the grain size of materials to introduce a high density of defect sinks,e.g.,grain boundaries(GBs)prevalent in nano-/ultrafine-crystalline materials,was demonstrated to be an effective approach for mitigating irradiation damage in tungsten.In this paper,we reviewed the theoretical advances in exploring radiation-resistance of nano-structured tungsten at across scales.It was concentrated on the results of molecular dynamics,molecular statics,and the object kinetic Monte Carlo simulations on the fundamental interaction of the radiation-created Vs and SIAs with the GB.These mechanisms include GB-promoted V/SIA migration and SIA-V recombination,interstitial-emission induced annihilation,coupling of the V migration close to the GB with the SIA motion within the GB,and interstitial reflection by the locally dense GB structure.We proposed the remaining scientific issues on the defect-GB interactions at across scales and their relation to experimental observations.We prospected the possible trends for simulating the radiation damage accumulation and healing processes in nano-structured tungsten in terms of the development of the across-scale computational techniques and efficiency of the GB-enhanced tolerance of tungsten to irradiation under complex in-service conditions.

关键词： Nano-crystalline Grain boundary Radiation-resistance Self-healing Radiation damage Tungsten

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Achieving a remarkable low-temperature tensile ductility in a high-strength tungsten alloy

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Tungsten 2024年第1期6卷 150-161页

作者： Xiang Cheng Zhuo-Ming Xie xue-Feng Xie Long-Fei Zeng Rui Liu Jun-Feng Yang xue-bang wu Xian-Ping Wang Chang-Song Liu Qiang-Feng Fang Key Laboratory of Materials Physics Institute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei 230031China University of Science and Technology of China Hefei 230026China Faculty of Materials Metallurgy and Chemistry Jiangxi University of Science and TechnologyGanzhou 341000China

Hot-swaging yields a high ultimate tensile strength of 712 MPa but a limited tensile ductility with the total elongation of3.6%at a testing temperature of 200℃in a representative W-0.5wt.%ZrC alloy.In this work,the evolution of Vickers microhardness with annealing temperatures is investigated in detail,which contributes to a rough index chart to guide the search for an optimized post-annealing temperature.Through the post-annealing around 1300℃,an outstanding tensile ductility at200℃,including a uniform elongation of 14%and a total elongation of~25%,has been achieved without the sacrifice of its strength.The evolution of dislocations and grain structures with the annealing temperatures accessed through backscattered scanning electron microscope and transmission electron microscope analysis reveals that the improved low-temperature tensile ductility has resulted from the reduction of residual dislocations and dislocation tanglement via the static recovery,which provides more room to accommodate dislocations,and hence stronger strain hardening ability and tensile ductility.

关键词： Tungsten Low-temperature ductility Annealing Dislocations

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An efficient TILLING platform for cultivated tobacco

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Journal of Integrative Plant Biology 2020年第2期62卷 165-180页

作者： Yu-Long Gao xue-Feng Yao Wen-Zheng Li Zhong-bang Song Bing-wu Wang Yu-Ping wu Jun-Li Shi Guan-Shan Liu Yong-Ping Li Chun-Ming Liu Key Laboratory of Tobacco Biotechnological Breeding National Tobacco Genetic Engineering Research CenterYunnan Academy of Tobacco Agricultural SciencesKunming 650021China Key Laboratory of Plant Molecular Physiology Institute of Botanythe Chinese Academy of SciencesBeijing 100093China The University of Chinese Academy of Sciences Beijing 100049China Tobacco Research Institute the Chinese Agriculture Academy of SciencesQingdao 266101China Institute of Crop Sciences the Chinese Academy of Agricultural SciencesBeijing 100081China

Targeting-induced local lesions in genomes(TILLING)is a powerful reverse-genetics tool that enables high-throughput screening of genomic variations in plants.Although TILLING has been developed for many diploid plants,the technology has been used in very few polyploid species due to their genomic complexity.Here,we established an efficient capillary electrophoresis-based TILLING platform for allotetraploid cultivated tobacco(Nicotiana tabacum L.)using an ethyl methanesulfonate(EMS)-mutagenized population of 1,536 individuals.We optimized the procedures for endonuclease preparation,leaf tissue sampling,DNA extraction,normalization,pooling,PCR amplification,heteroduplex formation,and capillary electrophoresis.In a test screen using seven target genes with eight PCR fragments,we obtained 118 mutants.The mutation density was estimated to be approximately one mutation per 106kb on average.Phenotypic analyses showed that mutations in two heavy metal transporter genes,HMA2S and HMA4T,led to reduced accumulation of cadmium and zinc,which was confirmed independently using CRISPR/Cas9 to generate knockout mutants.Our results demonstrate that this powerful TILLING platform(available at http://***)can be used in tobacco to facilitate functional genomics applications.

关键词： An efficient TILLING platform cultivated tobacco HMA

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Mechanical property and thermal shock behavior of tungsten-yttria-stabilized zirconia cermet fabricated by spark plasma sintering

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Tungsten 2024年第1期6卷 134-140页

作者： Lin-Chao Zhang Ke Jing Rui Liu Zhuo-Ming Xie Jun-Feng Yang Gang Li Xian-Ping Wang xue-bang wu Qian-Feng Fang Chang-Song Liu Key Laboratory of Materials Physics Institute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei 230031China University of Science and Technology of China Hefei 230026China Science and Technology on Reactor Fuel and Materials Laboratory Nuclear Power Institute of ChinaChengdu 610041China

The cermet fuels have been considered as a potential key component for the nuclear thermal propulsion,and the homogeneity of the fuel particles in the metal matrix plays a crucial role in stabilizing the structure at extremely high temperatures.In this work,liquid paraffin was used as additive to improve the distribution of yttria-stabilized zirconia(YSZ,an appropriate surrogate for UO_(2) fuel)microspheres in the tungsten(W)matrix,and the W-YSZ cermet wafers(volume ratio 1:1)with a relative density of 97.6%were fabricated by spark plasma sintering with a specifically designed program.The effects of the paraffin dosage(0-5 wt.%)on the homogeneity,microstructure,mechanical properties,and the thermal conductivity of W-YSZ cermet were investigated.The W-YSZ sample with 2 wt.%paraffin shows the highest homogeneity and exhibits the best comprehensive properties,including the ultimate tensile strength of 132.2 MPa at 600℃,the bending strength of455 MPa and thermal conductivity of 50 W·m^(-1)·K^(-1)at room temperature.Moreover,the cermet could keep structurally sound after thermal shocked at a heat load of 20 MW·m^(-2).These results would be helpful for the design and optimization of the cermet fuels in the nuclear thermal propulsion.

关键词： Nuclear thermal propulsion Tungsten Cermet Liquid paraffin Thermal shock

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OBSERVATION OF ENERGY DISSIPATION PEAK IN POLYSTYRENE MELT ABOVE T_g

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Chinese Journal of Polymer Science 2007年第6期25卷 629-633页

作者： Shu-ying Shang xue-bang wu Jia-peng Shui Zhen-gang Zhu Key Laboratory of Materials Physics Institute of Solid State Physics Chinese Academy of Sciences P.O. Box 1129 Hefei 230031 China

In this paper two different kinds of dynamic mechanical techniques （inversed torsion pendulum and energy dissipation apparatus） were used to study the dynamic behavior of atactic monodisperse polystyrene above glass transition. The plots of energy dissipation versus temperature were presented for two atactic polystyrene samples. An apparent energy dissipation peak occurred above Tg in each plot measured by the inversed torsion pendulum, and simultaneously the sample was found to flow assuredly at the moment. To exclude the influence of the flow and demonstrate there was a peak indeed above Tg, the energy dissipation apparatus was used, in which the samples were put into a cup. An obvious peak appeared, and it was in agreement with the peak observed by the inversed torsion pendulum. On basis of the results measured by the two kinds of apparatus, a conclusion is drawn that a peak occurrs above Tg, which gives a manifestation for the existence of the liquid-liquid transition.

关键词： Liquid-liquid transition Polystyrene Energy dissipation apparatus.

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发现最古老的超大质量黑洞

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科学通报 2022年第22期67卷 2605-2609页

作者：吴学兵北京大学物理学院天文学系北京100871 北京大学科维理天文与天体物理研究所北京100871

美国《科学新闻》(Science News)杂志网站在2021年12月20日的报道中,梳理了2021年度令人惊奇的六大科学纪录,其中天文学家发现的迄今最古老的巨大黑洞(即红移为7.642的类星体J0313-1806中心质量为16亿倍太阳质量的黑洞)名列榜首(图1),... 详细信息

美国《科学新闻》(Science News)杂志网站在2021年12月20日的报道中,梳理了2021年度令人惊奇的六大科学纪录,其中天文学家发现的迄今最古老的巨大黑洞(即红移为7.642的类星体J0313-1806中心质量为16亿倍太阳质量的黑洞)名列榜首(图1),这些新发现拓展了科学研究的极限和人类的想象力.本文将对这一发现迄今最古老巨大黑洞的研究过程及其科学意义进行简要解读,并对今后相关研究进行展望.

关键词：类星体黑洞太阳质量杂志网站科学研究想象力

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UO_2-碳纳米管复合燃料导热性能研究

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原子能科学技术 2016年第2期50卷 312-316页

作者：吴学志尹邦跃中国原子能科学研究院反应堆工程研究设计所北京102413

设计和制备了UO_2-碳纳米管（MWNTs）复合燃料芯块,研究了复合燃料的导热性能,分析了影响复合燃料热导率的关键因素。结果表明：复合燃料热导率主要与MWNTs的体积含量、界面和MWNTs的长径比有关。复合燃料的热导率随MWNTs体积含量的增... 详细信息

设计和制备了UO_2-碳纳米管（MWNTs）复合燃料芯块,研究了复合燃料的导热性能,分析了影响复合燃料热导率的关键因素。结果表明：复合燃料热导率主要与MWNTs的体积含量、界面和MWNTs的长径比有关。复合燃料的热导率随MWNTs体积含量的增加而升高,当体积含量超过10%时,提升效果进一步加强;界面对复合燃料的热导率影响显著,在1 521℃以上,UO_2会与MWNTs发生界面反应生成UC等界面相,阻碍了燃料热导率的提高。在1 450℃,热压烧结芯块的热导率提高25.65%,在1 650、1 700和1 750℃,无压烧结芯块的热导率分别提高了22.67%、20.32%和18.3%;复合燃料热导率随着MWNTs长径比的增大而升高,掺杂MWNTs的长径比分别为3×10~3、5×10~3、7×10~3和9×10~3时,燃料热导率分别提高了18.3%、19.93%、22.42%和25.09%。

关键词： UO2 碳纳米管复合燃料热导率界面

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环形薄壁Al-UO_2弥散芯块的制备工艺

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原子能科学技术 2014年第11期48卷 2094-2100页

作者：尹邦跃吴学志中国原子能科学研究院反应堆工程研究设计所北京102413

本文研究了环形薄壁Al-20%UO2弥散芯块的热压烧结和无压烧结工艺,分析了芯块的性能。研究发现:真空热压烧结弥散芯块的密度较低,且易出现开裂问题;真空无压烧结能制备合格的Al-20%UO2弥散芯块。对Al粉进行PVA湿法造粒,再与UO2粉末进行... 详细信息

本文研究了环形薄壁Al-20%UO2弥散芯块的热压烧结和无压烧结工艺,分析了芯块的性能。研究发现:真空热压烧结弥散芯块的密度较低,且易出现开裂问题;真空无压烧结能制备合格的Al-20%UO2弥散芯块。对Al粉进行PVA湿法造粒,再与UO2粉末进行两步均匀混合,在550MPa成型,Al-20%UO2压块的成型相对密度达93.45%,外径和内径的弹性后效分别为0.455%和0.194%。在490℃、4×10-2 Pa真空无压烧结1h,Al-20%UO2弥散芯块的烧结相对密度达94.54%;外径为(53.230±0.006)mm,膨胀率为0.415%;内径为(45.506±0.017)mm,膨胀率为0.278%。芯块不经研磨加工,可直接装管密封制成靶件。

关键词： Al-UO2 弥散芯块无压烧结真空密度相结构

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新型冠状病毒对男性生殖的损伤及机制

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中华男科学杂志 2021年第8期27卷 738-741页

作者：孙邦(综述) 伍学焱聂敏(审校) 中国医学科学院北京协和医院内分泌科/国家卫生健康委员会内分泌重点实验室北京100730

男性生殖系统具有被SARS-CoV-2病毒侵入的结构基础。现有证据表明,SARS-CoV-2会对男性睾丸组织产生实质性损害,引起男性患者睾酮水平下降、黄体生成素上升,精子产生减少、质量降低。睾丸局部炎症、细胞因子风暴和发热,是目前认为可能导... 详细信息

男性生殖系统具有被SARS-CoV-2病毒侵入的结构基础。现有证据表明,SARS-CoV-2会对男性睾丸组织产生实质性损害,引起男性患者睾酮水平下降、黄体生成素上升,精子产生减少、质量降低。睾丸局部炎症、细胞因子风暴和发热,是目前认为可能导致睾丸损伤的潜在机制。新型冠状病毒传播力强,其对男性生殖系统的影响值得关注。

关键词：新型冠状病毒男性生殖系统男性生育能力新型冠状病毒肺炎精子生成生殖激素损伤机制

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