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检索条件"机构=Department of computational Science and Applied Physics"
2313 条 记 录,以下是1-10 订阅
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Phase-field simulations of the effect of temperature and interface for zirconiumδ-hydrides
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Chinese physics B 2024年 第4期33卷 701-710页
作者: 陈子航 盛杰 刘瑜 施小明 黄厚兵 许可 王越超 武帅 孙博 刘海风 宋海峰 School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing 100081China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Department of Physics University of Science and Technology BeijingBeijing 100083China
Hydride precipitation in zirconium cladding materials can damage their integrity and *** temperature and material defects have a significant effect on the dynamic growth of *** this study,we have developed a phasefiel... 详细信息
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Dynamic mode decomposition of nonequilibrium electron-phonon dynamics:accelerating the firstprinciples real-time Boltzmann equation
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npj computational Materials 2024年 第1期10卷 1970-1977页
作者: Ivan Maliyov Jia Yin Jia Yao Chao Yang Marco Bernardi Department of Applied Physics and Materials Science California Institute of TechnologyPasadenaCA 91125USA Applied Mathematics and Computational Research Division Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA Department of Physics California Institute of TechnologyPasadenaCA 91125USA
Nonequilibrium dynamics governed by electron–phonon(e-ph)interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in *** real-time Boltzmann transp... 详细信息
来源: 评论
Spectroscopy and molecule opacity investigation on excited states of SiS
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Chinese physics B 2024年 第5期33卷 381-387页
作者: 李瑞 吕浩男 桑纪群 刘晓华 梁桂颖 吴勇 College of Teacher Education Qiqihar UniversityQiqihar 161006China National Key Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Department of Physics College of ScienceQiqihar UniversityQiqihar 161006China School of Data Science and Artificial Intelligence Jilin Engineering Normal UniversityChangchun 130052China HEDPS Center for Applied Physics and TechnologyPeking UniversityBeijing 100084China
The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many *** to complex interactions among its low-lying electronic states,precise information regarding the molecular s... 详细信息
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Influences of chemical reactions on polysulfide reduction reaction process on promotor surface in Li-S batteries
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Nano Research 2024年 第4期17卷 2712-2718页
作者: Yufeng Luo Zhenhan Fang Zixin Hong Shaorong Duan Haitao Liu Hengcai Wu Qunqing Li Yuegang Zhang Shoushan Fan Wenhui Duan Jiaping Wang Tsinghua-Foxconn Nanotechnology Research Center Tsinghua UniversityBeijing 100084China Department of Physics Tsinghua UniversityBeijing 100084China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Frontier Science Center for Quantum Information Tsinghua UniversityBeijing 100084China
Polar promotors have been proven effective in catalyzing the polysulfide(PS)reduction reaction(PSRR)process in lithium-sulfur(Li-S)***,the promotor surface tends to be poisoned due to the accumulation of insoluble dis... 详细信息
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Vibronic effect study of ^(1)A_(2) state of H_(2)O and D_(2)O
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Chinese physics B 2024年 第5期33卷 395-399页
作者: 张倍源 王礼涵 朱剑辉 徐卫青 马子茹 赵小利 吴勇 朱林繁 Department of Modern Physics University of Science and Technology of ChinaHefei 230026China Center for Transformative Science ShanghaiTech UniversityShanghai 201210China Department of Physics Yantai UniversityYantai 264005China Institute of Applied Physics and Computational Mathematics Beijing 100088China School of Physics and Information Technology Shaanxi Normal UniversityXi'an 710119China HEDPS Center for Applied Physics and TechnologyPeking UniversityBeijing 100084China
The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic *** ... 详细信息
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A review on hybridization of plasmonic and photonic crystal biosensors for effective cancer cell diagnosis
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NANOSCALE ADVANCES 2023年 第23期5卷 6382-6399页
作者: Kumela, Alemayehu Getahun Gemta, Abebe Belay Hordofa, Alemu Kebede Birhanu, Ruth Mekonnen, Habtamu Dagnaw Sherefedin, Umer Weldegiorgis, Kinfe Department of Applied Physics School of Applied Natural Sciences Adama Science and Technology University Adama Ethiopia Email: alemayehu.getahun@astu.edu.et Email: abebebelay96@*** Department of Applied Physics School of Natural and Computational Sciences Bule Hora University Bule Hora Ethiopia
Cancer causes one in six deaths worldwide, and 1.6 million cancer patients face annual out-of-pocket medical expenditures. In response to these, portable, label-free, highly sensitive, specific, and responsive optical... 详细信息
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Machine learning-based prediction of polaron-vacancy patterns on the TiO_(2)(110)surface
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npj computational Materials 2024年 第1期10卷 2328-2336页
作者: Viktor C.Birschitzky Igor Sokolović Michael Prezzi Krisztián Palotás Martin Setvín Ulrike Diebold Michele Reticcioli Cesare Franchini Faculty of Physics and Center for Computational Materials Science University of ViennaViennaAustria Institute of Applied Physics TU WienViennaAustria Institute for Solid State Physics and Optics HUN-REN Wigner Research Center for PhysicsBudapestHungary Department of Surface and Plasma Science Faculty of Mathematics and PhysicsCharles UniversityPragueCzech Republic Dipartimento di Fisica e Astronomia Universitàdi BolognaBolognaItaly
The multifaceted physics of oxides is shaped by their composition and the presence of defects,which are often accompanied by the formation of *** simultaneous presence of polarons and defects,and their complex interac... 详细信息
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Electron capture and excitation in intermediate-energy He^(2+)–H(1s,2s)collisions
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Chinese physics B 2024年 第8期33卷 72-79页
作者: 刘亚东 贾聪聪 马茗萱 高翔 刘玲 吴勇 陈向军 王建国 Department of Modern Physics University of Science and Technology of ChinaHefei 230026China Institute of Applied Physics and Computational Mathematitics Beijing 100088China Institute of Modern Physics Key Laboratory of Nuclear Physics and Ion-Beam Application(MOE)Fudan UniversityShanghai 200433China
The semiclassical non-perturbative atomic orbital close-coupling approach has been employed to study the electron capture and excitation processes in He^(2+)-H(1s)and He^(2+)-H(2s)collision *** order to ensure the acc... 详细信息
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A Compact Eulerian Interface-Capturing Algorithm for Compressible Multimaterial Elastic-Plastic Flows with Mie-Gr uneisen Equation of State
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Advances in applied Mathematics and Mechanics 2023年 第2期15卷 485-521页
作者: Xiang Li Dong-Jun Ma Nan-Sheng Liu Pei Wang Institute of Applied Physics and Computational Mathematics Beijing 100094China Department of Modern Mechanics University of Science and Technology of ChinaHefeiAnhui 230027China Center for Applied Physics and Technology Peking UniversityBeijing 100871China
This paper presents an Eulerian diffuse-interface method using a high-order compact difference scheme for simulating elastic-plastic flows with the Mie–Gruneisen(MG)equation of state(EoS).For simulations of multimate... 详细信息
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Machine learning potential assisted exploration of complex defect potential energy surfaces
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npj computational Materials 2024年 第1期10卷 3017-3023页
作者: Chao Jiang Chris A.Marianetti Marat Khafizov David H.Hurley Computational Mechanics and Materials Department Idaho National LaboratoryIdaho FallsID 83415USA Department of Applied Physics and Applied Mathematics Columbia UniversityNew YorkNY 10027USA Department of Mechanical and Aerospace Engineering The Ohio State UniversityColumbusOH 43210USA Materials Science and Engineering Department Idaho National LaboratoryIdaho FallsID 83415USA
Atomic-scale defects generated in materials under both equilibrium and irradiation conditions can significantly impact their physical and mechanical *** the energetically most favorable ground-state configurations of ... 详细信息
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