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兰州理工大学 [12]

北京航空航天大学 [6]

西安交通大学 [5]

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	Formation of TiAlSi intermetallics during heating Ti-A356 Al mixed powder compact at semisolid temperature 期刊论文 Journal of Materials Science and Technology, 2021, 卷号: 94, 页码: 247-263 作者: Gao, M.; Chen, T.J.; Zhang, Z.X. 收藏 \| 浏览/下载：22/0 \| 提交时间：2022/02/17 Aluminum Crystal structure Morphology Oxide films Plates (structural components) Powder metals Silicon Titanium alloys Titanium oxides Anisotropic growth Combined effect Formation process In compositions Internal energies Metal materials Ternary intermetallics Tialsi intermetallics
	Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of γ-Ni/γ'-Ni3Al interface 期刊论文 Physics Letters, Section A: General, Atomic and Solid State Physics, 2021, 卷号: 408 作者: Ahmed, Fawaz Alnoman Mohammed; Xue, Hong-Tao; Tang, Fu-Ling; Ren, Jun-Qiang; Lu, Xue-Feng 收藏 \| 浏览/下载：19/0 \| 提交时间：2022/02/17 Binding energy Calculations Density functional theory Fracture Fracture toughness Nickel Nickel alloys Segregation (metallography) Single crystals Binding strength Co-segregation Density-functional-theory First principle calculations Formation energies Interfacial fracture Ni$-3$/Al Nickel-based single-crystal superalloy Pseudogaps Γ-ni/γ'-ni3al phase interface
	Investigation of native defects and impurities in X-N (X = Al, Ga, In) 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 188, 页码: 9 作者: Chen, Yingjie; Wu, Liyuan; Liang, Dan; Lu, Pengfei; Wang, Jianjun 收藏 \| 浏览/下载：42/0 \| 提交时间：2021/12/01 Group III nitrides First-principles Bulk modulus Defect levels Formation energies
	Cluster expansion Monte Carlo study of indium-aluminum segregation and homogenization in CuInSe2-CuAlSe2pseudobinary alloys 期刊论文 Physical Chemistry Chemical Physics, 2020, 卷号: 22, 期号: 26, 页码: 14694-14703 作者: Xue, Hong-Tao; Yu, Xu-Dong; Aarons, Jolyon; Tang, Fu-Ling; Lu, Xue-Feng 收藏 \| 浏览/下载：3/0 \| 提交时间：2020/11/14 Atoms Binary alloys Calculations Copper alloys Indium Indium alloys Monte Carlo methods Solar energy Boltzmann function Cluster morphology First-principles calculation Formation energies Homogeneous phase Phase segregations Temperature increase Temperature range
	Cluster expansion Monte Carlo study of indium-aluminum segregation and homogenization in CuInSe2-CuAlSe2pseudobinary alloys 期刊论文 Physical Chemistry Chemical Physics, 2020, 卷号: 22, 期号: 26, 页码: 14694-14703 作者: Xue, Hong-Tao; Yu, Xu-Dong; Aarons, Jolyon; Tang, Fu-Ling; Lu, Xue-Feng 收藏 \| 浏览/下载：22/0 \| 提交时间：2022/02/17 Atoms Binary alloys Calculations Copper alloys Indium Indium alloys Monte Carlo methods Solar energy Boltzmann function Cluster morphology First-principles calculation Formation energies Homogeneous phase Phase segregations Temperature increase Temperature range
	Viscosity of oxygenated fuel: A model based on Eyring's absolute rate theory 期刊论文 Fuel, 2019, 卷号: 241, 页码: 218-226 作者: Zhu, Chenyang; Yang, Feng; Liu, Xiangyang; Afzal, Waheed; He, Maogang 收藏 \| 浏览/下载：26/0 \| 提交时间：2019/11/19 Average absolute relative deviations Calculation process Cubic equation of state Eyring's absolute rate theory Flow energy Free volume models Oxygenated fuel Vacancy formation energies
	Injection of oxygen vacancies in the bulk lattice of layered cathodes 期刊论文 NATURE NANOTECHNOLOGY, 2019, 卷号: 14, 页码: 602-+ 作者: Yan, Pengfei; Zheng, Jianming; Tang, Zhen-Kun; Devaraj, Arun; Chen, Guoying 收藏 \| 浏览/下载：1/0 \| 提交时间：2019/12/30 Cathodes Grain boundaries Lithium-ion batteries Cut-off voltages First principle calculations Formation energies High capacity Layered cathode Layered cathode materials Migration barriers Particle surface Oxygen vacancies
	Real-Time Simulation of Nonequilibrium Nanocrystal Transformations 期刊论文 ADVANCED THEORY AND SIMULATIONS, 2019, 卷号: 2, 期号: 1, 页码: — 作者: Li, XY; Zhu, BE; Qi, R; Gao, Y 收藏 \| 浏览/下载：22/0 \| 提交时间：2019/12/30 ENHANCED ELECTROCATALYTIC ACTIVITY IN-SITU HOLLOW NANOSTRUCTURES METAL NANOPARTICLES GLOBAL OPTIMIZATION GENERAL FORMATION SURFACE ENERGIES NANOCAGES GROWTH STABILITY
	Electronic structures and optical properties of Ni-doped 4H-SiC: Dispersion-corrected density functional theory investigations 期刊论文 Materials Research Express, 2019, 卷号: 6, 期号: 9 作者: Lu, Xuefeng; Zhao, Tingting; Guo, Xin; Chen, Meng; Ren, Junqiang 收藏 \| 浏览/下载：0/0 \| 提交时间：2020/11/14 Chemical bonds Dielectric losses Dielectric materials Electronic structure Nickel compounds Optical properties Pollution Silicon Silicon carbide Silicon compounds Absorbing materials Bonding energies Charge density difference Dispersion-corrected density functional Electro magnetic pollution Formation energies Ni-doped Static dielectric constants
	Electronic and optical properties of CH3NH3Pb1-xAgxI3 from the first-principles calculations 期刊论文 Journal of Renewable and Sustainable Energy, 2018, 卷号: 10, 期号: 3 作者: Si, Fengjuan; Tang, Fuling; Xue, Hongtao; Luise Liu, Jingbo 收藏 \| 浏览/下载：19/0 \| 提交时间：2022/02/17 Calculations Electronic properties Energy gap Optical band gaps Valence bands Doping concentration Electronic and optical properties First-principles calculation Formation energies High-frequency dielectrics Optical and electronic properties P-type conductive Sustainable energy

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