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	Effect of alloying elements on the interface of fcc-Fe/Ni3Al by first principle calculations 期刊论文 Computational Materials Science, 2022, 卷号: 214 作者: Guo, Xin; Zhou, Jitian; Zhang, Xingxing; Yang, Ping; Ren, Junqiang 收藏 \| 浏览/下载：29/0 \| 提交时间：2022/09/22 Alloying Atoms Austenite Calculations Chemical bonds Density functional theory Electrons Density diagram Differential charge First principle calculations First principles Heat-resistant steel Interface energy Interface property Orbital electrons Orbitals Segregation
	The controllable electronic characteristics and Schottky barrier of graphene/GaP heterostructure via interlayer coupling and in-plane strain 期刊论文 Materials Science and Engineering B: Solid-State Materials for Advanced Technology, 2022, 卷号: 284 作者: Lu, Xuefeng; Li, Lingxia; Guo, Xin; Ren, Junqiang; Xue, Hongtao 收藏 \| 浏览/下载：18/0 \| 提交时间：2022/08/09 Binding energy Calculations Gallium compounds Graphene Ground state Heterojunctions III-V semiconductors Ohmic contacts Schottky barrier diodes Strain Thermoelectric equipment Van der Waals forces Electronic characteristics Graphene/GaP In-plane strains Interlayer coupling Layer-spacing Micro/nano Nanoelectronic devices P-type Schottky barriers Schottky contacts
	Insight into electronic structure and photocatalytic character of GaSe/MoS2 heterostructure by first-principles investigation 期刊论文 Solid State Communications, 2022, 卷号: 353 作者: Lu, Xuefeng; Cui, Tingshu; Ren, Junqiang; Guo, Xin; Xue, Hongtao 收藏 \| 浏览/下载：34/0 \| 提交时间：2022/08/09 Binding energy Calculations Energy gap Gallium compounds Hydrogen production Lattice mismatch Layered semiconductors Light Light absorption Molybdenum compounds Photocatalytic activity Redox reactions Selenium compounds Semiconductor quantum wells Electronic.structure First principle calculations First principles First-principles investigations Gase/MoS2 Photo-catalytic Photocatalytic character Photocatalytic property Structure property Two-dimensional
	不同窖龄及位置浓香型白酒窖泥中细菌群落结构的差异性分析期刊论文食品与发酵工业, 2022, 页码: 1-12 作者: 任海伟; 孙一帆; 王希; 李彦涛; 郭晓鹏收藏 \| 浏览/下载：10/0 \| 提交时间：2022/09/22 金徽酒窖泥细菌群落高通量测序浓香型白酒
	工艺参数对Ni60-Cu/BaF2·CaF2定向结构涂层组织和性能的影响期刊论文兰州理工大学学报, 2022, 卷号: 48, 期号: 04, 页码: 11-18 作者: 王毅; 殷翔; 周凯; 王新民; 王新华收藏 \| 浏览/下载：11/0 \| 提交时间：2022/09/22 Ni基合金 BaF_2·CaF_2 定向结构微观组织
	Adsorption behavior of Na atom on T-carbon (111) surface by first principles calculations 期刊论文 INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2022 作者: Guo, Xin; Zhou, Jitian; Zhang, Yongxiang; Zhang, Xingxing; Ren, Junqiang 收藏 \| 浏览/下载：40/0 \| 提交时间：2022/09/22 T-carbon Na adsorption electronic properties optical properties first principles
	晶粒尺寸和孪晶界间距对纳米多晶铝合金塑性变形影响的分子动力学模拟研究（英文）期刊论文稀有金属材料与工程, 2022, 卷号: 51, 期号: 07, 页码: 2436-2445 作者: 任军强; 杨丹; 王启; 卢学峰; 张旭东收藏 \| 浏览/下载：10/0 \| 提交时间：2022/08/09 纳米多晶铝晶粒尺寸位错孪晶分子动力学
	Deformation mechanisms in a β-quenched Ti-5321 alloy: In-situ investigation related to slip activity, orientation evolution and stress induced martensite 期刊论文 Journal of Materials Science and Technology, 2022, 卷号: 112, 页码: 36-48 作者: Wu, Cong; Zhao, Qinyang; Huang, Shixing; Zhao, Yongqing; Lei, Lei 收藏 \| 浏览/下载：15/0 \| 提交时间：2022/04/21 Aluminum alloys Chromium alloys Crystal orientation Deformation Iron alloys Martensite Materials testing apparatus Metal testing Niobium alloys Scanning electron microscopy Tensile testing Zircaloy Deformation behavior Deformation mechanism Electron back scatter diffraction Electron backscatter diffraction In-situ investigations In-situ tensile test Slip activity Slip system Stress-induced martensite Titanium (alloys)
	Zirconium-enhanced segregation tendency of solutes X and Zr-X co-segregation induced synergistic/antagonistic effects on Ni S5 [001] (210) grain boundary 期刊论文 MATERIALS TODAY COMMUNICATIONS, 2022, 卷号: 31, 页码: 9 作者: Xue, Hongtao; Wu, Yaqiao; Tang, Fuling; Li, Xiuyan; Lu, Xuefeng 收藏 \| 浏览/下载：22/0 \| 提交时间：2022/07/01 Co-segregation First-principles calculations Grain boundary fracture strength Grain boundary thermodynamic stability Ni sigma 5 [001](210) symmetrical tilt grain boundary
	Zirconium-enhanced segregation tendency of solutes X and Zr-X co-segregation induced synergistic/antagonistic effects on Ni Σ5 [001](210) grain boundary 期刊论文 Materials Today Communications, 2022, 卷号: 31 作者: Xue, Hongtao; Wu, Yaqiao; Tang, Fuling; Li, Xiuyan; Lu, Xuefeng 收藏 \| 浏览/下载：30/0 \| 提交时间：2022/04/21 Alloying elements Binary alloys Calculations Cobalt alloys Copper alloys Fracture Fracture toughness Nickel Nickel alloys Segregation (metallography) Superalloys Tantalum Tantalum alloys Thermodynamic stability Zirconium Co-segregation First principle calculations Grain boundary fracture Grain boundary fracture strength Grain boundary segregation Grain boundary thermodynamic stability Grain-boundaries Ni σ5 [001](210) symmetrical tilt grain boundary Solute interaction Tilt grain boundary

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