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Halogenation of graphene triggered by heteroatom doping 期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 64, 页码: 37507-37511
Authors:  Olanrele, Samson O.;  Lian, Zan;  Si, Chaowei;  Li, Bo
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Strong metal-metal interaction and bonding nature in metal/oxide interfaces with large mismatches 期刊论文
ACTA MATERIALIA, 2019, 卷号: 179, 页码: 237-246
Authors:  Li, Hongping;  Saito, Mitsuhiro;  Chen, Chunlin;  Inoue, Kazutoshi;  Akagi, Kazuto;  Ikuhara, Yuichi
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Metal/oxide incoherent interface  Scanning transmission electron microscopy  First-principles calculations  Atomic-scale structure  Bonding nature  
First-principles study of dopant stability and related optical properties in CdSiP2 crystal 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 802, 页码: 310-317
Authors:  Wang, Ci;  Zhang, Jian;  Hu, Qingmiao;  Tao, Xutang
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First-principles calculations  CdSiP2  Doping defects  Formation energy  Optical property  
Hot Deformation Behavior of a New Nuclear Use Reduced Activation Ferritic/Martensitic Steel 期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2019, 卷号: 32, 期号: 7, 页码: 825-834
Authors:  Liu, Chao;  Zhao, Ming-Chun;  Unenbayar, Tuguldur;  Zhao, Ying-Chao;  Xie, Bin;  Tian, Yan;  Shan, Yi-Yin;  Yang, Ke
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Reduced activation ferritic  martensitic steel  Hot deformation  Flow curve  Constitutive equation  Processing map  
Integrated modeling of molar volume of the sigma phase aided by first-principles calculations 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 791, 页码: 994-1004
Authors:  Liu, Wei;  Lu, Xiao-Gang;  Wang, Hao;  Liu, Yi;  Hu, Qing-Miao
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sigma phase  molar volume  compound energy formalism (CEF)  first-principles calculations  integrated thermodynamic and molar volume model  
Hydrogen storage properties of Li-decorated B2S monolayers: A DFT study 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 31, 页码: 16803-16810
Authors:  Liu, Zhiyang;  Liu, Shi;  Er, Suleyman
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DFT  2D materials  B2S  Li  Molecular hydrogen storage  
Effect of aging treatment on the microstructures and mechanical properties evolution of 25Cr-20Ni austenitic stainless steel weldments with different Nb contents 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2019, 卷号: 35, 期号: 4, 页码: 520-529
Authors:  Zhang, Xu;  Li, Dianzhong;  Li, Yiyi;  Lu, Shanping
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25Cr-20Ni steel  Weld metal  Nb  Aging treatment  alpha-Cr phase  Mechanical property  
Effect of Cr Doping on the Surface Characteristics of Ni Metal Studied with First-Principles Calculation 期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2019, 卷号: 32, 期号: 4, 页码: 461-470
Authors:  Sun, Xian-Feng;  Wang, Hai-Tao;  Han, En-Hou
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Density functional theory  Surface characteristics  Nickel  Cr addition  Atomistic simulation  
Properties of beta/omega phase interfaces in Ti and their implications on mechanical properties and omega morphology 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 158, 页码: 49-57
Authors:  Cao, Shuo;  Jiang, Yong;  Yang, Rui;  Hu, Qing-Miao
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Titanium alloys  Generalized stacking fault energy  Interface energy  First-principles calculations  
Formation Process of an LDHs Coating on Magnesium Alloy by a CO2 Pressurization Method 期刊论文
COATINGS, 2019, 卷号: 9, 期号: 1
Authors:  Zhang, Xiaochen;  Wang, Jiaoxiang;  Zhang, Chunyan;  Liu, Bin;  Jiang, Peng;  Zhao, Yang;  Buhe, Bateer;  Zhang, Tao;  Meng, Guozhe;  Wang, Fuhui
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magnesium alloy  CO2 pressurization method  LDHs coating  formation process  alpha-Mg phase  beta-Mg(17)A(1)(2) phase  micro-structure  anti-corrosion property