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限定条件	学科主题：Materials Science, Multidisciplinary

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	Rhombohedral-Orthorhombic Ferroelectric Morphotropic Phase Boundary Associated with a Polar Vortex in BiFeO3 Films 期刊论文 ACS NANO, 2018, 卷号: 12, 期号: 11, 页码: 11098-11105 作者: Geng, WR; Guo, XW; Zhu, YL; Tang, YL; Feng, YP 收藏 \| 浏览/下载：39/0 \| 提交时间：2018/12/25 BiFeO3 ferroelectric films vortices morphotropic phase boundary aberration-corrected scanning transmission electron microscopy first-principles calculations
	Atomic-scale observation and analysis of chemical ordering in M3B2 and M5B3 borides 期刊论文 ACTA MATERIALIA, 2018, 卷号: 149, 页码: 274-284 作者: Hu, XB; Niu, HY; Ma, XL; Oganov, AR; Fisher, CAJ 收藏 \| 浏览/下载：35/0 \| 提交时间：2018/06/05 Crystal-structure Prediction Total-energy Calculations Nickel-base Superalloys Ni-based Superalloy X-ray Spectroscopy Wave Basis-set Probe Tomography Polycrystalline Superalloy Grain-boundary Resolution
	Insight into solid-solution strengthened bulk and stacking faults properties in Ti alloys: a comprehensive first-principles study 期刊论文 JOURNAL OF MATERIALS SCIENCE, 2018, 卷号: 53, 期号: 10, 页码: 7493-7505 作者: Wang, WY; Zhang, Y; Li, JS; Zou, CX; Tang, B 收藏 \| 浏览/下载：28/0 \| 提交时间：2018/06/05 Beta-titanium Alloy Total-energy Calculations Close-packed Metals Wave Basis-set Deformation Mechanism Electronic-structures Phase-stability Lattice Misfit Alpha Mg
	On the abnormal fast diffusion of solute atoms in alpha-Ti: A first-principles investigation 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 740, 页码: 156-166 作者: Zhang, LJ; Chen, ZY; Hu, QM; Yang, R; Hu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China. 收藏 \| 浏览/下载：44/0 \| 提交时间：2018/06/05 Grain-boundary Segregation Austenitic Stainless-steel Total-energy Calculations Augmented-wave Method Elastic Band Method Alloying Elements Self-diffusion Impurity Diffusion 1st Principles Saddle-points
	Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys 期刊论文 JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 501, 页码: 94-103 作者: Wang, XX; Niu, LL; Wang, SQ; Wang, XX (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China. 收藏 \| 浏览/下载：24/0 \| 提交时间：2018/06/05 Stacking-fault Energy Radiation-induced Segregation High-entropy Alloys Ab-initio Calculations Ni-based Alloys Molecular-dynamics Defect Evolution Fcc Metals Gamma-fe Irradiation
	Direct Determination of Atomic Structure and Magnetic Coupling of Magnetite Twin Boundaries 期刊论文 ACS NANO, 2018, 卷号: 12, 期号: 3, 页码: 2662-2668 作者: Chen, CL; Li, HP; Seki, T; Yin, DL; Sanchez-Santolino, G 收藏 \| 浏览/下载：20/0 \| 提交时间：2018/06/05 Transmission Electron-microscopy Differential Phase-contrast Perovskite Manganite Films Total-energy Calculations Wave Basis-set Resolution Field Anisotropy Defects
	Mapping deformation mechanisms in lamellar titanium aluminide 期刊论文 ACTA MATERIALIA, 2018, 卷号: 144, 页码: 835-843 作者: Ji, ZW; Lu, S; Hu, QM; Kim, D; Yang, R 收藏 \| 浏览/下载：163/0 \| 提交时间：2018/06/05 Polysynthetically Twinned Crystals Ordered Intermetallic Alloys Total-energy Calculations Stacking-fault Energies Augmented-wave Method Single-crystals Temperature-dependence Plastic-deformation Yield-stress Tial Alloys
	Vacancy formation enthalpies of high-entropy FeCoCrNi alloy via first-principles calculations and possible implications to its superior radiation tolerance 期刊论文 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 2, 页码: 355-364 作者: Chen, WL; Ding, XY; Feng, YC; Liu, XJ; Liu, K 收藏 \| 浏览/下载：33/0 \| 提交时间：2018/06/05 Total-energy Calculations Solid-solution Alloys Augmented-wave Method Mechanical-properties Single-phase Multiprincipal Elements Compressive Properties Multicomponent Alloys Wear-resistance Basis-set
	Tunable Catalytic Performance of Single Pt Atom on Doped Graphene in Direct Dehydrogenation of Propane by Rational Doping: A Density Functional Theory Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 3, 页码: 1570-1576 作者: Sun, XY; Han, P; Li, B; Zhao, Z; Zhao, Z (reprint author), Shenyang Normal Univ, Inst Catalysis Energy & Environm, Coll Chem & Chem Engn, Shenyang 110034, Liaoning, Peoples R China. 收藏 \| 浏览/下载：29/0 \| 提交时间：2018/06/05 h Bond Activation Nanostructured Carbon Catalysts Total-energy Calculations Augmented-wave Method Heterogeneous Catalysis 1st Principles Basis-set Platinum Reactivity Surfaces
	Strain rate-induced plasticity in bcc beta-Ti alloy single crystal micropillars containing brittle omega-precipitates 期刊论文 MATERIALS & DESIGN, 2018, 卷号: 137, 页码: 404-413 作者: Chen, W; Huang, ZW; Cao, S; Pan, Y; Huang, MD 收藏 \| 浏览/下载：25/0 \| 提交时间：2018/06/05 Total-energy Calculations Wave Basis-set Rate Sensitivity Titanium-alloy Biomedical Applications Phase-transformations Mechanical-properties Tensile Deformation Grain-size Strength

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