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Computational design of flexible electrides with nontrivial band topology 期刊论文
Authors:  Zhu, Sheng-Cai;  Wang, Lei;  Qu, Jing-Yu;  Wang, Jun-Jie;  Frolov, Timofey;  Chen, Xing-Qiu;  Zhu, Qiang
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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
Authors:  Hu, XB;  Niu, HY;  Ma, XL;  Oganov, AR;  Fisher, CAJ;  Sheng, NC;  Liu, JD;  Jin, T;  Sun, XF;  Liu, JF;  Ikuhara, Y;  Ma, XL (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China.;  Ikuhara, Y (reprint author), Japan Fine Ceram Ctr, Nanostruct Res Lab, Nagoya, Aichi 4568587, Japan.;  Oganov, AR (reprint author), SUNY Stony Brook, Inst Adv Computat Sci, Ctr Mat By Design, Dept Geosci, Stony Brook, NY 11794 USA.
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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  
History-independent cyclic response of nanotwinned metals 期刊论文
NATURE PUBLISHING GROUP, 2017, 卷号: 551, 期号: 7679, 页码: 214-+
Authors:  Pan, Qingsong;  Zhou, Haofei;  Lu, Qiuhong;  Gao, Huajian;  Lu, Lei;  Lu, L (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China.;  Gao, HJ (reprint author), Brown Univ, Sch Engn, Providence, RI 02912 USA.
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Stable compositions and structures in the Na-Bi system 期刊论文
Physical Chemistry Chemical Physics, 2015, 卷号: 17, 期号: 10, 页码: 6933-6947
Authors:  X. Y.;  Li Cheng, R. H.;  Li, D. Z.;  Li, Y. Y.;  Chen, X. Q.
Favorite  |  View/Download:115/0  |  Submit date:2015/05/08
Crystal-structure Prediction  High-pressure  1st Principles  Energy  Landscape  Electron Localization  Phase-transition  Single-crystal  Dense Sodium  100 Gpa  Lithium  
Theoretical prediction and experimental determination of the low lattice thermal conductivity of Lu2SiO5 期刊论文
Journal of the European Ceramic Society, 2015, 卷号: 35, 期号: 6, 页码: 1923-1932
Authors:  Z. L.;  Sun Tian, L. C.;  Wang, J. M.;  Wang, J. Y.
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Rare-earth Silicates  Low Thermal Conductivity  Simulation  Experimental  Single-crystal  Elastic Stiffness  High Temperatures  Barrier Coatings  Resistance  Ceramics  
Theoretical study on crystal structures, elastic stiffness, and intrinsic thermal conductivities of beta-, gamma-, and delta-Y2Si2O7 期刊论文
Journal of Materials Research, 2015, 卷号: 30, 期号: 4, 页码: 493-502
Authors:  Y. X.;  Wang Luo, J. M.;  Li, J. N.;  Hu, Z. J.;  Wang, J. Y.
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X-ray-diffraction  Mechanical-properties  Yttrium Silicates  Barrier  Coatings  Gamma-y2si2o7  Disilicate  Powder  Composites  Stability  Behavior  
Computational materials discovery: the case of the W-B system 期刊论文
Acta Crystallographica Section C-Crystal Structure Communications, 2014, 卷号: 70, 页码: 85-U50
Authors:  X. Y. Cheng;  X. Q. Chen;  D. Z. Li;  Y. Y. Li
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Computational Materials Discovery  Crystal Structure  Tungsten Borides  Phase Stabilities  Mechanical Properties  Density Functional Theory  Variable-compositional Evolutionary Search  Crystal-structure Prediction  Initio Molecular-dynamics  Total-energy  Calculations  Transition-metal Borides  Augmented-wave Method  Tungsten  Tetraboride  Mechanical-properties  Superhard Materials  Solid-solutions  Single-crystal  
Method of Stray Grain Inhibition in the Platforms with Different Dimensions During Directional Solidification of a Ni-Base Superalloy 期刊论文
Metallurgical and Materials Transactions a-Physical Metallurgy and Materials Science, 2014, 卷号: 45A, 期号: 3, 页码: 1230-1237
Authors:  X. B. Meng;  J. G. Li;  S. Z. Zhu;  H. Q. Du;  Z. H. Yuan;  J. W. Wang;  T. Jin;  X. F. Sun;  Z. Q. Hu
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Single-crystal Superalloy  Low-angle Boundaries  Freckle Formation  Spiral Selector  Turbine-blades  Growth  Simulation  Castings  Prediction  Mechanism  
Theoretical Predictions on Elastic Stiffness and Intrinsic Thermal Conductivities of Yttrium Silicates 期刊论文
Journal of the American Ceramic Society, 2014, 卷号: 97, 期号: 3, 页码: 945-951
Authors:  Y. X. Luo;  J. M. Wang;  J. Y. Wang;  J. N. Li;  Z. J. Hu
Favorite  |  View/Download:161/0  |  Submit date:2014/04/18
Mechanical-properties  Barrier Coatings  Gamma-y2si2o7  Y2sio5  Pyrochlore  Stability  
Variable-composition structural optimization and experimental verification of MnB3 and MnB4 期刊论文
Physical Chemistry Chemical Physics, 2014, 卷号: 16, 期号: 30, 页码: 15866-15873
Authors:  H. Y. Niu;  X. Q. Chen;  W. J. Ren;  Q. Zhu;  A. R. Oganov;  D. Z. Li;  Y. Y. Li
Favorite  |  View/Download:139/0  |  Submit date:2015/01/14
Crystal-structure Prediction  Superhard Rhenium Diboride  Total-energy  Calculations  Wave Basis-set  Tungsten Tetraboride  Metal Borides  1st-principles  Search  Boron  Principles