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Tao, Xiaoma, Ouyang, Yifang, Liu, Huashan, Zeng, Fanjiang, Feng, Yuanping, Jin, Zhanpeng (2007) Ab initio calculations of mechanical and thermodynamic properties for the B2-based AlRE. Computational Materials Science, 40 (2). 226-233 doi:10.1016/j.commatsci.2006.12.001

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Reference TypeJournal (article/letter/editorial)
TitleAb initio calculations of mechanical and thermodynamic properties for the B2-based AlRE
JournalComputational Materials Science
AuthorsTao, XiaomaAuthor
Ouyang, YifangAuthor
Liu, HuashanAuthor
Zeng, FanjiangAuthor
Feng, YuanpingAuthor
Jin, ZhanpengAuthor
Year2007 (August)Volume40
Issue2
PublisherElsevier BV
DOIdoi:10.1016/j.commatsci.2006.12.001Search in ResearchGate
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Mindat Ref. ID9504740Long-form Identifiermindat:1:5:9504740:9
GUID0
Full ReferenceTao, Xiaoma, Ouyang, Yifang, Liu, Huashan, Zeng, Fanjiang, Feng, Yuanping, Jin, Zhanpeng (2007) Ab initio calculations of mechanical and thermodynamic properties for the B2-based AlRE. Computational Materials Science, 40 (2). 226-233 doi:10.1016/j.commatsci.2006.12.001
Plain TextTao, Xiaoma, Ouyang, Yifang, Liu, Huashan, Zeng, Fanjiang, Feng, Yuanping, Jin, Zhanpeng (2007) Ab initio calculations of mechanical and thermodynamic properties for the B2-based AlRE. Computational Materials Science, 40 (2). 226-233 doi:10.1016/j.commatsci.2006.12.001
In(2007, August) Computational Materials Science Vol. 40 (2) Elsevier BV

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Tao, Xiaoma, Ouyang, Yifang, Liu, Huashan, Zeng, Fanjiang, Feng, Yuanping, Du, Yong, Jin, Zhanpeng (2008) Ab initio calculation of the total energy and elastic properties of Laves phase C15 Al2RE (RE=Sc, Y, La, Ce–Lu). Computational Materials Science, 44 (2). 392-399 doi:10.1016/j.commatsci.2008.03.036
Tao, Xiaoma, Ouyang, Yifang, Liu, Huashan, Zeng, Fanjing, Feng, Yuanping, Jin, Zhanpeng (2007) Calculation of the thermodynamic properties of B2 AlRE (RE=Sc, Y, La, Ce–Lu). Physica B: Condensed Matter, 399 (1). 27-32 doi:10.1016/j.physb.2007.05.037
Ouyang, Yifang, Tao, Xiaoma, Chen, Hongmei, Feng, Yuanping, Du, Yong, Liu, Yong (2009) First-principles calculations of mechanical and thermodynamic properties of the Laves C15-Mg2RE (RE=La, Ce, Pr, Nd, Pm, Sm, Gd). Computational Materials Science, 47 (2). 297-301 doi:10.1016/j.commatsci.2009.08.003
Tao, Xiaoma, Ouyang, Yifang, Liu, Huashan, Feng, Yuanping, Du, Yong, He, Yuehui, Jin, Zhanpeng (2011) Phase stability of magnesium-rare earth binary systems from first-principles calculations. Journal of Alloys and Compounds, 509. 6899-6907 doi:10.1016/j.jallcom.2011.03.177
Ouyang, Yifang, Tao, Xiaoma, Zeng, Fanjiang, Chen, Hongmei, Du, Yong, Feng, Yuanping, He, Yuehui (2009) First-principles calculations of elastic and thermo-physical properties of Al, Mg and rare earth lanthanide elements. Physica B: Condensed Matter, 404 (16). 2299-2304 doi:10.1016/j.physb.2009.04.032
Tao, Xiaoma, Chen, Chen, Li, Shenling, Ouyang, Yifang, Du, Yong (2012) The electronic, mechanical and lattice dynamic properties of TiSiY from first-principles calculations. Computational Materials Science, 65. 485-489 doi:10.1016/j.commatsci.2012.08.017
Li, Juan, Tao, Xiaoma, Dong, Sisi, Yang, Feng, Liu, Huashan, Jin, Zhanpeng, Zheng, Feng (2013) Thermodynamic assessment of Sn–Cu–Ce system. Calphad, 43. 124-132 doi:10.1016/j.calphad.2013.04.003
Tao, Xiaoma, Chen, Hongmei, Tong, Xiaofeng, Ouyang, Yifang, Jund, Philippe, Tedenac, Jean-Claude (2012) Structural, electronic and elastic properties of V5Si3 phases from first-principles calculations. Computational Materials Science, 53 (1). 169-174 doi:10.1016/j.commatsci.2011.09.030
Ouyang, Yifang, Liu, Fenglian, Lu, Tong, Tao, Xiaoma, Du, Yong, He, Yuehui (2013) First-principles investigation of the mechanical, electronic and thermophysical properties of Q-phase in Al–Mg–Si–Cu alloys. Computational Materials Science, 67. 334-340 doi:10.1016/j.commatsci.2012.09.030
Tao, Xiaoma, Chen, Hongmei, Li, Xingxiu, Ouyang, Yifang, Liao, Shuzhi (2011) The mechanical, electronic structure and thermodynamic properties of B2-based AgRE studied from first-principles. Physica Scripta, 83 (4). 45301pp. doi:10.1088/0031-8949/83/04/045301
Tao, Xiaoma, Guo, Zifeng, Xu, Guanglong, Wang, Rongcheng, Chen, Hongmei, Ouyang, Yifang (2015) Investigation of thermophysical, electronic and lattice dynamic properties for CaX2Si2 (X=Ni,Zn,Cu,Ag,Au) via first-principles calculations. Computational Materials Science, 102. 167-173 doi:10.1016/j.commatsci.2015.02.015
 
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