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51

Influence of antiphase boundary period parameter M′ on elastic and electronic properties of one dimensional long period structures of Al3Ti

Ping-Ying Tang, Bi-Yu Tang

Journal:

Solid State Communications

Year:

2012

Language:

english

File:

PDF, 1.16 MB

english, 2012

52

ROTATIONAL ALIGNMENT OF PRODUCT MOLECULES FROM THE REACTION Ca + HCl→CaCl + H

TANG, PING-YING, LI, DONG-LIN, WU, MENG-MENG, TANG, BI-YU

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 280 KB

english, 2011

53

Role of electronic correlation in high-low temperature phase transition of hexagonal nickel sulfide: A comparative density functional theory study with and without correction for on-site Coulomb interaction

Zhang, Wei-Bing, Li, Jie, Tang, Bi-Yu

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1021 KB

english, 2013

54

First-principles study of L12–Al3(Sc1−xTMx) alloys using special quasirandom structures

Wang, Ren-Nian, Ma, Li, Pan, Rong-Kai, Luo, Tao-Peng, Zhou, Si-Chen, Tang, Bi-Yu

Journal:

Computational Materials Science

Year:

2013

Language:

english

File:

PDF, 1.75 MB

english, 2013

55

Structural and elastic properties of La2Mg17 from first-principles calculations

Luo, Tao-Peng, Ma, Li, Pan, Rong-Kai, Zhou, Si-Chen, Wang, Hai-Chen, Tang, Bi-Yu

Journal:

Journal of Solid State Chemistry

Year:

2013

Language:

english

File:

PDF, 1.74 MB

english, 2013

56

Elastic and electronic properties of tI26-type Mg 12 RE (RE = Ce, Pr and Nd) phases

Zeng, Meng-Xue, Wang, Ren-Nian, Tang, Bi-Yu, Peng, Li-Ming, Ding, Wen-Jiang

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2012

Language:

english

File:

PDF, 1.38 MB

english, 2012

57

Electronic structure and thermodynamic properties of millerite NiS from first principles: Complex fermi surface and large thermal expansion coefficient

Zhang, Wei-Bing, Li, Jie, Liu, Xin-Hai, Tang, Bi-Yu

Journal:

Computational Materials Science

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

58

First-principles study of structural, electronic and thermodynamic properties of EuMg2 and EuMg2H6

Bian, Nan, Mo, Zhou-Sheng, Pan, Rong-Kai, Wang, Ming-Hui, Li, Peng-Bo, Tang, Bi-Yu

Journal:

Journal of Solid State Chemistry

Year:

2013

Language:

english

File:

PDF, 1.98 MB

english, 2013

59

Ab initio study of the effect of solute atoms Zn and Y on stacking faults in Mg solid solution

Zhang, Quan, Fu, Lin, Fan, Tou-Wen, Tang, Bi-Yu, Peng, Li-Ming, Ding, Wen-Jiang

Journal:

Physica B: Condensed Matter

Year:

2013

Language:

english

File:

PDF, 940 KB

english, 2013

60

Ab initio study of effects of Al and Y co-doping on destabilizing of MgH2

Zhou, Si-Chen, Pan, Rong-Kai, Luo, Tao-Peng, Wu, Dong-Hai, Wei, Liu-Ting, Tang, Bi-Yu

Journal:

International Journal of Hydrogen Energy

Year:

2014

Language:

english

File:

PDF, 1.74 MB

english, 2014

61

First-principles study of the dislocation core structures on basal plane in magnesium

Fan, Tou-Wen, Zhang, Quan, Ma, Li, Tang, Ping-Ying, Tang, Bi-Yu, Peng, Li-Ming, Ding, Wen-Jiang

Journal:

European Journal of Mechanics - A/Solids

Year:

2014

Language:

english

File:

PDF, 1.94 MB

english, 2014

62

Ideal strength of Mg2X (X = Si, Ge, Sn and Pb) from first-principles

Fan, Tou-Wen, Ke, Jiang-Ling, Fu, Ling, Tang, Bi-Yu, Peng, Li-Ming, Ding, Wen-Jiang

Journal:

Journal of Magnesium and Alloys

Year:

2013

Language:

english

File:

PDF, 2.01 MB

english, 2013

63

Effects of Zn atoms on the basal dislocation in magnesium solution from Peierls–Nabarro model

Fan, Tou-Wen, Luo, Li-Guo, Ma, Li, Tang, Bi-Yu, Peng, Li-Ming, Ding, Wen-Jiang

Journal:

Materials Science and Engineering: A

Year:

2013

Language:

english

File:

PDF, 1.97 MB

english, 2013

64

Ab initio study of stacking faults and deformation mechanism in C15 Laves phases Cr2X (X = Nb, Zr, Hf)

Ma, Li, Pan, Rong-Kai, Zhou, Si-Chen, Luo, Tao-Peng, Wu, Dong-Hai, Fan, Tou-Wen, Tang, Bi-Yu

Journal:

Materials Chemistry and Physics

Year:

2014

Language:

english

File:

PDF, 1.68 MB

english, 2014

65

Ab initio study of 〈111〉 {110} superdislocation properties in B2-MgRE (RE=La–Er) intermetallics

Ma, Li, Pan, Rong-Kai, Fan, Tou-Wen, Tang, Bi-Yu, Peng, Li-Ming, Ding, Wen-Jiang

Journal:

Computational Materials Science

Year:

2013

Language:

english

File:

PDF, 580 KB

english, 2013

66

First-principles study on mechanical properties of LaMg3and LaCuMg2

Wang, Ming-hui, Pan, Rong-kai, Li, Peng-bo, Bian, Nan, Tang, Bi-yu, Peng, Li-ming, Ding, Wen-jiang

Journal:

Journal of Central South University

Year:

2014

Language:

english

File:

PDF, 2.48 MB

english, 2014

67

First-principles study of structural stability and elastic properties of MgPd3 and its hydride

Wu, Dong-Hai, Wang, Hai-Chen, Wei, Liu-Ting, Pan, Rong-Kai, Tang, Bi-Yu

Journal:

Journal of Magnesium and Alloys

Year:

2014

Language:

english

File:

PDF, 2.41 MB

english, 2014

68

Structure and bonding features of Ae6Mg7H26 (Ae=Sr, Ba) with complex polyhedrons: First-principles calculations

Zhou, Si-Chen, Pan, Rong-Kai, Luo, Tao-Peng, Tang, Bi-Yu

Journal:

Computational Materials Science

Year:

2014

Language:

english

File:

PDF, 2.27 MB

english, 2014

69

Ab initio study of I2and T2stacking faults in C14 Laves phase MgZn2

Li Ma,Tou-Wen Fan,Bi-Yu Tang,Li-Ming Peng…

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2013

Language:

english

File:

PDF, 563 KB

english, 2013

70

Time-Dependent Quantum Dynamics Study of the C + CH Reaction on the 2A‘ Surface

Tang, Bi-Yu, Chen, Mao-Du, Han, Ke-Li, Zhang, John Z. H.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 79 KB

english, 2001

71

[IEEE 2009 International Symposium on Computer Network and Multimedia Technology (CNMT 2009) - Wuhan, China (2009.01.18-2009.01.20)] 2009 International Symposium on Computer Network and Multimedia Technology - Address Assignment and Routing Protocol for Large-Scale Uneven Wireless Sensor Networks

Li, Yan-rui, Shi, Hai-bin, Tang, Bi-yu

Year:

2009

Language:

english

File:

PDF, 197 KB

english, 2009

72

Quantum scattering calculation of the O([sup 1]D)+HBr reaction

Tang, Bi-Yu, Tang, Qian-Kun, Chen, Mao-Du, Han, Ke-Li, Zhang, John Z. H.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 547 KB

english, 2004

73

Constituents from the edible Chinese black ants (Polyrhachis dives) showing protective effect on rat mesangial cells and anti-inflammatory activity

Tang, Jian-Jun, Fang, Ping, Xia, Hou-Lin, Tu, Zheng-Chao, Hou, Bi-Yu, Yan, Yong-Ming, Di, Lei, Zhang, Li, Cheng, Yong-Xian

Journal:

Food Research International

Year:

2015

Language:

english

File:

PDF, 660 KB

english, 2015

74

[Phys. Rev. B 74 , 054421 (2006)]

Zhang, Wei-Bing, Hu, Yu-Lin, Han, Ke-Li, Tang, Bi-Yu

Journal:

Physical Review B

Year:

2006

File:

PDF, 19 KB

2006

75

Electronic structure and Fermi surface character of LaNiPO from first principles

Zhang, Wei-Bing, Xiao, Xiao-Bing, Yu, Wei-Yang, Wang, Na, Tang, Bi-Yu

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 478 KB

english, 2008

76

Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions

Tang, Bi-Yu, Yang, Ben-Hui, Han, Ke-Li, Zhang, Rui-Qin, Zhang, John Z. H.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 363 KB

english, 2000

77

Quantum dynamics study of the Cl+D[sub 2] reaction: Time-dependent wave packet calculations

Yang, Ben-Hui, Tang, Bi-Yu, Yin, Hong-Ming, Han, Ke-Li, Zhang, John Z. H.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 324 KB

english, 2000

78

Time-dependent quantum wave packet study of the C+CH reaction

Tang, Bi-Yu, Chen, Mao-Du, Han, Ke-Li, Zhang, John Z. H.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 352 KB

english, 2001

79

Adsorption of oxygen atoms on the Mg[sub 3]Nd(001) surface

Wang, Na, Zhang, Wei-Bing, Li, Wen, Zeng, Xiao-Qin, Ding, Wen-Jiang, Tang, Bi-Yu

Journal:

Journal of Applied Physics

Year:

2008

Language:

english

File:

PDF, 561 KB

english, 2008

80

Pressure dependence of exchange interactions in

Zhang, Wei-Bing, Hu, Yu-Lin, Han, Ke-Li, Tang, Bi-Yu

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 106 KB

english, 2006

81

Surface adsorption phase diagram of O/Ni(110) system: An ab initio atomistic thermodynamics investigation

Zhang, Wei-Bing, Tang, Bi-Yu

Journal:

Applied Physics Letters

Year:

2009

Language:

english

File:

PDF, 299 KB

english, 2009

82

Accurate quantum mechanical calculation for the N+OH reaction

Chen, Mao-Du, Tang, Bi-Yu, Han, Ke-Li, Lou, Nan-Quan, Zhang, John Z. H.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 434 KB

english, 2003

83

STRONG VIBRATIONAL ENHANCEMENT OF SUBSTANTIALLY ENDOTHERMIC REACTION K + HF: A TIME-DEPENDENT QUANTUM WAVE PACKET STUDY

TANG, PING-YING, QUAN, WEI-LONG, TANG, BI-YU, HAN, KE-LI

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 189 KB

english, 2006

84

Structural distortion and electronic properties of NiO under high pressure: an ab initio GGA+ U study

Zhang, Wei-Bing, Hu, Yu-Lin, Han, Ke-Li, Tang, Bi-Yu

Journal:

Journal of Physics Condensed Matter

Year:

2006

Language:

english

File:

PDF, 338 KB

english, 2006

85

Structural evolution and electronic mechanism for KBH4 phase transition from first-principles calculations

Wu, Dong-Hai, Wang, Hai-Chen, Shao, Lin, Wei, Liu-Ting, Tang, Bi-Yu

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.15 MB

english, 2015

86

Effects of single- and co-substitution of Ti on dehydrogenation of Mg2NiH4: A first-principles study

Wei, Liu-Ting, Pan, Xiong-Ze, Wu, Dong-Hai, Wang, Hai-Chen, Shao, Lin, Zheng, Jie, Tang, Bi-Yu

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 1.86 MB

english, 2015

87

Stability of the polar NiO(111) surface

Zhang, Wei-Bing, Tang, Bi-Yu

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 757 KB

english, 2008

88

First-principles study of a double-cation alkali metal borohydride LiK(BH 4 ) 2

Xiao, Xiao-Bing, Yu, Wei-Yang, Tang, Bi-Yu

Journal:

Journal of Physics Condensed Matter

Year:

2008

Language:

english

File:

PDF, 507 KB

english, 2008

89

First-principles study on the elastic properties of B′ and Q phase in Al–Mg–Si (–Cu) alloys

Pan, Rong-Kai, Ma, Li, Bian, Nan, Wang, Ming-Hui, Li, Peng-Bo, Tang, Bi-Yu, Peng, Li-Ming, Ding, Wen-Jiang

Journal:

Physica Scripta

Year:

2013

Language:

english

File:

PDF, 199 KB

english, 2013

90

The native point defects in C14 Mg2Ca Laves phase: A first-principles study

Shao, Lin, Shi, Tao-Tao, Zheng, Jie, Pan, Xiong-Ze, Tang, Bi-Yu

Journal:

Year:

2015

Language:

english

File:

PDF, 1.65 MB

english, 2015

91

Study of the structural, elastic and electronic properties of ordered Ca(Mg 1− x Li x ) 2 alloys from first-principles calculations

Mo, Zhou-Sheng, Zeng, Meng-Xue, Wang, Ren-Nian, Chen, Xiao-Jun, Tang, Bi-Yu, Peng, Li-Ming, Ding, Wen-Jiang

Journal:

Physica Scripta

Year:

2011

Language:

english

File:

PDF, 2.27 MB

english, 2011

92

Crystal feature and electronic structure of novel mixed alanate LiCa(AlH 4 ) 3 : a density functional theory investigation

Wang, Hai-Chen, Zheng, Jie, Wu, Dong-Hai, Wei, Liu-Ting, Tang, Bi-Yu

Journal:

Year:

2015

Language:

english

File:

PDF, 1.70 MB

english, 2015

93

First-principles study of point defects in C14 MgZn2 Laves phase

Shao, Lin, Shi, Tao-Tao, Zheng, Jie, Wang, Hai-Chen, Pan, Xiong-Ze, Tang, Bi-Yu

Journal:

Journal of Alloys and Compounds

Year:

2016

Language:

english

File:

PDF, 1.76 MB

english, 2016

94

Ab initio investigation of native point defects in Mg24Y5

Zheng, Jie, Tian, Xiao, Wei, Xiao-Lin, Shao, Lin, Pan, Xiong-Ze, Tang, Bi-Yu

Journal:

Materials Chemistry and Physics

Year:

2015

Language:

english

File:

PDF, 1.04 MB

english, 2015

95

Temperature dependence of elastic properties of L12-Al3Sc: A first-principles study

Pan, Rong-Kai, Wang, Hai-Chen, Shao, Lin, Zheng, Jie, Pan, Xiong-Ze, Tang, Bi-Yu

Journal:

Computational Materials Science

Year:

2016

Language:

english

File:

PDF, 1.75 MB

english, 2016

96

First-Principle Calculations of the MgYA4 (A = Co and Ni) Phase with AuBe5-Type Structure

Wang, Na, Zhang, Wei-Bing, Tang, Bi-Yu, He, En-Jie, Zhang, Mao-Lian

Journal:

Acta Metallurgica Sinica (English Letters)

Year:

2015

Language:

english

File:

PDF, 955 KB

english, 2015

97

Electronic structures and elastic properties of monolayer and bilayer transition metal dichalcogenides MX 2 ( M = Mo, W; X = O, S, Se, Te): A comparative first-principles study

Zeng, Fan, Zhang, Wei-Bing, Tang, Bi-Yu

Journal:

Chinese Physics B

Year:

2015

Language:

english

File:

PDF, 4.04 MB

english, 2015

98

Thermal properties and thermoelasticity of L12 ordered Al3RE (RE=Er, Tm, Yb, Lu) phases: A first-principles study

Pan, Rong-Kai, Wang, Hai-Chen, Shi, Tao-Tao, Tian, Xiao, Tang, Bi-Yu

Journal:

Materials & Design

Year:

2016

Language:

english

File:

PDF, 893 KB

english, 2016

99

Point defects and Zn-doping in defective Laves phase C15 MgCu2: A first-principles study

Zheng, Jie, Tian, Xiao, Shao, Lin, Pan, Xiong-Ze, Tang, Ping-Ying, Tang, Bi-Yu

Journal:

Computational Materials Science

Year:

2016

Language:

english

File:

PDF, 1.90 MB

english, 2016

100

Bending rigidity of transition metal dichalcogenide monolayers from first-principles

Lai, Kang, Zhang, Wei-Bing, Zhou, Fa, Zeng, Fan, Tang, Bi-Yu

Journal:

Journal of Physics D Applied Physics

Year:

2016

Language:

english

File:

PDF, 925 KB

english, 2016