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101

[P12] Calculation of Dilute Tracer Diffusion Coefficients in Mg Using First-principles Methods

Zhou, Bi-Cheng, Shang, Shun-Li, Wang, Yi, Liu, Zi-Kui

Journal:

Year:

2015

Language:

english

File:

PDF, 45 KB

english, 2015

102

SPIE Proceedings [SPIE 1997 Shanghai International Conference on Laser Medicine and Surgery - Shanghai, China (Tuesday 4 November 1997)] 1997 Shanghai International Conference on Laser Medicine and Surgery - Histological study of frequency-doubled Nd:YAG laser trabeculoplasty on monkey eyes

Yu, Zi-kui, Wang, Kang-sun, Shi, Hai-yun, Zhu, Jing

Year:

1998

Language:

english

File:

PDF, 1.30 MB

english, 1998

103

Atomic-Level Mechanisms of Nucleation of Pure Liquid Metals during Rapid Cooling

Han, Jiajia, Wang, Cuiping, Liu, Xingjun, Wang, Yi, Liu, Zi-Kui, Jiang, Jianzhong

Journal:

Year:

2015

Language:

english

File:

PDF, 8.79 MB

english, 2015

104

SPIE Proceedings [SPIE 1997 Shanghai International Conference on Laser Medicine and Surgery - Shanghai, China (Tuesday 4 November 1997)] 1997 Shanghai International Conference on Laser Medicine and Surgery - Therapeutic effect evaluation of frequency-doubled Nd:YAG laser trabeculoplasty

Yu, Zi-kui, Wang, Kang-sun, Shi, Hai-yun, Liu, Yan-wei, Zhu, Jing

Year:

1998

Language:

english

File:

PDF, 212 KB

english, 1998

105

First-principles investigation of phase stability, elastic and thermodynamic properties in L12 Co3(Al,Mo,Nb) phase

Yao, Qiang, Shang, Shun-Li, Hu, Yong-Jie, Wang, Yi, Wang, Yan, Zhu, Yu-Hong, Liu, Zi-Kui

Journal:

Year:

2016

Language:

english

File:

PDF, 1.71 MB

english, 2016

106

Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS2

Shang, Shun-Li, Lindwall, Greta, Wang, Yi, Redwing, Joan M., Anderson, Tim, Liu, Zi-Kui

Journal:

Year:

2016

Language:

english

File:

PDF, 3.16 MB

english, 2016

107

Fabrication of nano-porous γ-Al2O3 layers on porous Ti-48Al-6Nb alloys

Wang, Fan, Lin, Jun-Pin, Liang, Yong-Feng, Shang, Shun-Li, Liu, Zi-Kui

Journal:

Materials & Design

Year:

2016

Language:

english

File:

PDF, 3.01 MB

english, 2016

108

Thermodynamic reassessment of the Ni–Si–Ti system using a four-sublattice model for ordered/disordered fcc phases supported by first-principles calculations

Hu, Biao, Yuan, Xiaoming, Du, Yong, Wang, Jiong, Liu, Zi-Kui

Journal:

Journal of Alloys and Compounds

Year:

2017

Language:

english

File:

PDF, 2.93 MB

english, 2017

109

First-principles calculations of lattice dynamics and thermal properties of polar solids

Wang, Yi, Shang, Shun-Li, Fang, Huazhi, Liu, Zi-Kui, Chen, Long-Qing

Journal:

npj Computational Materials

Year:

2016

Language:

english

File:

PDF, 1.49 MB

english, 2016

110

Computational Thermodynamics of Materials || Experimental data for thermodynamic modeling

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 164 KB

english, 2016

111

Computational Thermodynamics of Materials || Appendix A: YPHON

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 111 KB

english, 2016

112

Computational Thermodynamics of Materials || Appendix B: SQS templates

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 64 KB

english, 2016

113

Computational Thermodynamics of Materials || Phase equilibria in heterogeneous systems

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 2.48 MB

english, 2016

114

Computational Thermodynamics of Materials || First-principles calculations and theory

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 775 KB

english, 2016

115

Computational Thermodynamics of Materials || Laws of thermodynamics

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 257 KB

english, 2016

116

Computational Thermodynamics of Materials || Applications to electrochemical systems

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 929 KB

english, 2016

117

Computational Thermodynamics of Materials || Applications to chemical reactions

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 2.05 MB

english, 2016

118

Computational Thermodynamics of Materials || CALPHAD modeling of thermodynamics

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 1.16 MB

english, 2016

119

Computational Thermodynamics of Materials || Gibbs energy function

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 954 KB

english, 2016

120

Computational Thermodynamics of Materials || Critical phenomena, thermal expansion, and Materials Genome®

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 1.25 MB

english, 2016

121

Phase stability, elastic, and thermodynamic properties of the L12 (Co,Ni)3(Al,Mo,Nb) phase from first-principles calculations

Yao, Qiang, Shang, Shun-Li, Wang, Kang, Liu, Feng, Wang, Yi, Wang, Qiong, Lu, Tong, Liu, Zi-Kui

Journal:

Journal of Materials Research

Year:

2017

Language:

english

File:

PDF, 504 KB

english, 2017

122

Exceptionally High Ionic Conductivity in Na 3 P 0.62 As 0.38 S 4 with Improved Moisture Stability for Solid-State Sodium-Ion Batteries

Yu, Zhaoxin, Shang, Shun-Li, Seo, Joo-Hwan, Wang, Daiwei, Luo, Xiangyi, Huang, Qingquan, Chen, Shuru, Lu, Jun, Li, Xiaolin, Liu, Zi-Kui, Wang, Donghai

Journal:

Advanced Materials

Year:

2017

Language:

english

File:

PDF, 1.11 MB

english, 2017

123

Insight into the Mechanism of Thermal Stability of α-Diimine Nickel Complex in Catalyzing Ethylene Polymerization

Zhu, Liang, Zang, Dandan, Wang, Yi, Guo, Yintian, Jiang, Baiyu, He, Feng, Fu, Zhisheng, Fan, Zhiqiang, Hickner, Michael A., Liu, Zi-Kui, Chen, Long-Qing

Journal:

Organometallics

Year:

2017

Language:

english

File:

PDF, 1.96 MB

english, 2017

124

Computational Thermodynamics of Materials || References

Liu, Zi-Kui, Wang, Yi

Year:

2016

Language:

english

File:

PDF, 67 KB

english, 2016

125

Origin of outstanding phase and moisture stability in Na 3 P 1-x As x S 4 superionic conductor

Shang, Shun-Li, Yu, Zhaoxin, Wang, Yi, Wang, Donghai, Liu, Zi-Kui

Journal:

ACS Applied Materials & Interfaces

Year:

2017

Language:

english

File:

PDF, 2.81 MB

english, 2017

126

Tuning Phase Transitions in 1T-TaS2 via the Substrate

Zhao, Rui, Wang, Yi, Deng, Donna D., Luo, Xuan, Lu, Wenjian, Sun, Yuping, Chen, Long-Qing, Liu, Zi-Kui, Robinson, Joshua A.

Journal:

Year:

2017

Language:

english

File:

PDF, 1.20 MB

english, 2017

127

Strengthening Mg by self-dispersed nano-lamellar faults

Wang, William Yi, Wang, Yi, Shang, Shun Li, Darling, Kristopher A., Kim, Hongyeun, Tang, Bin, Kou, Hong Chao, Mathaudhu, Suveen N., Hui, Xi Dong, Li, Jin Shan, Kecskes, Laszlo J., Liu, Zi-Kui

Journal:

Materials Research Letters

Year:

2017

Language:

english

File:

PDF, 3.97 MB

english, 2017

128

Solute-induced solid-solution softening and hardening in bcc tungsten

Hu, Yong-Jie, Fellinger, Michael R., Bulter, Brady G., Wang, Yi, Darling, Kristopher A., Kecskes, Laszlo J., Trinkle, Dallas R., Liu, Zi-Kui

Journal:

Acta Materialia

Year:

2017

Language:

english

File:

PDF, 5.01 MB

english, 2017

129

First-principles calculations and thermodynamic modeling of the Yb-Ni binary system

Hu, Yong-Jie, Wang, Yi, Firdosy, Samad A., Star, Kurt E., Fleurial, Jean-Pierre, Ravi, Vilupanur A., Liu, Zi-Kui

Journal:

Year:

2017

Language:

english

File:

PDF, 1.56 MB

english, 2017

130

Quasiharmonic calculations of thermodynamic properties for La 3−x Te 4 system

Wang, Yi, Hu, Yong-Jie, Chong, Xiaoyu, Palma, Jorge Paz Soldan, Firdosy, Samad A., Star, Kurt E., Fleurial, Jean-Pierre, Ravi, Vilupanur A., Shang, Shun-Li, Chen, Long-Qing, Liu, Zi-Kui

Journal:

Computational Materials Science

Year:

2018

Language:

english

File:

PDF, 3.52 MB

english, 2018

131

Atomic and electronic basis for solutes strengthened (010) anti-phase boundary of L1 2 Co 3 (Al, TM): A comprehensive first-principles study

Wang, William Yi, Xue, Fei, Zhang, Ying, Shang, Shun-Li, Wang, Yi, Darling, Kristopher A., Kecskes, Laszlo J., Li, Jinshan, Hui, Xidong, Feng, Qiang, Liu, Zi-Kui

Journal:

Acta Materialia

Year:

2017

Language:

english

File:

PDF, 6.22 MB

english, 2017

132

A Quaternary Sodium Superionic Conductor - Na 10.8 Sn 1.9 PS 11.8

Yu, Zhaoxin, Shang, Shun-Li, Gao, Yue, Wang, Daiwei, Li, Xiaolin, Liu, Zi-Kui, Wang, Donghai

Journal:

Year:

2018

Language:

english

File:

PDF, 1.15 MB

english, 2018

133

Martensitic transition in Fe via Bain path at finite temperatures: A comprehensive first-principles study

Wang, Kang, Shang, Shun-Li, Wang, Yi, Liu, Zi-Kui, Liu, Feng

Journal:

Acta Materialia

Year:

2018

Language:

english

File:

PDF, 1.66 MB

english, 2018

134

First-principles calculations of lattice dynamics and thermodynamic properties for Yb 14 MnSb 11

Wang, Yi, Hu, Yong-Jie, Firdosy, Samad A., Star, Kurt E., Fleurial, Jean-Pierre, Ravi, Vilupanur A., Chen, Long-Qing, Shang, Shun-Li, Liu, Zi-Kui

Journal:

Journal of Applied Physics

Year:

2018

Language:

english

File:

PDF, 7.01 MB

english, 2018

135

Elastic properties of long periodic stacking ordered phases in Mg-Gd-Al alloys: A first-principles study

Kim, Hongyeun, Wang, William Yi, Shang, Shun-Li, Kecskes, Laszlo J., Darling, Kristopher A., Liu, Zi-Kui

Journal:

Year:

2018

Language:

english

File:

PDF, 2.94 MB

english, 2018

136

Deposition of CVD-TiCN and TiAlN coatings guided with thermodynamic calculations

Du, Liye, Wang, Shaoqing, Du, Yong, Qiu, Lianchang, Chen, Zhuo, Chen, Xiangming, Liu, Zi-kui, Zhang, Cong

Journal:

International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde)

Year:

2018

Language:

english

File:

PDF, 484 KB

english, 2018

137

Thermodynamic modeling of the La-Te system aided by first-principles calculations

Hu, Yong-Jie, Paz Soldan Palma, Jorge, Wang, Yi, Firdosy, Samad A., Star, Kurt E., Fleurial, Jean-Pierre, Ravi, Vilupanur A., Liu, Zi-Kui

Journal:

Year:

2018

Language:

english

File:

PDF, 1.30 MB

english, 2018

138

Understanding The Intrinsic P-type Behavior and Phase Stability of Thermoelectric α-Mg3Sb2

Chong, XiaoYu, Guan, Pinwen, Wang, Yi, Shang, Shun-Li, Paz Soldan Palma, Jorge, Drymiotis, Fivos, Ravi, Vilupanur, Star, Kurt, Fleurial, Jean-Pierre, Liu, Zi-Kui

Journal:

ACS Applied Energy Materials

Year:

2018

Language:

english

File:

PDF, 1.72 MB

english, 2018

139

Mass and thermal transport in liquid Cu-Ag alloys

Sarder, Ujjal, Ahmed, Tanvir, Wang, William Yi, Kozubski, Rafal, Liu, Zi-Kui, Belova, Irina V., Murch, Graeme E.

Journal:

Philosophical Magazine

Year:

2018

Language:

english

File:

PDF, 3.09 MB

english, 2018

140

Synthesis and Understanding of Na11Sn2PSe12 with Enhanced Ionic Conductivity for All-Solid-State Na-on Battery

Yu, Zhaoxin, Shang, Shun-Li, Wang, Daiwei, Li, Yuguang, Yennawar, Hemant P., Li, Guoxing, Huang, Haw-Tyng, Gao, Yue, Mallouk, Thomas E., Liu, Zi-Kui, Wang, Donghai

Journal:

Energy Storage Materials

Year:

2018

Language:

english

File:

PDF, 1.13 MB

english, 2018

141

First-principles thermodynamic theory of Seebeck coefficients

Wang, Yi, Hu, Yong-Jie, Bocklund, Brandon, Shang, Shun-Li, Zhou, Bi-Cheng, Liu, Zi-Kui, Chen, Long-Qing

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 466 KB

english, 2018

142

First-principles calculations and thermodynamic modelling of long periodic stacking ordered (LPSO) phases in Mg-Al-Gd

Kim, Hongyeun, Ross, Austin J., Shang, Shun-Li, Wang, Yi, Kecskes, Laszlo J., Liu, Zi-Kui

Journal:

Year:

2018

Language:

english

File:

PDF, 3.70 MB

english, 2018

143

An alternative approach to predict Seebeck coefficients: Application to La3−xTe4

Wang, Yi, Chong, Xiaoyu, Hu, Yong-Jie, Shang, Shun-Li, Drymiotis, Fivos R., Firdosy, Samad A., Star, Kurt E., Fleurial, Jean-Pierre, Ravi, Vilupanur A., Chen, Long-Qing, Liu, Zi-Kui

Journal:

Scripta Materialia

Year:

2019

Language:

english

File:

PDF, 1.36 MB

english, 2019

144

High-throughput thermodynamic calculations of phase equilibria in solidified 6016 Al-alloys

Zhang, Cong, Jiang, Xue, Zhang, Ruijie, Wang, Xin, Yin, Haiqing, Qu, Xuanhui, Liu, Zi-Kui

Journal:

Computational Materials Science

Year:

2019

Language:

english

File:

PDF, 2.47 MB

english, 2019

145

Study on impact of Cr and Mo on diffusion of H in 2.25Cr1Mo steel using first-principle calculations

Wang, Wenyi, Li, Chuan, Shang, Shun-Li, Cao, Jianzhu, Liu, Zi-Kui, Fang, Chao

Journal:

Journal of Nuclear Materials

Year:

2019

Language:

english

File:

PDF, 1.15 MB

english, 2019

146

When a defect is a pathway to improve stability: a case study of the L12 Co3TM superlattice intrinsic stacking fault

Zhang, Ying, Li, Jinshan, Wang, William Yi, Li, Peixuan, Tang, Bin, Wang, Jun, Kou, Hongchao, Shang, Shunli, Wang, Yi, Kecskes, Laszlo J., Hui, Xidong, Feng, Qiang, Liu, Zi-Kui

Journal:

Journal of Materials Science

Year:

2019

Language:

english

File:

PDF, 2.41 MB

english, 2019

147

When a defect is a pathway to improve stability: a case study of the L12 Co3TM superlattice intrinsic stacking fault

Zhang, Ying, Li, Jinshan, Wang, William Yi, Li, Peixuan, Tang, Bin, Wang, Jun, Kou, Hongchao, Shang, Shunli, Wang, Yi, Kecskes, Laszlo J., Hui, Xidong, Feng, Qiang, Liu, Zi-Kui

Journal:

Journal of Materials Science

Year:

2019

File:

PDF, 2.41 MB

2019

148

Activation volume dominated diffusivity of Ni50Al50 melt under extreme conditions

Tang, Jian, Xue, Xiangyi, Yi Wang, William, Lin, Deye, Ahmed, Tanvir, Wang, Jun, Tang, Bin, Shang, Shunli, Belova, Irina V., Song, Haifeng, Murch, Graeme E., Li, Jinshan, Liu, Zi-Kui

Journal:

Computational Materials Science

Year:

2020

Language:

english

File:

PDF, 6.21 MB

english, 2020

149

Diffusion of hydrogen isotopes in 3C-SiC in HTR-PM: A first-principles study

Wang, Wenyi, Li, Chuan, Shang, Shun-Li, Cao, Jianzhu, Liu, Zi-Kui, Wang, Yi, Fang, Chao

Journal:

Progress in Nuclear Energy

Year:

2019

Language:

english

File:

PDF, 1.25 MB

english, 2019

150

Unveiling non-equilibrium metallurgical phases in dissimilar Al-Cu joints processed by vaporizing foil actuator welding

Wang, Kaifeng, Shang, Shun-Li, Wang, Yuxiang, Vivek, Anupam, Daehn, Glenn, Liu, Zi-Kui, Li, Jingjing

Journal:

Materials & Design

Year:

2019

Language:

english

File:

PDF, 4.43 MB

english, 2019