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1

Integrated computational materials engineering for advanced materials: A brief review

Yi Wang, William, Li, Jinshan, Liu, Weimin, Liu, Zi-Kui

Journal:

Computational Materials Science

Year:

2019

Language:

english

File:

PDF, 6.19 MB

english, 2019

2

First-Principles Calculations and CALPHAD Modeling of Thermodynamics

Journal:

Journal of Phase Equilibria and Diffusion

Year:

2009

Language:

english

File:

PDF, 763 KB

english, 2009

3

Microstructural characteristics and crack formation in additively manufactured bimetal material of 316L stainless steel and Inconel 625

Chen, Nannan, Khan, Haris Ali, Wan, Zixuan, Lippert, John, Sun, Hui, Shang, Shun-Li, Liu, Zi-Kui, Li, Jingjing

Journal:

Additive Manufacturing

Year:

2020

Language:

english

File:

PDF, 3.53 MB

english, 2020

4

Software for thermodynamic and kinetic calculation and modelling

Bengt Hallstedt, Zi-Kui Liu

Journal:

Year:

2009

Language:

english

File:

PDF, 302 KB

english, 2009

5

[P6] Effects of alloying elements on elastic properties of Al by first-principles calculations

Wang, Jiong, Du, Yong, Shang, Shun-Li, Liu, Zi-Kui, Li, Yiwei

Journal:

Year:

2015

Language:

english

File:

PDF, 72 KB

english, 2015

6

Linking length scales via materials informatics

Zi-Kui Liu, Long-Qing Chen, Krishna Rajan

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2006

Language:

english

File:

PDF, 4.34 MB

english, 2006

7

Application of the Le Chatelier principle on gas reactions

Zi-Kui Liu, John Ågren, Mats Hillert

Journal:

Fluid Phase Equilibria

Year:

1996

Language:

english

File:

PDF, 596 KB

english, 1996

8

Toward an integrated computational system for describing the additive manufacturing process for metallic materials

Martukanitz, Richard, Michaleris, Pan, Palmer, Todd, DebRoy, Tarasankar, Liu, Zi-Kui, Otis, Richard, Heo, Tae Wook, Chen, Long-Qing

Journal:

Additive Manufacturing

Year:

2014

Language:

english

File:

PDF, 2.96 MB

english, 2014

9

Toward Metamodels for Composable and Reusable Additive Manufacturing Process Models

Witherell, Paul, Feng, Shaw, Simpson, Timothy W., Saint John, David B., Michaleris, Pan, Liu, Zi-Kui, Chen, Long-Qing, Martukanitz, Rich

Journal:

Journal of Manufacturing Science and Engineering

Year:

2014

Language:

english

File:

PDF, 7.10 MB

english, 2014

10

Additive manufacturing of a functionally graded material from Ti-6Al-4V to Invar: Experimental characterization and thermodynamic calculations

Bobbio, Lourdes D., Otis, Richard A., Borgonia, John Paul, Dillon, R. Peter, Shapiro, Andrew A., Liu, Zi-Kui, Beese, Allison M.

Journal:

Acta Materialia

Year:

2017

Language:

english

File:

PDF, 10.52 MB

english, 2017

11

High-Throughput Thermodynamic Modeling and Uncertainty Quantification for ICME

Otis, Richard A., Liu, Zi-Kui

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2017

Language:

english

File:

PDF, 1.04 MB

english, 2017

12

Ocean of Data: Integrating First-Principles Calculations and CALPHAD Modeling with Machine Learning

Journal:

Journal of Phase Equilibria and Diffusion

Year:

2018

Language:

english

File:

PDF, 2.59 MB

english, 2018

13

Multiscale Entropy and Its Implications to Critical Phenomena, Emergent Behaviors, and Information

Liu, Zi-Kui, Li, Bing, Lin, Henry

Journal:

Journal of Phase Equilibria and Diffusion

Year:

2019

Language:

english

File:

PDF, 1.16 MB

english, 2019

14

Coarsening kinetics of γ′ precipitates in the Ni–Al–Mo system

Tao Wang, Guang Sheng, Zi-Kui Liu, Long-Qing Chen

Journal:

Acta Materialia

Year:

2008

Language:

english

File:

PDF, 614 KB

english, 2008

15

Computational investigation of constitutional liquation in Al–Cu alloys

Chao Jiang, Zi-Kui Liu

Journal:

Acta Materialia

Year:

2003

Language:

english

File:

PDF, 352 KB

english, 2003

16

Modeling of lattice parameter in the Ni-Al system

Tao Wang, Jingzhi Zhu, Longqing Chen, Zi-Kui Liu, Rebecca A. Mackay

Journal:

Metallurgical and Materials Transactions A

Year:

2004

Language:

english

File:

PDF, 181 KB

english, 2004

17

Thermodynamic assessment of the Al-Fe-Si system

Zi-Kui Liu, Y. Austin Chang

Journal:

Metallurgical and Materials Transactions A

Year:

1999

Language:

english

File:

PDF, 787 KB

english, 1999

18

Modeling of Thermodynamic Properties and Phase Equilibria for the Cu-Mg Binary System

Shihuai Zhou, Yi Wang, Frank G. Shi, Ferdinand Sommer, Long-Qing Chen, Zi-Kui Liu, Ralph E. Napolitano

Journal:

Journal of Phase Equilibria and Diffusion

Year:

2007

Language:

english

File:

PDF, 411 KB

english, 2007

19

JOM-e: The symposium on computational methods in materials education

Zi-Kui Liu, Long-Qing Chen, Mark Asta

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2003

Language:

english

File:

PDF, 47 KB

english, 2003

20

Creep resistant Mg-Al-Ca alloys: Computational thermodynamics and experimental investigation

Koray Ozturk, Yu Zhong, Zi-Kui Liu, Alan A. Luo

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2003

Language:

english

File:

PDF, 205 KB

english, 2003

21

USAMP Magnesium Powertrain Cast Components: Fundamental research summary

Randy S. Beals, Zi-Kui Liu, J. Wayne Jones, P. K. Mallick, Daryoush Emadi, David Schwam, Bob R. Powell

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2007

Language:

english

File:

PDF, 349 KB

english, 2007

22

The development and application of a thermodynamic database for magnesium alloys

ShunLi Shang, Hui Zhang, Swetha Ganeshan, Zi-Kui Liu

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2008

Language:

english

File:

PDF, 375 KB

english, 2008

23

Thermodynamic calculations and phase diagrams for magnesium and its alloys: Part I

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2008

Language:

english

File:

PDF, 162 KB

english, 2008

24

The EMPMD: A positive force in TMS programming

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2009

Language:

english

File:

PDF, 71 KB

english, 2009

25

Thermodynamic calculations and phase diagrams for magnesium and its alloys: Part II

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2009

Language:

english

File:

PDF, 271 KB

english, 2009

26

A materials research paradigm driven by computation

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2009

File:

PDF, 1.63 MB

2009

27

Elastic properties of cubic, tetragonal and monoclinic ZrO2 from first-principles calculations

Xu-Shan Zhao, Shun-Li Shang, Zi-Kui Liu, Jian-Yun Shen

Journal:

Journal of Nuclear Materials

Year:

2011

Language:

english

File:

PDF, 231 KB

english, 2011

28

A thermodynamic description of the Al–Fe–Si system over the whole composition and temperature ranges via a hybrid approach of CALPHAD and key experiments

Yong Du, Julius Clemens Schuster, Zi-Kui Liu, Rongxiang Hu, Philip Nash, Weihua Sun, Weiwei Zhang, Jiong Wang, Lijun Zhang, Chengying Tang, Zhijun Zhu, Shuhong Liu, Yifang Ouyang, Wenqing Zhang, Natal

Journal:

Year:

2008

Language:

english

File:

PDF, 818 KB

english, 2008

29

Morphology of cementite decomposition in an fe-cr-c alloy

ZI-Kui Liu, John ågren

Journal:

Metallurgical and Materials Transactions A

Year:

1991

Language:

english

File:

PDF, 2.51 MB

english, 1991

30

An experimental and theoretical study of cementite dissolution in an Fe-Cr-C alloy

ZI-Kui Liu, Lars Höglund, Björn Jönsson, John ågren

Journal:

Metallurgical and Materials Transactions A

Year:

1991

Language:

english

File:

PDF, 1.46 MB

english, 1991

31

Al2(Mg,Ca) phases in Mg–Al–Ca ternary system: First-principles prediction and experimental identification

Yu Zhong, Jing Liu, Ron A. Witt, Yong-ho Sohn, Zi-Kui Liu

Journal:

Scripta Materialia

Year:

2006

Language:

english

File:

PDF, 819 KB

english, 2006

32

Modeling of Ni–Cr–Mo based alloys: Part I—phase stability

P.E.A. Turchi, L. Kaufman, Zi-Kui Liu

Journal:

Year:

2006

Language:

english

File:

PDF, 8.03 MB

english, 2006

33

Thermodynamic modeling of the Hf–Si–O system

Dongwon Shin, Raymundo Arróyave, Zi-Kui Liu

Journal:

Year:

2006

Language:

english

File:

PDF, 1.19 MB

english, 2006

34

Summary of the CALPHAD XXXVI 2007 conference

Zi-Kui Liu, Steve Hansen, Joanne Murray, Phillip Spencer, James Saal

Journal:

Year:

2008

Language:

english

File:

PDF, 975 KB

english, 2008

35

First-principles study of binary special quasirandom structures for the Al–Cu, Al–Si, Cu–Si, and Mg–Si systems

Aijun Wang, Liangcai Zhou, Yi Kong, Yong Du, Zi-Kui Liu, Shun-Li Shang, Yifang Ouyang, Jiong Wang, Lijun Zhang, Jianchuan Wang

Journal:

Year:

2009

Language:

english

File:

PDF, 1.17 MB

english, 2009

36

Thermodynamic modeling of fcc order/disorder transformations in the Co–Pt system

DongEung Kim, James E. Saal, Liangcai Zhou, ShunLi Shang, Yong Du, Zi-Kui Liu

Journal:

Year:

2011

Language:

english

File:

PDF, 580 KB

english, 2011

37

First-principles calculations of binary Al compounds: Enthalpies of formation and elastic properties

Jiong Wang, Shun-Li Shang, Yi Wang, Zhi-Gang Mei, Yong-Feng Liang, Yong Du, Zi-Kui Liu

Journal:

Year:

2011

Language:

english

File:

PDF, 1.21 MB

english, 2011

38

Structural, phonon and thermodynamic properties of fcc-based metal nitrides from first-principles calculations

Aijun Wang, ShunLi Shang, Dongdong Zhao, Jiong Wang, Li Chen, Yong Du, Zi-Kui Liu, Tao Xu, Shequan Wang

Journal:

Year:

2012

Language:

english

File:

PDF, 1.00 MB

english, 2012

39

A new algorithm for the automation of phase diagram calculation

Maria Emelianenko, Zi-Kui Liu, Qiang Du

Journal:

Computational Materials Science

Year:

2006

Language:

english

File:

PDF, 523 KB

english, 2006

40

Effects of alloying elements on elastic properties of Ni by first-principles calculations

DongEung Kim, Shun-Li Shang, Zi-Kui Liu

Journal:

Computational Materials Science

Year:

2009

Language:

english

File:

PDF, 649 KB

english, 2009

41

First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al

Shun-Li Shang, Yi Wang, DongEung Kim, Zi-Kui Liu

Journal:

Computational Materials Science

Year:

2010

Language:

english

File:

PDF, 952 KB

english, 2010

42

Thermodynamic modeling of the Ba–Ni–Ti system

Shunli Shang, Zhi-Jie Liu, Zi-Kui Liu

Journal:

Journal of Alloys and Compounds

Year:

2007

Language:

english

File:

PDF, 620 KB

english, 2007

43

Thermodynamic modeling of the Cu–Mn system supported by key experiments

Cuiyun He, Yong Du, Hai-Lin Chen, Shuhong Liu, Honghui Xu, Yifang Ouyang, Zi-Kui Liu

Journal:

Journal of Alloys and Compounds

Year:

2008

Language:

english

File:

PDF, 300 KB

english, 2008

44

A computational thermodynamic assessment of the Ca-Zn system

Carl O. Brubaker, Zi-Kui Liu

Journal:

Year:

2001

Language:

english

File:

PDF, 319 KB

english, 2001

45

Thermodynamics of the Cr-Ta-W system by combining the Ab Initio and CALPHAD methods

Larry Kaufman, P.E.A. Turchi, Weiming Huang, Zi-Kui Liu

Journal:

Year:

2001

Language:

english

File:

PDF, 702 KB

english, 2001

46

First-principles elastic constants of α- and θ-Al2O3

Shang, Shunli, Wang, Yi, Liu, Zi-Kui

Journal:

Applied Physics Letters

Year:

2007

Language:

english

File:

PDF, 418 KB

english, 2007

47

Pore structure and gas permeability of high Nb-containing TiAl porous alloys by elemental powder metallurgy for microfiltration application

Fan Yang, Laiqi Zhang, Junpin Lin, Yongfeng Liang, Yuehui He, Shunli Shang, Zi-Kui Liu

Journal:

Year:

2013

Language:

english

File:

PDF, 1.36 MB

english, 2013

48

First-principles study of binary bcc alloys using special quasirandom structures

Jiang, Chao, Wolverton, C., Sofo, Jorge, Chen, Long-Qing, Liu, Zi-Kui

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 222 KB

english, 2004

49

First-principles calculations of phonon and thermodynamic properties in the boron-alkaline earth metal binary systems: B-Ca, B-Sr, and B-Ba

Shang, Shunli, Wang, Yi, Liu, Zi-Kui

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 465 KB

english, 2007

50

Accurate determination of thermodynamic properties for liquid alloys based on ab initio molecular dynamics simulation

Han, Jiajia, Wang, William Yi, Wang, Cuiping, Wang, Yi, Liu, Xingjun, Liu, Zi-Kui

Journal:

Fluid Phase Equilibria

Year:

2013

Language:

english

File:

PDF, 1.43 MB

english, 2013