Theory, simulations and modeling of materials

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The section “Theory, simulations and modeling of materials” welcomes the submission of high-quality original research work that provides novel insights into or significantly deepens our understanding of processing-microstructure-property relations of all materials systems using computational and theoretical tools, including but not limited to density function theory (DFT) calculations, molecular dynamics (MD) simulations, Monte-Carlo (MC) simulations, Potts Models, cellular automaton (CA) modeling, phase field models, discrete element models (DEM), finite-element analysis (FEA), etc. Research on multi-scale multi-physics simulations and optimal design of complex material systems are particularly welcomed.

Handling Editor(s)

Yang Jiao  

Engineering Research Center 387, Arizona State University, USA

Phillip Choi   

Department of Chemical and Materials Engineering Donadeo Innovation Centre for Engineering 12-243, 9211 - 116th Street Edmonton, Alberta, CANADA

John D. Clayton   

Impact Physics Department, RDRL-WMP-C, US ARL Aberdeen Proving Ground, MD 21005-5066 USA

Enzo Martinelli   

Department of Civil Engineering, University of Salerno, Via Giovanni Pallo II, 132 84084 Fisciano (SA), Italy

Shigenobu Ogata   

Department of Mechanical Science and Bioengineering, Graduate School of Engineering Science, Osaka University, Osaka 560-8531, Japan

Srikanth Patala   

Materials Science and Engineering, North Carolina State University, 911 Partners Way, Engineering Building I, Room 3002, Raleigh, NC 27606 USA

Durga Paudyal   

Division of Materials Sciences and Engineering, The Ames Laboratory, US Department of Energy, Iowa State University, Ames, IA 50011-3020, USA

Mauro Ricotta   

Department of Industrial Engineering, University of Padova, Italy

Alexander Umantsev   

Department of Chemistry/Physics, Fayetteville State University, Fayetteville, NC 28301, USA

Kalman Varga   

Department of Physics and Astronomy Vanderbilt University, Nashville, USA

Hao Wang   

Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, People's Republic of China

Qiang (David) Wang   

Department of Chemical and Biological Engineering and School of Biomedical Engineering, Colorado State University, USA

George Z.H. Zhu   

Department of Mechanical Engineering YORK UNIVERSITY 435C Bergeron Centre for Engineering Excellence 4700 Keele Street, Toronto ON, Canada

Alexandre Lavrov
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Szymon Biernat, Adam Wojciech Bydałek
+ Abstract     + HTML     + PDF(499 KB)
Jean-Louis Bretonnet
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João E. Ribeiro, Hernani Lopes, Pedro Martins, Manuel Braz-César
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Zhimin Cao, Chenhui Xu, Caiwei Xiao, Wei Liu, Jiaohu Huang, Wenjun Zong, Junjie Zhang, Tao Sun
+ Abstract     + HTML     + PDF(1233 KB)
Clara Argerich, Ruben Ibáñez, Angel León, Anaïs Barasinski, Emmanuelle Abisset-Chavanne, Francisco Chinesta
+ Abstract     + HTML     + PDF(2502 KB)
Yulia M. Panchenko, Andrey I. Marshakov, Ludmila A. Nikolaeva, Victoria V. Kovtanyuk
+ Abstract     + HTML     + PDF(1005 KB)
Martin O. Steinhauser
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Laura J. Weiser, Erik E. Santiso
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Claas Hüter, Shuo Fu, Martin Finsterbusch, Egbert Figgemeier, Luke Wells, Robert Spatschek
+ Abstract     + HTML     + PDF(264 KB)
Alp Karakoc, Ertugrul Taciroglu
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John E. J. Staggs
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