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Topic Title: Article and Instructional Tutorial: An integrated framework for multi-scale materials simulation and design
Topic Summary: Z.-K.Liu et al.. Article plus a teaching program in thermodynamic modeling
Created On: 2/15/2007 10:40 PM

 2/15/2007 10:40 PM

Cathy Rohrer

Posts: 584
Joined: 2/6/2007

"An Integrated Framework for Multi-Scale Materials Simulation": This paper describes a simulation framework for linking materials chemistry via first-principles calculations combined with CALPHAD, microstructure via a phase field approach, and mechanical properties via finite element analysis. A detailed example is provided for the Al-Cu binary system.

CITATION: Z.-K. Liu, L.-Q. Chen, P. Raghavan, Q. Du, J. O. Sofo, S. A. Langer and C. Wolverton, "An integrated framework for multi-scale materials simulation and design," J. Comput-Aided Mater. Des., Volume 11, Numbers 2-3 (January 2004) 183–199.

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Also available are interactive modules for an undergraduate thermodynamics course including modeling of regular solutions, ordered phases, and reciprocal systems. Gibbs energy, chemical potentials, and activities are calculated under user specified parameters. Instructions and an executable file are provided.

CITATION: Xiaogang Lu and Zhanpeng Jin, "An animated phase diagram tutor," J. Phase Equilibia, vol.18, pp.426, 1997.

phdt.exe phdt.exe  249856 KB


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