The Virtual Kinetics of Materials Laboratory (VKML) is a web environment to develop microstructural evolution models by using FiPy, a powerful set of python-based libraries to write Partial Differential Equations. A basic set of examples is provided to simulate: a) the electrochemical transport kinetics of rechargeable lithium-ion batteries; b) simple diffusion and spinodal decomposition problems; c) Symbolic Thermodynamics using the Gibbs infrastructure; and d) basic examples to learn how to write a program with a simple GUI. Each example can be readily edited, debugged, and run online. The developed interface also provides a TKInter-based GUI, which enables the user to rapidly prototype flexible interfaces with sliders, menus, and buttons.
Other (static) VKML modules are:
VKML : Dendritic Growth
VKML : Polycrystalline Growth and Coarsening
VKML : Spinodal Decomposition
VKML : Spinodal Decomposition 3D
Gibbs: Symbolic Computation of Materials Thermodynamics
R. Edwin Garcia
National Science Foundation cooperative agreement EEC-6043750 (2008-2009).
Also partially supported by NSF DMR 0805022 (2009-2010), and NSF CMMI 0856491(2010-2013).
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T. Cool,* A. Bartol,* M. Kasenga,* K. Modi, and R. E. García. "Gibbs: Symbolic Computation of Thermodynamic Properties and Phase Equilibria." CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry. (34) 393-404, 2010. DOI:10.1016/j.calphad.2010.07.005
Researchers should cite this work as follows:
Alex Bartol, R. Edwin García, David R. Ely (2015), "The Virtual Kinetics of Materials Laboratory," http://nanohub.org/resources/vkmllive. (DOI: 10.4231/D34B2X430).