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

FiPy http://www.ctcms.nist.gov/fipy/

Written in Python www.python.org

Alexander Bartol and R. Edwin Garcia

National Science Foundation cooperative agreement EEC-6043750 (2008-2009). Also partially supported by NSF DMR 0805022, .

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Researchers should cite this work as follows:

• Alex Bartol; R. Edwin Garci­a; David R. Ely; Jon Guyer (2012), "The Virtual Kinetics of Materials Laboratory," https://nanohub.org/resources/vkmllive. (DOI: 10.4231/D34B2X430).

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1. battery modeling
2. diffusion
3. phase diagrams
4. phase field
5. thermodynamics