From Games and Films to Molecular Simulation and Design


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Propelled by the multi-billion dollar game and film industries, CG software has evolved dramatically in sophistication. Effects range from realistic explosions to the chaotic movement driven by wind and other fluids. This paper describes our experience at Autodesk Research in repurposing Nucleus, a physics engine included in one of these CG software packages called Maya, to create order instead of naturally looking chaos. Since our intention was not to animate molecular interactions but to get to a state closer to simulation, our work focused on the assignment of local constraints and Lennard-Jones force potentials between atoms and molecules from which an emergent behavior unfolds according to experimental data. Flory-Huggins interactions were also considered.

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Journal: TechConnect Briefs
Volume: 2, Nanotechnology 2011: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational
Published: June 13, 2011
Pages: 571 - 574
Industry sector: Advanced Materials & Manufacturing
Topic: Informatics, Modeling & Simulation
ISBN: 978-1-4398-7139-3