Polymers Designed for Protection (IMAGE)

U.S. Army Research Laboratory

Polymers Designed for Protection

Caption

The new AIREBO-M Potentials were validated against a pressure-volume isotherm at T=533K for polyethylene crystals. The AIREBO-M potentials showed nearly perfect agreement with REAXFF calculations and experimental data. However the AIREBO-M potentials were much more computationally efficient than REAXFF calculations, and allowed upscaling of calculations to perform much larger simulations.

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US Army

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