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Predicting Elastic Properties Using Ab Initio And Forcefield Based Simulations

Presented by Dr. David Rigby and Dr. Walter Wolf

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Attend this free webinar to: ​ Learn how to set up, execute, and analyze simulations of elastic and thermodynamic properties for a wide range of materials See how to employ such ab initio and forcefield based simulations in a high-throughput materials screening Gain insight into the underlying concepts, such as symmetry-general stress-strain relationships, polycrystalline and ensemble averaging, descriptors for hardness and ductility, Debye-Grüneisen approach to thermodynamics, thermal expansion and melting, and Hill-Walpole averaging Assess validity and accuracy from a wide range of application examples, including intermetallics, semiconductors, oxides, polymer blends, thermosets and reinforced composites

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