Free energy calculations by molecular simulations of deformed polymer glasses (Q2698840)

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Free energy calculations by molecular simulations of deformed polymer glasses
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    Free energy calculations by molecular simulations of deformed polymer glasses (English)
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    25 April 2023
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    polymer glasses
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    quasi-harmonic approximation
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    free energy calculation
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    deformation and failure
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    plasticity
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    Hessian calculation
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