A technique to prepare well-equilibrated polymer melts is presented. The method, named fine-graining, consists of two steps: the generation of continuum random ...
A technique to prepare well-equilibrated polymer melts is presented. The method, named fine-graining, consists of two steps: the generation of continuum ...
Aug 4, 2009 · A technique to prepare well-equilibrated polymer melts is presented. The method, named fine-graining, consists of two steps: the generation of ...
A technique to prepare well-equilibrated polymer melts is presented. The method, named fine-graining, consists of two steps: the generation of continuum ...
A technique to prepare well-equilibrated polymer melts is presented. The method, named fine-graining, consists of two steps: the generation of continuum ...
Fine-graining without coarse-graining: an easy and fast way to equilibrate dense polymer melts ... A hybrid all-atom/coarse grain model for multiscale ...
A technique to prepare well-equilibrated polymer melts is presented. The method, named fine-graining, consists of two steps: the generation of continuum ...
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What are the effects of coarse graining on molecular simulation of craze formation in polymer glass?
Coarse-graining lowers σ z U and σ z Q, which results from the decrease of the degrees of freedom that can store internal energy and the reduction of the energy barrier for plastic rearrangements, respectively.
Fine-graining without coarse-graining: an easy and fast way to equilibrate dense polymer melts. Type. D - Journal article. DOI. 10.1039/b902363a. Title of ...
The module is an implementation of the existing hierarchical strategy [1] for the equilibration of simple one-component polymer melts in ESPResSO++. Purpose of ...
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This method provides a rigorous bridge between atomistic and CG models by utilizing force data from atomistic MD simulations.