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Multi-scale Modeling of Entangled Polymeric Materials, Synthetic and Biological

This work is by a multidisciplinary team that seeks to predict macroscopic properties of entangled polymeric networks ab initio.

For example, the structure of fibrous networks is determined by scattering experiments (PI: Orgel). These structural data can then be used in atomistic simulations to find the mechanical properties of these fibrils (PI: Scott). These atomistic-level properties are key ingredients to develop a mesoscopic stochastic theory for predicting macroscopic mechanical properties (PI: Schieber). The results are tested and refined experimentally (PIs: Venerus, Perez-Luna, Gidalevitz).

Applications

improvement of genomics through understanding DNA electrophoresis; virtual development of synthetic polymers with desired properties; simulation of body armor/human torso interactions; design of tissue simulants.