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Simulation of intermediate order in polymeric glasses
Authors:Peter J Ludovice  Savant Ahmed  Jon van Order  Jerry Jenkins
Abstract:The glass phase of most polymers is typically considered amorphous. However, many commercially important polymer glasses do contain a subtle level of structural order intermediate between the crystalline and truly amorphous phases. These include a number of commercially important polymers. This “Intermediate Order” is distributed homogeneously throughout the glass phase and is therefore quite different than the morphology of semi-crystalline materials. Typical computer simulation methods can fail to accurately reproduce the structure of polymers with intermediate order, because they are often based on the assumption that the polymer structure is truly amorphous. Given the subtle nature of this order, computer simulation is important in understanding this structural order and the unique material properties commonly associated with it. We outline the critical issues required for the successful simulation of polymer glasses with intermediate order, and discuss the results of some continuing research designed to improve the accuracy of such simulations.
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