کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5189159 | 1381178 | 2006 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Polyethylene {201} crystal surface: interface stresses and thermodynamics
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We describe a method to determine the mechanical and thermodynamic properties of the interface between a polyethylene crystal and melt by united-atom Monte Carlo simulations. In particular, the {201} fold surface is studied in the temperature range 380-450Â K. The interface properties are defined by using the concept of a sharp Gibbs dividing surface, which in turn is used to define the interface internal energy and the interface stresses. We find that the internal energy of the interface is of the order 0.3-0.35Â J/m2. The interface stresses are anisotropic for the {201} crystal surface with values of approximately â0.27 and â0.4Â J/m2 for the xx- and yy-components, respectively. By way of the Herring equation, the surface tension of the fold surface is independent of shear strains in the interface. The temperature and strain derivatives of the interface properties are also measured and discussed in detail. The influence of the interface internal energy and of phase change contributions on the macroscopic heat capacity of the semi-crystalline material is examined.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Polymer - Volume 47, Issue 15, 12 July 2006, Pages 5494-5504
Journal: Polymer - Volume 47, Issue 15, 12 July 2006, Pages 5494-5504
نویسندگان
Markus Hütter, Pieter J. in 't Veld, Gregory C. Rutledge,