کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
802809 1467473 2014 15 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Stochastic predictions of bulk properties of amorphous polyethylene based on molecular dynamics simulations
ترجمه فارسی عنوان
پیش بینی های احتمالی خواص فله پلی اتیلن آمورف بر اساس شبیه سازی های پویایی مولکولی
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مهندسی مکانیک
چکیده انگلیسی


• MD simulations to study key parameters of material properties of glassy polyethylene.
• SA methods to quantify the influence of uncertain input parameters.
• Key parameters found as temperature and strain rate.

The effect of the chain length, the temperature and the strain rate on the yield stress and the elastic modulus of glassy polyethylene is systematically studied using united-atom molecular dynamics (MD) simulations. Based on our MD results, a sensitivity analysis (SA) is carried out in order to quantify the influence of the uncertain input parameters on the predicted yield stress and elastic modulus. The SA is based on response surface (RS) models (polynomial regression and moving least squares). We use partial derivatives (local SA) and variance-based methods (global SA) where we compute first-order and total sensitivity indices. In addition, we use the elementary effects method on the mechanical model. All stochastic methods predict that the key parameter influencing the yield stress and elastic modulus is the temperature, followed by the strain rate.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Mechanics of Materials - Volume 68, January 2014, Pages 70–84
نویسندگان
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