Energy-Stable Numerical Schemes for Multiscale Simulations of Polymer–Solvent Mixtures

التفاصيل البيبلوغرافية
العنوان: Energy-Stable Numerical Schemes for Multiscale Simulations of Polymer–Solvent Mixtures
المؤلفون: Nikita Tretyakov, Paul Strasser, Burkhard Dünweg, Maria Lukacova-Medvidova
المصدر: Mathematical Analysis of Continuum Mechanics and Industrial Applications II ISBN: 9789811062827
بيانات النشر: Springer Singapore, 2017.
سنة النشر: 2017
مصطلحات موضوعية: Molecular dynamics, Partial differential equation, Materials science, Finite volume method, Discretization, Physical system, Dissipative system, Finite difference method, Lattice Boltzmann methods, Statistical physics
الوصف: We present a new second-order energy dissipative numerical scheme to treat macroscopic equations aiming at the modeling of the dynamics of complex polymer–solvent mixtures. These partial differential equations are the Cahn-Hilliard equation for diffuse interface phase fields and the Oldroyd-B equations for the hydrodynamics of the polymeric mixture. A second-order combined finite volume/finite difference method is applied for the spatial discretization. A complementary approach to study the same physical system is realized by simulations of a microscopic model based on a hybrid Lattice Boltzmann/Molecular Dynamics scheme. These latter simulations provide initial conditions for the numerical solution of the macroscopic equations. This procedure is intended as a first step toward the development of a multiscale method that aims at combining the two models.
ردمك: 978-981-10-6282-7
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::fa9ae1b08c564e866db277409065683c
https://doi.org/10.1007/978-981-10-6283-4_13
حقوق: CLOSED
رقم الأكسشن: edsair.doi...........fa9ae1b08c564e866db277409065683c
قاعدة البيانات: OpenAIRE