Dissipative Particle Dynamics with Energy Conservation Heat Conduction.pdfVIP

Dissipative Particle Dynamics with Energy Conservation: Heat Conduction Marisol Ripoll(1) ∗ , Pep Espa˜nol (1), and Matthieu H. Ernst(2) (1)Dep. F´ısica Fundamental, UNED, Apt. 60141, 28080 Madrid, Spain (2)Institute for Theoretical Physics, Utrecht University, Princetonplein 5, P.O. Box 80.006, 3508 TA Utrecht, The Netherlands 9 We study by means of numerical simulations the model of dissipative particle dynamics with 9 energy conservation for the simple case of thermal conduction. It is shown that the model displays 9 correct equilibrium fluctuations and reproduces Fourier law. The connection between “mesoscopic 1 coarse-graining” and “resolution” is clarified. b e F I. INTRODUCTION 9 ] Mesoscopic approaches to the study of complex fluids are receiving a great deal of attention in view of their potential h to address problems with disparate time-scales. The method of dissipative particle dynamics introduced originally as c an hybrid between lattice gas and molecular dynamics simulations [1], has proven to be a flexible and powerful tool in e the study of complex fluids as colloidal suspensions [2–4], porous flow [1], polymer suspensions [5], and multicomponent m flows [6]. t- DPD models a fluid as a collection of point particles that are interpreted as representing the center of mass a of a mesoscopic cluster of the atoms or molecules that constitute the fluid. By formulating physically motivated t s interactions (that is, dissipative forces that conserve momentum [1,7]) between these “lumps” of fluid, it is assured t. that the macroscopic behavior of the system is hy