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تسجيل مستخدم جديدPerspective: Dissipative Particle Dynamics
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Dissipative particle dynamics (DPD) belongs to a class of models and computational algorithms developed to address mesoscale problems in complex fluids and soft matter in general. It is based on the notion of particles that represent coarse-grained portions of the system under study and allow, therefore, to reach time and length scales that would be otherwise unreachable from microscopic simulations. The method has been conceptually refined since its introduction almost twenty five years ago. This perspective surveys the major conceptual improvements in the original DPD model, along with its microscopic foundation, and discusses outstanding challenges in the field. We summarize some recent advances and suggests avenues for future developments.
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An extension of the H-theorem for dissipative particle dynamics (DPD) to the case of a multi-component fluid is made. Detailed balance and an additional H-theorem are proved for an energy-conserving version of the DPD algorithm. The implications of t
hese results for the statistical mechanics of the method are discussed.
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ize of the mesoparticles, both at equilibrium and out of equilibrium. We also propose a reformulation of the SDPD equations in terms of energy variables. This increases the similarities with Dissipative Particle Dynamics with Energy conservation and opens the way for a coupling between the two methods. Finally, we present a numerical scheme for SDPD that ensures the conservation of the invariants of the dynamics. Numerical simulations illustrate this approach.
The algorithm for the DPD fluid, the dynamics of which is conceptually a combination of molecular dynamics, Brownian dynamics and lattice gas automata, is designed for simulating rheological properties of complex fluids on hydrodynamic time scales. T
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The algorithm for Dissipative Particle Dynamics (DPD), as modified by Espagnol and Warren, is used as a starting point for proving an H-theorem for the free energy and deriving hydrodynamic equations. Equilibrium and transport properties of the DPD f
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This article presents a new numerical scheme for the discretization of dissipative particle dynamics with conserved energy. The key idea is to reduce elementary pairwise stochastic dynamics (either fluctuation/dissipation or thermal conduction) to ef
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