Energy-conserving dissipative particle dynamics with temperature-dependent properties

نویسندگان

  • Zhen Li
  • Yu-Hang Tang
  • Huan Lei
  • Bruce Caswell
  • George E. Karniadakis
چکیده

Article history: Received 29 August 2013 Received in revised form 10 December 2013 Accepted 3 February 2014 Available online 10 February 2014

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Consistent Temperature Coupling with Thermal Fluctuations of Smooth Particle Hydrodynamics and Molecular Dynamics

We propose a thermodynamically consistent and energy-conserving temperature coupling scheme between the atomistic and the continuum domain. The coupling scheme links the two domains using the DPDE (Dissipative Particle Dynamics at constant Energy) thermostat and is designed to handle strong temperature gradients across the atomistic/continuum domain interface. The fundamentally different defini...

متن کامل

2 3 A pr 1 99 8 Detailed balance and H - theorems for dissipative particle dynamics

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 these results for the statistical mechanics of the method are discussed.

متن کامل

Dissipative particle dynamics with energy conservation

– Dissipative particle dynamics (DPD) does not conserve energy and this precludes its use in the study of thermal processes in complex fluids. We present here a generalization of DPD that incorporates an internal energy and a temperature variable for each particle. The dissipation induced by the dissipative forces between particles is invested in raising the internal energy of the particles. Th...

متن کامل

Dissipative Particle Dynamics simulation hydrated Nafion EW 1200 as fuel cell membrane in nanoscopic scale

The microphase separation of hydrated perfluorinated sulfonic acid membrane Nafion was investigated using Dissipative Particle Dynamics (DPD). The nafion as a polymer was modelled by connecting coarse grained beads which corresponds to the hydrophobic backbone of polytetrafluoroethylene and perfluorinated side chains terminated by hydrophilic end particles of sulfonic acid groups [1, 2]. Each f...

متن کامل

Fokker - Planck - Boltzmann equation for dissipative particle dynamics

The algorithm for Dissipative Particle Dynamics (DPD), as modified by Español 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 fluid are explicitly calculated in terms of the system parameters for the continuous time version of the model.

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • J. Comput. Physics

دوره 265  شماره 

صفحات  -

تاریخ انتشار 2014