Size consistency in smoothed dissipative particle dynamics.
Gérôme Faure1, Jean-Bernard Maillet1, Julien Roussel2
1CEA, DAM, DIF, F-91297 Arpajon, France.
Physical Review. E
|November 15, 2016
Summary
Smoothed dissipative particle dynamics (SDPD) simulations were analyzed for thermodynamic consistency across different mesoparticle sizes. A new energy-based SDPD formulation was proposed, enhancing method coupling and ensuring dynamic invariant conservation.
Area of Science:
- Computational fluid dynamics
- Mesoscopic simulation methods
- Thermodynamics
Background:
- Smoothed dissipative particle dynamics (SDPD) offers tunable resolution for fluid simulations.
- Understanding thermodynamic property consistency is crucial for mesoscopic models.
- Existing methods may lack flexibility in coupling and conservation properties.
Purpose of the Study:
- To investigate the thermodynamic consistency of SDPD across varying mesoparticle sizes.
- To develop an energy-variable formulation of SDPD for improved method integration.
- To introduce a numerical scheme guaranteeing the conservation of dynamic invariants in SDPD.
Main Methods:
- Analysis of thermodynamic properties (equilibrium and non-equilibrium) as a function of mesoparticle size.
- Reformulation of SDPD equations using energy variables.
- Development and application of a numerical scheme for invariant conservation.
Main Results:
- Thermodynamic property consistency was evaluated with respect to mesoparticle size.
- A novel energy-based SDPD formulation was successfully proposed.
- A numerical scheme ensuring conservation of dynamic invariants was presented and illustrated.
Conclusions:
- SDPD's thermodynamic consistency is dependent on mesoparticle size.
- The energy-variable reformulation facilitates coupling with energy-conserving dissipative particle dynamics.
- The proposed numerical scheme enhances the robustness and accuracy of SDPD simulations.
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