Smoothed Dissipative Particle Dynamics for Mesoscale Advection-Diffusion-Reaction Problems
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866918164751712256 |
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| author | Ferrero, Marina Echeverria Moreno, Nicolas Ellero, Marco |
| author_facet | Ferrero, Marina Echeverria Moreno, Nicolas Ellero, Marco |
| contents | Smoothed dissipative particle dynamics (SDPD) is a widely used particle-based method for modelling soft matter systems at mesoscopic and macroscopic scales, offering thermodynamic consistency and direct control over the fluid's transport properties. Here, we present an SDPD model that incorporates the transport of reactants on scales smaller than the discretising particles, including the evolution of compositional fields. The proposed methodology is well-suited for modelling complex systems governed by advection-diffusion-reaction (ADR) dynamics. Implemented in LAMMPS, the model is validated using a range of benchmark problems spanning diffusion-dominated, reaction-dominated, and coupled ADR regimes. Our simulation results demonstrate that the implemented SDPD model effectively captures complex behaviours, such as Turing pattern formation. The proposed model holds promise for applications across various fields, including biology, chemistry, materials science, and environmental engineering. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2510_18458 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Smoothed Dissipative Particle Dynamics for Mesoscale Advection-Diffusion-Reaction Problems Ferrero, Marina Echeverria Moreno, Nicolas Ellero, Marco Fluid Dynamics Computational Physics Smoothed dissipative particle dynamics (SDPD) is a widely used particle-based method for modelling soft matter systems at mesoscopic and macroscopic scales, offering thermodynamic consistency and direct control over the fluid's transport properties. Here, we present an SDPD model that incorporates the transport of reactants on scales smaller than the discretising particles, including the evolution of compositional fields. The proposed methodology is well-suited for modelling complex systems governed by advection-diffusion-reaction (ADR) dynamics. Implemented in LAMMPS, the model is validated using a range of benchmark problems spanning diffusion-dominated, reaction-dominated, and coupled ADR regimes. Our simulation results demonstrate that the implemented SDPD model effectively captures complex behaviours, such as Turing pattern formation. The proposed model holds promise for applications across various fields, including biology, chemistry, materials science, and environmental engineering. |
| title | Smoothed Dissipative Particle Dynamics for Mesoscale Advection-Diffusion-Reaction Problems |
| topic | Fluid Dynamics Computational Physics |
| url | https://arxiv.org/abs/2510.18458 |