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Published on: January 24, 2020
Refined energy-conserving dissipative particle dynamics model with temperature-dependent properties and its
K C Ng1, T W H Sheu2
1National Center for Theoretical Sciences (NCTS), National Taiwan University, Taipei, Taiwan and Department of Mechanical Engineering, Universiti Tenaga Nasional, Jalan IKRAM-UNITEN, 43000 Kajang, Selangor, Malaysia.
This study presents a new method to model fluid properties like Schmidt number (Sc) and Prandtl number (Pr) in energy-conserving dissipative particle dynamics (eDPD) simulations. The approach improves solidification simulations by introducing "mushy" particles and handling boundary conditions effectively.
Area of Science:
- Computational physics
- Fluid dynamics
- Materials science
Background:
- Previous energy-conserving dissipative particle dynamics (eDPD) models reproduced Schmidt number (Sc) and Prandtl number (Pr) using temperature-dependent weight functions.
- A need exists for a systematic method to develop these weight functions for accurate physical fluid property reproduction.
Purpose of the Study:
- To propose a simple and systematic method for developing temperature-dependent weight functions in eDPD.
- To enhance the simulation of phase-change problems, specifically solidification.
- To improve the accuracy of capturing temperature profiles near solid-liquid interfaces.
Main Methods:
- Developed a systematic method to create temperature-dependent weight functions for eDPD.
- Introduced the concept of "mushy" eDPD particles to better represent the solid-liquid interface.
- Implemented a method for constant temperature boundary conditions at walls.
Main Results:
- The proposed method successfully reproduced physical fluid properties.
- Simulations of one- and two-dimensional solidification problems showed promising agreement with analytical solutions and experimental data.
- The "mushy" particle concept improved temperature profile capture, especially with high thermal conductivity ratios.
Conclusions:
- The developed method offers a robust approach for modeling fluid properties in eDPD.
- The enhanced eDPD model accurately simulates solidification processes, including complex interface phenomena.
- This work provides a valuable tool for studying phase-change phenomena in various scientific and engineering applications.
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