Temperature Error Reduction of DPD Fluid by Using Partitioned Runge-Kutta Time Integration Scheme
Graduate School of Engineering, Nagoya Institute of Technology, Gokisocho, Showa-ku, Nagoya 466-8555, Japan
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Fluids 2019, 4(3), 156; https://doi.org/10.3390/fluids4030156
Received: 26 June 2019 / Revised: 8 August 2019 / Accepted: 15 August 2019 / Published: 17 August 2019
(This article belongs to the Special Issue Coupled Flow and Heat or Mass Transport)
This study puts emphasis on reducing the temperature error of dissipative particle dynamics (DPD) fluid by directly applying a minimal-stage third-order partitioned Runge-Kutta (PRK3) method to the time integration, which does not include any of additional governing equations and change in the DPD thermostat formulation. The error is estimated based on the average values of both kinetic and configurational temperatures. The result shows that the errors in both temperatures errors are greatly reduced by using the PRK3 scheme as comparing them to those of previous studies. Additionally, the comparison among three different PRK3 schemes demonstrates our recent findings that the symplecticity conservation of the system is important to reduce the temperature error of DPD fluid especially for large time increments. The computational efficiencies are also estimated for the PRK3 scheme as well as the existing ones. It was found from the estimation that the simulation using the PRK3 scheme is more than twice as efficient as those using the existing ones. Finally, the roles of both kinetic and configurational temperatures as error indicators are discussed by comparing them to the velocity autocorrelation function and the radial distribution function. It was found that the errors of these temperatures involve different characteristics, and thus both temperatures should be taken into account to comprehensively evaluate the numerical error of DPD.
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Keywords:
dissipative particle dynamics; time integration scheme; temperature error; partitioned Runge-Kutta method; kinetic temperature; configurational temperature
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MDPI and ACS Style
Yamada, T.; Itoh, S.; Morinishi, Y.; Tamano, S. Temperature Error Reduction of DPD Fluid by Using Partitioned Runge-Kutta Time Integration Scheme. Fluids 2019, 4, 156. https://doi.org/10.3390/fluids4030156
AMA Style
Yamada T, Itoh S, Morinishi Y, Tamano S. Temperature Error Reduction of DPD Fluid by Using Partitioned Runge-Kutta Time Integration Scheme. Fluids. 2019; 4(3):156. https://doi.org/10.3390/fluids4030156
Chicago/Turabian StyleYamada, Toru, Shugo Itoh, Yohei Morinishi, and Shinji Tamano. 2019. "Temperature Error Reduction of DPD Fluid by Using Partitioned Runge-Kutta Time Integration Scheme" Fluids 4, no. 3: 156. https://doi.org/10.3390/fluids4030156
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