title: Application of Berendsen barostat in dissipative particle dynamics for nonequilibrium dynamic simulation.
abstract: The Berendsen barostat from molecular dynamics simulation is applied in both standard dissipative particle dynamics (DPD) and many-body dissipative particle dynamics (MDPD) simulations. The original Berendsen barostat works well in (M)DPD simulation of a single-component system under constant pressure condition and in nonequilibrium dynamic processes. The partial Berendsen barostat is proposed for multi-component system simulation with (M)DPD. The displacement rescaling process of the Berendsen barostat is only applied on the particles outside the center region, acting as a pressure "boundary condition." The center part forms the free zone, in which the interface shape and nonequilibrium dynamic behavior between different phases can be captured properly. An immiscible bubble in the second fluid under constant pressure condition is studied, and the oscillation of the bubble radius and fluctuation of systempressure can be obtained by the current barostat. Preliminary models for bubble growing and collapsing under square pressure wave and bubble oscillation under harmonic pressure wave are also reported in the current simulation. It shows that the partial Berendsen barostat is suitable for the modeling of nonequilibrium process of single or few droplets/bubbles in multi-component systems.
authors.affiliation: State Key Laboratory of Fluid Power and Mechatronic Systems, Key Laboratory of Soft Machines and Smart Devices of Zhejiang Province, Department of Engineering Mechanics, Zhejiang University, Hangzhou 310027, China.
authors.forename: Yuqing
authors.initials: Y
authors.lastname: Lin
authors.affiliation: State Key Laboratory of Fluid Power and Mechatronic Systems, Key Laboratory of Soft Machines and Smart Devices of Zhejiang Province, Department of Engineering Mechanics, Zhejiang University, Hangzhou 310027, China.
authors.forename: Dingyi
authors.identifier: 0000000248042942
authors.initials: D
authors.lastname: Pan
authors.affiliation: State Key Laboratory of Fluid Power and Mechatronic Systems, Key Laboratory of Soft Machines and Smart Devices of Zhejiang Province, Department of Engineering Mechanics, Zhejiang University, Hangzhou 310027, China.
authors.forename: Jiaming
authors.initials: J
authors.lastname: Li
authors.affiliation: State Key Laboratory of Fluid Power and Mechatronic Systems, Key Laboratory of Soft Machines and Smart Devices of Zhejiang Province, Department of Engineering Mechanics, Zhejiang University, Hangzhou 310027, China.
authors.forename: Lingxin
authors.initials: L
authors.lastname: Zhang
authors.affiliation: State Key Laboratory of Fluid Power and Mechatronic Systems, Key Laboratory of Soft Machines and Smart Devices of Zhejiang Province, Department of Engineering Mechanics, Zhejiang University, Hangzhou 310027, China.
authors.forename: Xueming
authors.initials: X
authors.lastname: Shao