Effect of the angular potential on the temperature control in dissipative particle dynamics simulations |
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| Authors: | Yang Zhou Xin-ping Long Qing-xuan Zeng |
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| Institution: | 1. Institute of Chemical Materials, Chinese Academy of Engineering and Physics , Mianyang , 621900 , P.R. China;2. School of Mechanical and Electrical Engineering, Beijing Institute of Technology , Beijing , 100081 , P.R. China zhouy@caep.ac.cn;4. Chinese Academy of Engineering and Physics , Mianyang , 621900 , P.R. China;5. School of Mechanical and Electrical Engineering, Beijing Institute of Technology , Beijing , 100081 , P.R. China |
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| Abstract: | Angular potentials in dissipative particle dynamics (DPD) simulation can describe the rigidity of rod segments in the rod–coil block copolymers and cause system instability monitored by the kinetic temperature. We studied the influence of the bending constant of angular potentials on the temperature control of the DPD simulation system by our defined two parameters, deviation temperature δ T and standard deviation SD T . Small bending constants have no obvious influence on the temperature control. For the large bending constants, a relation of δ T = a? b Δt c is constructed. Based on this relation, we can give the appropriate parameters to balance the requirement of the temperature control and the rigid formation of rod-like blocks correctly. |
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| Keywords: | rod–coil angular potential temperature control DPD |
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