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Molecular dynamics on nonequilibrium motion of a colloidal particle driven by an external torque

机译:由外部扭矩驱动的胶体颗粒的非醌运动的分子动力学

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We investigate the motion of a colloidal particle driven out of equilibrium by an external torque. We use molecular dynamics simulation as an alternative to the Langevin dynamics. We prepare a heat bath composed of thousands of particles interacting with each other through the Lennard-Jones potential and impose the Langevin thermostat to maintain the heat bath in equilibrium. We consider a single colloidal particle interacting with with the particles of the heat bath also by the Lennard-Jones potential, without applying any types of dissipative or fluctuating forces used in Langevin dynamics. We set up simulation protocol fit for the overdamped limit as in real experiments, by increasing the size and mass of the colloidal particle. We study nonequilibrium fluctuations for work and heat produced incessantly in time and compare the results with those obtained from the previous studies via the overdamped Langevin dynamics. We confirm the Gallavotti-Cohen symmetry and the fluctuation theorem.
机译:我们研究了胶体颗粒通过外部扭矩驱动的胶体颗粒的运动。我们使用分子动力学模拟作为Langevin动态的替代品。我们制备由Lennard-Jones潜力彼此相互作用的成千上万的颗粒组成的热浴,并施加Langevin恒温器以将热浴保持在平衡。我们认为单个胶体颗粒也通过Lennard-Jones潜力与热浴的颗粒相互作用,而不应用Langevin动力学中使用的任何类型的耗散或波动力。我们通过增加胶体颗粒的尺寸和质量,设置仿真协议适合于实际实验中的过度限制。我们研究了不断生产的工作和热量的不断波动,并将结果与​​通过覆盖的Langevin Dynamics从以前的研究获得的结果进行比较。我们确认了Gallavotti-Cohen对称性和波动定理。

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