随机恒温器:局部和全局方案的比较
Stochastic thermostats: comparison of local and global schemes
摘要:
我们表明,最近推出的随机恒温器[J. Chem. Phys. 126(2007)014101]可以被认为是一个全球版本的朗之万恒温器。我们比较了全球计划和当地的一个(朗之万)从正式的角度来看,并通过实际计算模型Lennard-Jones液体。在与本地计划的差异,全球恒温器保留了广泛的耦合参数的动态特性,并允许更快的相空间采样。
英文摘要:
We show that a recently introduced stochastic thermostat [J. Chem. Phys. 126 (2007) 014101] can be considered as a global version of the Langevin thermostat. We compare the global scheme and the local one (Langevin) from a formal point of view and through practical calculations on a model Lennard-Jones liquid. At variance with the local scheme, the global thermostat preserves the dynamical properties for a wide range of coupling parameters, and allows for a faster sampling of the phase-space.
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