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Hamiltonian dynamics of thermpstated systems: Two-temperature heat-conducting phi4 chains

机译:加温系统的哈密顿动力学:两温导热phi4链

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摘要

We consider and compare four Hamiltonian formulations of fhermostated mechanics,three of them kinetic,and the other one configurational.Though all four approaches "work" at equilibrium,their application to many-body nonequilibrium simulations can fail to provide a proper flow of heat.All the Hamiltonian formulations considered here are applied to the same prototypical two-temperature "phi4"model of a heat-conducting chain.This model incorporates nearest-neighbor Hooke's-Law interactions plus a quartic tethering potential.Physically correct results,obtained with the isokinetic Gaussian and Nose-Hoover thermostats,are compared with two other Hamiltonian results.The latter results,based on constrained Hamiltonian thermostats,fail to model correctly the flow of heat.
机译:我们考虑并比较了哈密顿力学的四种形式,其中三种是动力学的,另一种是构型的。尽管所有四种方法均在平衡下“起作用”,但它们在多体非平衡模拟中的应用可能无法提供适当的热量。此处考虑的所有哈密顿量公式均适用于导热链的同一原型两温“ phi4”模型。该模型结合了最邻近的胡克定律相互作用和四次束缚电势。将高斯恒温器和Nose-Hoover恒温器与其他两个汉密尔顿方法进行了比较。后者的结果基于受约束的汉密尔顿恒温器,无法正确地模拟热流。

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