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Notes on configurational thermostat schemes

机译:有关配置恒温器方案的说明

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A series papers was published in the Journal of Chemical Physics where a team of researchers proposed a NoséHoover type thermostat based on a configurational definition of temperature. The proposed a NoséHoover type thermostat removed difficulties associated with the earlier Delhomelle Evans approach. The researchers considered the configurational thermostat scheme proposed in the principal paper as a starting point and presented their own configurational temperature thermostat as a development of the SDC scheme. It was shown that the the configurational temperature thermostat was a particular case of the SDC scheme. It was also demonstrated the way the particular case benefited from the general method in a variety of aspects including the physical context, a stochastic counterpart thermostat and ergodicity issues.
机译:在《化学物理学》杂志上发表了系列论文,其中一组研究人员根据温度的构型定义提出了NoséHoover型恒温器。提议的NoséHoover型恒温器消除了与早期Delhomelle Evans方法相关的困难。研究人员将主要论文中提出的配置式恒温器方案作为起点,并提出了他们自己的配置式恒温器方案,作为SDC方案的发展。结果表明,配置温度恒温器是SDC方案的特例。它还在各种方面(包括物理环境,随机对应的恒温器和遍历性问题)证明了特定案例从通用方法中受益的方式。

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