The Rayleigh-Lowe-Andersen thermostat is a momentum-conserving, Galilean-invariant analogue of the Andersen thermostat, like the original (Maxwellian) Lowe-Andersen thermostat. However, the Rayleigh-Lowe-Andersen thermostat remains local even if the fluid density becomes low. By using a minimized thermostat interaction radius we show with a molecular dynamics simulation that the Rayleigh-Lowe-Andersen thermostat affects the natural dynamics of a low-density Lennard-Jones fluid in a minimal fashion. We also show that it is no longer necessary to consider a separate simulation just to determine the optimal value of the thermostat interaction radius. Instead, this value is computed directly during the main simulation run. Because the Rayleigh-Lowe-Andersen thermostat can be combined with the velocity Verlet integration scheme, we expect a widespread applicability of the thermal mechanism presented here.

中文翻译：

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Rayleigh-Lowe-Andersen 恒温器在软球分子动力学模拟中的优势。

Rayleigh-Lowe-Andersen 恒温器是 Andersen 恒温器的动量守恒、伽利略不变模拟物，就像原来的（麦克斯韦）Lowe-Andersen 恒温器一样。然而，即使流体密度变低，Rayleigh-Lowe-Andersen 恒温器仍保持局部。通过使用最小化的恒温器相互作用半径，我们通过分子动力学模拟表明，Rayleigh-Lowe-Andersen 恒温器以最小的方式影响低密度 Lennard-Jones 流体的自然动力学。我们还表明，不再需要考虑单独的模拟来确定恒温器相互作用半径的最佳值。相反，该值是在主模拟运行期间直接计算的。因为 Rayleigh-Lowe-Andersen 恒温器可以与速度 Verlet 积分方案相结合，