论文标题
恒定外部磁场中耗散系统的波动关系：理论和分子动力学模拟
Fluctuation relations for dissipative systems in constant external magnetic field: theory and molecular dynamics simulations
论文作者
论文摘要
最近指出的是，恒定磁场中的哈密顿粒子系统满足了广义的时间反转对称性，从而可以证明基于平衡相位空间概率分布的有用的统计关系，而无需像通常认为必要的那样反转，磁场。在这些关系中，无需进行卡西米尔修改的关系，人们找到了标准的线性响应绿色 - 库波关系，因此找到了Onsager的相互关系。也可以超越线性响应，例如在瞬态和稳态波动关系（FRS）方面。在这里，我们强调了广义的时间反转对称性如何确保（瞬态）FRS理论也直接适用于外部磁场中的系统。此外，我们表明确实可以在非平衡分子动力学模拟中验证瞬态FR，即受到磁场和电场的系统，这些系统是恒温的。结果是不平凡的，因为由于不是立即的大小和时间尺寸，因此效果实际上是可以观察到的，因此通过真实分子动力学模拟可以获得的效果并不明显。
It has recently been pointed out that Hamiltonian particle systems in constant magnetic fields satisfy generalized time-reversal symmetries that enable to prove useful statistical relationships based on equilibrium phase-space probability distributions without the need to invert, as commonly considered necessary, the magnetic field. Among these relations, that hold without need of Casimir modifications, one finds the standard linear response Green-Kubo relations, and consequently the Onsager reciprocal relations. Going beyond linear response is also possible, for instance in terms of transient and steady state Fluctuation Relations (FRs). Here we highlight how the generalized time-reversal symmetries ensure that the (transient) FRs theory directly applies also for systems in external magnetic fields. Furthermore we show that transient FR can indeed be verified in nonequilibrium molecular dynamics simulations, for systems subjected to magnetic and electric fields, which are thermostatted à la Nosé-Hoover. The result is nontrivial because, since it is not immediate within which sizes and time scales the effects can actually be observable, it is not obvious what one may obtain by real molecular dynamics simulations.
