Trajectory Entropy of Continuous Stochastic Processes at Equilibrium
Trajectory Entropy of Continuous Stochastic Processes at Equilibrium
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DOI：
10.1021/jz500111p
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发表时间：
2014-03-20
影响因子：
5.7
通讯作者：
Chu, Jhih-Wei
中科院分区：
文献类型：
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作者：
Haas, Kevin R.;Yang, Haw;Chu, Jhih-Wei
我们建议将动态系统的轨迹熵量化为超过自由扩散参考模型的信息内容。时空轨迹现在是动态变量，其路径概率由Onsager-Machlup作用量给出。对于过阻尼Langevin方程的时间传播，我们在连续极限下求解了作用路径积分，并得到了一个精确的解析表达式，该表达式是确定性平均力和随机扩散的简单泛函。这项工作可能有直接的影响，在化学和相平衡，键异构化，和构象变化的生物大分子以及一般的运输问题。
We propose to quantify the trajectory entropy of a dynamic system as the information content in excess of a free-diffusion reference model. The space time trajectory is now the dynamic variable, and its path probability is given by the Onsager-Machlup action. For the time propagation of the overdamped Langevin equation, we solved the action path integral in the continuum limit and arrived at an exact analytical expression that emerged as a simple functional of the deterministic mean force and the stochastic diffusion. This work may have direct implications in chemical and phase equilibria, bond isomerization, and conformational changes in biological macromolecules as well transport problems in general.