从互信息角度研究分子/纳米机器中基于信息传递的热功变换机制

项目名称： 从互信息角度研究分子/纳米机器中基于信息传递的热功变换机制

项目编号： No.21503048

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 数理科学和化学

项目作者： 周匀

作者单位： 贵州师范学院

项目金额： 21万元

中文摘要： 做功和信息处理是机器完成特定功能的基础。在分子/纳米机器中它们与环境热噪声紧密相关。研究做功、信息传递和发热在微观机器中相互作用的机理对降低电子器件能耗、从头设计纳米机器和向微观、非平衡领域推广热力学理论有重要意义。近年来的研究表明互信息是理解三者联系的关键。基于这一点本课题拟从互信息角度出发，借助非平衡统计力学、信息理论和数值方法研究分子/纳米机器利用信息克服环境噪声稳定工作的机理。具体到两点：１.利用严格的量子动力学数值方法（级联方程）和分子动力学方法计算分子/纳米机器在热环境中的互信息以及功、热等物理量，研究它们之间的定量关系。２.在过去提出的抽象热机模型基础上，从理论角度探索微观机器做功、发热和信息传递三者相互作用的普遍规律。本项目的完成将加深对一般微观机器（例如分子马达）工作原理的理解，为设计纳米/分子机器提供有效的理论支持。

中文关键词： 量子动力学；有限时间热力学；分子马达；纳米器件；麦克斯韦妖

英文摘要： Doing work and processing information are the bases of functionalities of machines. In molecular/nano devices, they are heavily influenced by the noisy environment. To study the mechanism of the interactions among work, information and heat in the working cycles of microscopic machines is important to reducing energy consumption of computing devices, ab initio designing of molecular/nano machines and generalizing classical thermodynamics to microscopic and non-equilibrium systems. Mutual information has recently become the key to the understanding of their interactions. We propose to employ non-equilibrium thermodynamics, information theory and numerical methods to study, from the perspective of mutual information, the mechanism that molecular/nano machines (may) utilize information to counteract their noisy environments. The plan entails to two aspects. 1. Using exact (microscopic) quantum dynamics method (hierarchical equations) and molecular dynamics to calculate mutual information as well as heat, work and other thermodynamic parameters, investigating their relations. 2. Based on our previous work of the abstract model of heat engines, studying theoretically the generic mechanism of interactions among work, heat and information transmission. The project will deepen the understanding of the thermodynamic rules governing the operation of general microscopic machines, e.g. molecular motors, and help to discover more immediate theory for designing molecular/nano machines.

英文关键词： quantum dynamics;finite-time thermodynamics;molecular motor;nano device;Maxwell's demon