The Jarzynski relation, as an equality form of the second law of thermodynamics, represents an exact thermodynamic statement that is valid arbitrarily far away from equilibrium. This remarkable relation directly links the equilibrium free energy difference between two states and the probability distribution of the work done along a process that drives the system from one state to the other. Here, we leverage the Jarzynski equality and a local equilibrium assumption, to go beyond the calculation of free energy differences and also extract the dissipation potential from additional measurements of kinematic field variables (strain and velocity fields). The proposed strategy is exemplified over pulling experiments of mass–spring models obeying overdamped Langevin dynamics, which is a prototype for nanorods, fibrous macro-molecules and the Rouse model of polymers. Different interaction potentials, fluid viscosities and bath temperatures are studied, so as to intrinsically control how close or far away the system is from equilibrium. The data-inferred continuum models are then validated against processes governed by different pulling protocols, thereby demonstrating their predictive capability. The methods presented here represent a first step toward full material characterization from non-equilibrium data of macroscopic observables, which could potentially be obtained from experimental observations.

Jarzynski 关系，作为热力学第二定律的等式形式，代表了一个精确的热力学陈述，它在任意远离平衡的地方都是有效的。这种显着的关系直接将两种状态之间的平衡自由能差与沿着将系统从一种状态驱动到另一种状态的过程所做的功的概率分布联系起来。在这里，我们利用 Jarzynski 等式和局部平衡假设来超越自由能差的计算，并从运动场变量（应变和速度场）的额外测量中提取耗散势。所提出的策略以服从过阻尼朗之万动力学的质量弹簧模型的拉动实验为例，这是纳米棒的原型，纤维状大分子和聚合物的劳斯模型。研究了不同的相互作用势、流体粘度和浴温，以从本质上控制系统离平衡多近或多远。然后根据不同拉取协议管理的流程验证数据推断的连续模型，从而证明它们的预测能力。这里介绍的方法代表了从宏观可观察物的非平衡数据中进行全面材料表征的第一步，这些数据有可能从实验观察中获得。然后根据不同拉取协议管理的流程验证数据推断的连续模型，从而证明它们的预测能力。这里介绍的方法代表了从宏观可观察物的非平衡数据中全面表征材料的第一步，这些数据有可能从实验观察中获得。然后根据不同拉取协议管理的流程验证数据推断的连续模型，从而证明它们的预测能力。这里介绍的方法代表了从宏观可观察物的非平衡数据中全面表征材料的第一步，这些数据有可能从实验观察中获得。