Wang Xipeng, Dobnikar Jure, Frenkel Daan
Key Laboratory of Soft Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.
Key Laboratory of Soft Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China, and Songshan Lake Materials Laboratory, Dongguan, Guangdong 523808, China.
Phys Rev Lett. 2022 Dec 2;129(23):238002. doi: 10.1103/PhysRevLett.129.238002.
The Onsager reciprocity relations were formulated in the context of irreversible thermodynamics, but they are based on assumptions that have a wider applicability. Here, we present simulations testing the Onsager relations between surface-coupled diffusive and bulk fluxes in a system prepared in a nonequilibrium steady state. The system consists of a mixture of two identical species maintained at different temperatures inside a channel. In order to tune the friction of the two species with the walls independently, while keeping the particle-wall interaction potentials the same, we allow the kinematics of particle-wall collisions to be different: "bounce-back" (B) or "specular" (S). In the BB case, diffusio-capillary transport can only take place if the two species have different temperatures. We find that the Onsager reciprocity relations are obeyed in the linear regime, even in the BB case where all fluxes are the result of perturbing the system from a nonequilibrium steady state in a way that does not satisfy time-reversal symmetry. Our Letter provides a direct, numerical illustration of the validity of the Onsager relations outside their original range of application, and suggests their relevance for transport in driven or active systems.
昂萨格互易关系是在不可逆热力学的背景下提出的,但它们基于具有更广泛适用性的假设。在此,我们展示了在非平衡稳态下制备的系统中,测试表面耦合扩散通量与体通量之间昂萨格关系的模拟。该系统由在通道内保持不同温度的两种相同物质的混合物组成。为了在保持粒子 - 壁相互作用势相同的情况下,独立调节两种物质与壁的摩擦力,我们允许粒子 - 壁碰撞的运动学不同:“反弹”(B)或“镜面反射”(S)。在BB情况下,只有当两种物质具有不同温度时,扩散 - 毛细管输运才能发生。我们发现,即使在BB情况下所有通量都是以不满足时间反演对称性的方式从非平衡稳态扰动系统的结果,昂萨格互易关系在线性区域仍然成立。我们的论文为昂萨格关系在其原始应用范围之外的有效性提供了直接的数值例证,并表明它们与驱动或活性系统中的输运相关。