Department of Biomedical Engineering and Mechanics, M/C 0219, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061, USA.
Phys Rev E. 2017 Jan;95(1-1):013302. doi: 10.1103/PhysRevE.95.013302. Epub 2017 Jan 10.
We identify the temperature being measured by a thermometer in a nonequilibrium scenario by studying heat conduction in a three-dimensional Lennard-Jones (LJ) system whose two ends are kept at different temperatures. It is accomplished by modeling the thermometer particles also with the LJ potential but with added tethers to prevent their rigid body motion. These models of the system and the thermometer mimic a real scenario in which a mechanical thermometer is "inserted" into a system and kept there long enough for the temperature to reach a steady value. The system is divided into five strips, and for each strip the temperature is measured using an embedded thermometer. Unlike previous works, these thermometers are small enough not to alter the steady state of the nonequilibrium system. After showing initial transients, the thermometers eventually show steady-state conditions with the subregions of the system and provide values of the different temperature definitions-kinetic, configurational, dynamical, and higher-order configurational. It is found that their kinetic and the configurational temperatures are close to the system's kinetic temperature except in the two thermostatted regions. In the thermostatted regions, where the system's kinetic and the configurational temperatures are significantly different, the thermometers register a temperature substantially different from either of these two values. With a decrease in the system density and size, these differences between the kinetic and the configurational temperatures of the thermometer become more pronounced.
我们通过研究两端处于不同温度的三维 Lennard-Jones(LJ)系统中的热传导来确定非平衡情况下温度计测量的温度。通过对温度计粒子也使用 LJ 势能建模,但添加了系绳以防止其刚体运动来实现这一点。系统和温度计的这些模型模拟了一个真实场景,在该场景中,机械温度计“插入”到系统中并保持足够长的时间,以使温度达到稳定值。系统被分成五个条带,对于每个条带,使用嵌入式温度计测量温度。与以前的工作不同,这些温度计足够小,不会改变非平衡系统的稳态。在显示初始瞬态后,温度计最终会与系统的子区域一起达到稳定状态,并提供不同温度定义——动力学、构型、动力学和高阶构型的温度值。结果发现,除了在两个恒温区之外,它们的动力学温度和构型温度与系统的动力学温度接近。在恒温区,系统的动力学温度和构型温度有很大差异,温度计记录的温度与这两个值都有很大不同。随着系统密度和尺寸的减小,温度计的动力学温度和构型温度之间的这些差异变得更加明显。