论文标题
通过表面加热在亲水性纳米通道中气泡成核的分子动力学模拟
Molecular Dynamics Simulation of Bubble Nucleation in Hydrophilic Nanochannels by Surface Heating
论文作者
论文摘要
使用分子动力学模拟研究了在纳米通道中限制的液体中的气泡成核，并与光滑的液体中的成核进行比较（即无限制）。成核是通过使用在灯泡中实现的地表到液体加热算法将表面的一部分加热到高温来实现的。纳米通道的表面亲水性增加以了解其对成核行为的影响。发现液体结构在改变纳米通道中密度和压力的热力学特性中起着重要作用，从而改变了汽化的焓。纳米通道中的表面亲水性增加会导致形成气泡的延迟，因为成核需要更多的能量。因此，亲水性纳米通道中的气泡成核可以散发较高的热通量，并有可能用于电力电子中热点的热管理。
Bubble nucleation in liquid confined in nanochannel is studied using molecular dynamics simulations and compared against nucleation in the liquid over smooth (i.e. without confinement). Nucleation is achieved by heating part of a surface to high temperatures using a surface-to-liquid heating algorithm implemented in LAMMPS. The surface hydrophilicity of nanochannels is increased to understand its effect on nucleation behavior. Liquid structuring is found to play a significant role in altering thermodynamic properties of density and pressure in the nanochannels, which in turn changes the enthalpy of vaporization. Increased surface hydrophilicity in nanochannels results in the delay of bubble formation as more energy is required for nucleation. Thus, bubble nucleation in hydrophilic nanochannels can dissipate higher heat fluxes and can potentially be used towards the thermal management of hot spots in power electronics.
