Department of Chemical and Biological Engineering, State University of New York at Buffalo, Buffalo, New York 14260, USA.
J Chem Phys. 2009 Nov 14;131(18):184707. doi: 10.1063/1.3259563.
The phenomenon of symmetry breaking (SB) of the fluid density distribution in a slit between parallel identical solid walls examined previously for a classical fluid (argon) [G. O. Berim and E. Ruckenstein, J. Chem. Phys. 126, 124503 (2007)] is examined for a quantum fluid ((4)He) on the basis of a nonlocal density functional theory. The Lennard-Jones potential was employed for the fluid-fluid and fluid-solid interactions. Regarding the latter interaction potential, it was supposed that each wall generates a hard core repulsion at some distance h(r) from the wall. In addition, the Chizmeshya-Cole-Zaremba (CCZ) potential was considered for the fluid-solid interactions. SB was found at all considered temperatures (0 K < or = T < or = 3.0 K) in ranges of average densities of the fluid which decreased, as for classical fluids, with increasing temperature. It was concluded that the existence of SB does not depend on the value of the parameter h(r), whereas, for classical fluids, SB did not occur when h(r) became smaller than a critical value, h(r,c). For the CCZ potential, the asymmetric (symmetry breaking) density profile can be metastable, whereas for the Lennard-Jones potential when an asymmetric density profile occurred it was always stable (had a smaller free energy than the symmetric profile). No effect of the (4)He transition from nonsuperfluid to superfluid state was detected.
先前曾对经典流体(氩气)[G. O. Berim 和 E. Ruckenstein,J. Chem. Phys. 126, 124503 (2007)]在平行相同固体壁之间的狭缝中流体密度分布的对称破缺(SB)现象进行了研究,本研究基于非局部密度泛函理论对量子流体((4)He)进行了研究。对于流体-流体和流体-固体相互作用,采用了 Lennard-Jones 势。对于后者的相互作用势,假设每个壁在距离壁的某个距离 h(r)处产生硬核心排斥。此外,还考虑了 Chizmeshya-Cole-Zaremba(CCZ)势用于流体-固体相互作用。在所有考虑的温度(0 K <= T <= 3.0 K)范围内,在流体的平均密度减小的范围内发现了 SB,与经典流体一样,随着温度的升高,SB 减小。得出的结论是,SB 的存在不取决于参数 h(r)的值,而对于经典流体,当 h(r)变得小于临界值 h(r,c)时,SB 不会发生。对于 CCZ 势,不对称(对称破缺)密度分布可以是亚稳的,而对于 Lennard-Jones 势,当出现不对称密度分布时,它总是稳定的(具有比对称分布更小的自由能)。未检测到(4)He 从不超流态到超流态的转变的影响。