Abstract
The thermodynamic and structural properties of two-dimensional dense Yukawa liquids are studied with molecular dynamics simulations. The "exact" thermodynamic properties are simultaneously employed in an advanced scheme for the determination of an equation of state that shows an unprecedented level of accuracy for the internal energy, pressure, and isothermal compressibility. The "exact" structural properties are utilized to formulate a novel empirical correction to the hypernetted-chain approach that leads to a very high accuracy level in terms of static correlations and thermodynamics.
Highlights
The two-dimensional Yukawa one-component plasma (2DYOCP) consists of charged point particles that are confined on a two-dimensional surface and are immersed in a polarizable neutralizing background with their interactions described by the Yukawa pair potential φ(r) = (Q2/r) exp(−r/λ)
The structural and thermodynamic properties of dense twodimensional Yukawa liquids were extensively investigated with molecular dynamics simulations
The “exact” thermodynamic properties were employed to construct a new equation of state for the excess internal energy valid in the parameter regime most relevant for contemporary experiments
Summary
This work focuses on two issues which are still not fully resolved for 2D-YOCP liquids: (i) the acquisition of an accurate equation of state through the reduced excess internal energy that can be employed to accurately estimate other thermodynamic properties over the entire range of screening parameters relevant to experimental realizations of Yukawa systems, (ii) the development of an accurate integral equation theory approach that would allow for the reliable computation of structural properties without necessarily resorting to computer simulations. To address the first issue, systematic molecular dynamics simulations are carried out in the entire 2D-YOCP liquid regime that are utilized for direct extraction of the internal energy, pressure, and inverse isothermal compressibility. To address the second issue, systematic long molecular dynamics simulations are performed in the entire 2D-YOCP liquid regime that are employed for the direct extraction of the radial distribution function and its characteristic functional features.
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