Bauman Moscow State Technical University, 2nd Baumanskaya Str. 5, 105005 Moscow, Russia.
CNRS, PIIM, Aix Marseille University, Marseille, France; Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), Oberpfaffenhofen, Germany; and Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow, Russia.
J Chem Phys. 2017 Apr 7;146(13):134702. doi: 10.1063/1.4979325.
Thermodynamics of two-dimensional Yukawa (screened Coulomb or Debye-Hückel) systems is studied systematically using molecular dynamics (MD) simulations. Simulations cover very broad parameter range spanning from weakly coupled gaseous states to strongly coupled fluid and crystalline states. Important thermodynamic quantities, such as internal energy and pressure, are obtained and accurate physically motivated fits are proposed. This allows us to put forward simple practical expressions to describe thermodynamic properties of two-dimensional Yukawa systems. For crystals, in addition to numerical simulations, the recently developed shortest-graph interpolation method is applied to describe pair correlations and hence thermodynamic properties. It is shown that the finite-temperature effects can be accounted for by using simple correction of peaks in the pair correlation function. The corresponding correction coefficients are evaluated using MD simulation. The relevance of the obtained results in the context of colloidal systems, complex (dusty) plasmas, and ions absorbed to interfaces in electrolytes is pointed out.
使用分子动力学（MD）模拟系统地研究了二维 Yukawa（屏蔽库仑或德拜-休克尔）系统的热力学。模拟涵盖了非常广泛的参数范围，从弱耦合的气态状态到强耦合的流体和晶体状态。获得了重要的热力学量，如内能和压力，并提出了准确的物理动机拟合。这使我们能够提出简单实用的表达式来描述二维 Yukawa 系统的热力学性质。对于晶体，除了数值模拟外，还应用了最近开发的最短图插值方法来描述对关联，从而描述热力学性质。结果表明，可以通过简单地修正对关联函数中的峰来考虑有限温度效应。使用 MD 模拟评估了相应的修正系数。指出了在胶体系统、复杂（尘埃）等离子体以及电解质中吸附到界面的离子的背景下，获得的结果的相关性。
