Testing the isomorph invariance of the bridge functions of Yukawa one-component plasmas

被引:19
作者
Castello, F. Lucco [1 ]
Tolias, P. [1 ]
Dyre, J. C. [2 ]
机构
[1] Royal Inst Technol, Space & Plasma Phys, SE-10044 Stockholm, Sweden
[2] Roskilde Univ, Glass & Time, IMFUFA, DK-4000 Roskilde, Denmark
基金
瑞典研究理事会;
关键词
INTEGRAL-EQUATION THEORY; CAVITY CORRELATION-FUNCTION; MOLECULAR-DISTRIBUTION FUNCTIONS; ZERO-SEPARATION THEOREMS; HIDDEN SCALE-INVARIANCE; TEST PARTICLE APPROACH; LENNARD-JONES FLUID; COMPUTER-SIMULATION; HARD-SPHERES; ENTROPY;
D O I
10.1063/5.0036226
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
It has been recently conjectured that bridge functions remain nearly invariant along phase diagram lines of constant excess entropy for the broad class of R-simple liquids. To test this hypothesis, the bridge functions of Yukawa systems are computed outside the correlation void with the Ornstein-Zernike inversion method employing structural input from ultra-accurate molecular dynamics simulations and inside the correlation void with the cavity distribution method employing structural input from ultra-long specially designed molecular dynamics simulations featuring a tagged particle pair. Yukawa bridge functions are revealed to be isomorph invariant to a very high degree. The observed invariance is not exact, however, since isomorphic deviations exceed the overall uncertainties.
引用
收藏
页数:21
相关论文
共 89 条
[1]   Relationship between Structure, Entropy, and Diffusivity in Water and Water-Like Liquids [J].
Agarwal, Manish ;
Singh, Murari ;
Sharma, Ruchi ;
Alam, Mohammad Parvez ;
Chakravarty, Charusita .
JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (20) :6995-7001
[2]  
[Anonymous], 1964, CLASSICAL FLUIDS
[3]   The reconstruction of the effective interaction potential on the base of pair correlation function measurements in dusty plasma [J].
Apfelbaum, E. M. .
PHYSICS OF PLASMAS, 2007, 14 (12)
[4]   HYPERNETTED-CHAIN CLOSURE WITH BRIDGE DIAGRAMS - ASYMMETRIC HARD-SPHERE MIXTURES [J].
ATTARD, P ;
PATEY, GN .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (08) :4970-4982
[5]   The EXP pair-potential system. II. Fluid phase isomorphs [J].
Bacher, Andreas Kvist ;
Schroder, Thomas B. ;
Dyre, Jeppe C. .
JOURNAL OF CHEMICAL PHYSICS, 2018, 149 (11)
[6]   The EXP pair-potential system. I. Fluid phase isotherms, isochores, and quasiuniversality [J].
Bacher, Andreas Kvist ;
Schroder, Thomas B. ;
Dyre, Jeppe C. .
JOURNAL OF CHEMICAL PHYSICS, 2018, 149 (11)
[7]   RUMD: A general purpose molecular dynamics package optimized to utilize GPU hardware down to a few thousand particles [J].
Bailey, Nicholas P. ;
Ingebrigtsen, Trond S. ;
Hansen, Jesper Schmidt ;
Veldhorst, Arno A. ;
Bohling, Lasse ;
Lemarchand, Claire A. ;
Olsen, Andreas E. ;
Bacher, Andreas K. ;
Costigliola, Lorenzo ;
Pedersen, Ulf R. ;
Larsen, Heine ;
Dyre, Jeppe C. ;
Schroder, Thomas B. .
SCIPOST PHYSICS, 2017, 3 (06)
[8]   Statistical mechanics of Roskilde liquids: Configurational adiabats, specific heat contours, and density dependence of the scaling exponent [J].
Bailey, Nicholas P. ;
Bohling, Lasse ;
Veldhorst, Arno A. ;
Schroder, Thomas B. ;
Dyre, Jeppe C. .
JOURNAL OF CHEMICAL PHYSICS, 2013, 139 (18)
[9]   Pressure-energy correlations in liquids. I. Results from computer simulations [J].
Bailey, Nicholas P. ;
Pedersen, Ulf R. ;
Gnan, Nicoletta ;
Schroder, Thomas B. ;
Dyre, Jeppe C. .
JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (18)
[10]   Exact molecular direct, cavity, and bridge functions in water system [J].
Belloni, Luc .
JOURNAL OF CHEMICAL PHYSICS, 2017, 147 (16)