Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/101490
Title: Interparticle correlations in the simple cubic lattice of ferroparticles: Theory and computer simulations
Authors: Solovyova, A. Y.
Kuznetsov, A. A.
Elfimova, E. A.
Issue Date: 2020
Publisher: Elsevier B.V.
Citation: Solovyova A. Y. Interparticle correlations in the simple cubic lattice of ferroparticles: Theory and computer simulations / A. Y. Solovyova, A. A. Kuznetsov, E. A. Elfimova. — DOI 10.1016/j.physa.2020.124923 // Physica A: Statistical Mechanics and its Applications. — 2020. — Vol. 558. — 124923.
Abstract: Anisotropic interparticle correlations in the simple cubic lattice of single-domain ferroparticles (SCLF) are studied using both theory and computer simulation. The theory is based on the Helmholtz free energy expansion like classical virial series up to the second virial coefficient. The analytical formula for the Helmholtz free energy is incorporated in a logarithmic form to minimize the effects of series truncation. The new theoretical approach, including discrete summation over lattice nodes coordinates, is compared critically against the classical virial expansion of the Helmholtz free energy for the dipolar hard sphere fluid; the main differences between the Helmholtz free energy of SCLF and dipolar hard sphere fluid are discussed. The theoretical results for the Helmholtz free energy, the magnetization, and the initial magnetic susceptibility of the SCLF are compared against Molecular Dynamic simulation data. In all cases, theoretical predictions using logarithmic form of the Helmholtz free energy are seen to be superior, but they only have an applicability range of the effective dipolar coupling constant λe<1.5. For highest values of λe, the structural transition of the magnetic dipoles in SCLF is observed in Molecular Dynamic simulation. It has been shown that for λe≳2, an antiferromagnetic order appears in the system. © 2020
Keywords: CONFIGURATIONAL INTEGRAL
DIPOLE INTERACTIONS
HELMHOLTZ FREE ENERGY
MAGNETIZATION
SINGLE-DOMAIN FERROPARTICLES
VIRAL COEFFICIENTS
EXPANSION
FLUIDS
LATTICE THEORY
MAGNETIC SUSCEPTIBILITY
MOLECULAR DYNAMICS
ANALYTICAL FORMULAS
ANTIFERROMAGNETIC ORDERINGS
DIPOLAR HARD SPHERES
INTER-PARTICLE CORRELATIONS
SECOND VIRIAL COEFFICIENTS
SIMPLE-CUBIC LATTICES
STRUCTURAL TRANSITIONS
THEORETICAL APPROACH
FREE ENERGY
URI: http://hdl.handle.net/10995/101490
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85087991633
PURE ID: 13384043
38e3f3e3-7109-479b-8c65-85763c657184
ISSN: 3784371
DOI: 10.1016/j.physa.2020.124923
metadata.dc.description.sponsorship: The reported study was funded by RFBR , project number 20-02-00358 . AYS and EAE acknowledged Prof. Philip Camp for his advice and useful discussions.
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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