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We developed a new physical model to predict macroscopic properties of inorganic molten systems using a realistic description of inter-atomic interactions. Unlike the conventional approach, which tends to overestimate viscosity by several…

Materials Science · Physics 2015-06-04 Vitaly V. Chaban , Yuriy V. Pereverzev , Oleg V. Prezhdo

We study a two-dimensional fluid of dipolar hard disks by Monte Carlo simulations in a square with periodic boundary conditions and on the surface of a sphere. The theory of the dielectric constant and the asymptotic behaviour of the…

Soft Condensed Matter · Physics 2015-10-28 Jean-Michel Caillol , Jean-Jacques Weis

A density functional theory of two-dimensional freezing is presented for a soft interaction potential that scales as inverse cube of particle distance. This repulsive potential between parallel, induced dipoles is realized for paramagnetic…

Soft Condensed Matter · Physics 2009-05-28 Sven van Teeffelen , Christos N. Likos , Norman Hoffmann , Hartmut Löwen

We study the temperature dependence of static and dynamic responses of Coulomb interacting particles in two-dimensional traps across the thermal crossover from an amorphous solid- to liquid-like behaviors. While static correlations, that…

Disordered Systems and Neural Networks · Physics 2017-10-11 Biswarup Ash , J. Chakrabarti , Amit Ghosal

The Quantum Monte Carlo simulations of the ionic Hubbard model on a two-dimensional square lattice at half filling were performed. The method based on the direct-space, proposed by Suzuki and al., Hirsch and al., was used. Cycles of…

Strongly Correlated Electrons · Physics 2010-02-02 Bernard Martinie

Ionic liquids offer unique bulk and interfacial characteristics as battery electrolytes. Our continuum approach naturally describes the electrolyte on a macroscale. An integral formulation for the molecular repulsion,which can be…

Chemical Physics · Physics 2022-11-30 Max Schammer , Arnulf Latz , Birger Horstmann

The model under consideration is a classical 2D Coulomb gas of pointlike positive and negative unit charges, interacting via a logarithmic potential. In the whole stability range of temperatures, the equilibrium statistical mechanics of…

Statistical Mechanics · Physics 2008-11-26 L. Samaj

The effects of strong Coulomb correlations in dense three-dimensional electron-hole plasmas are studied by means of unbiased direct path integral Monte Carlo simulations. The formation and dissociation of bound states, such as excitons and…

Strongly Correlated Electrons · Physics 2009-11-13 V. S. Filinov , H. Fehske , M. Bonitz , V. E. Fortov , P. Levashov

Monte Carlo simulations of a spherical macroion, surrounded by a size-asymmetric electrolyte in the primitive model, were performed. We considered 1:1 and 2:2 salts with a size ratio of 2 (i.e., with coions twice the size of counterions),…

Soft Condensed Matter · Physics 2013-05-29 G. I. Guerrero-García , E. González-Tovar , M. Chávez-Páez

We examine binary mixtures of superparamagnetic colloidal particles confined to a two-dimensional water-air interface both by real-space experiments and Monte-Carlo computer simulations at high coupling strength. In the simulations, the…

Soft Condensed Matter · Physics 2015-05-13 L Assoud , F Ebert , P Keim , R Messina , G Maret , H Löwen

We present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the soft-Coulomb interaction based on quantum Monte-Carlo calculations. Results for the ground-state energies and ionization potentials of…

Strongly Correlated Electrons · Physics 2015-05-27 N. Helbig , J. I. Fuks , M. Casula , M. J. Verstraete , M. A. L. Marques , I. V. Tokatly , A. Rubio

We study Coulomb drag between an active layer with a clean electron liquid and a passive layer with a pinned electron lattice in the regime of fast intralayer equilibration. Such a two-fluid system offers an experimentally realizable way to…

Strongly Correlated Electrons · Physics 2019-12-17 Tobias Holder

We reformulate the theory of strong electrostatic coupling in order to describe an asymmetric electrolyte solution of monovalent salt ions and polyvalent counterions using field-theoretical techniques and Monte-Carlo simulations. The theory…

Soft Condensed Matter · Physics 2015-05-14 Matej Kanduc , Ali Naji , Jan Forsman , Rudolf Podgornik

We use a recent approach [Phys. Rev. Letters, {\bf 84}, 959 (2000)] for including Coulomb interactions in quantum systems via a classical mapping of the pair-distribution functions (PDFs) for a study of the 2-D electron gas. As in the 3-D…

Strongly Correlated Electrons · Physics 2009-11-07 François Perrot , M. W. C. Dharma-wardana

Structural and thermodynamic properties of the model solution containing charged oligomers and the equivalent number of counterions were studied by means of the canonical Monte Carlo simulation technique. The oligomers are represented as…

Soft Condensed Matter · Physics 2012-02-21 T. Sajevic , J. Rescic , V. Vlachy

The statistical mechanics of a two dimensional Coulomb gas confined to one dimension is studied, wherein hard core particles move on a ring. Exact self-duality is shown for a version of the sine-Gordon model arising in this context, thereby…

Condensed Matter · Physics 2009-10-31 O. Narayan , B. S. Shastry

We have studied properties of quantum charge fluids interacting with random impurities or heavy polarons using a microscopic Hamiltonian with the full many-body Coulomb interaction with the use of variational many-body formalism. At zero…

Mesoscale and Nanoscale Physics · Physics 2017-08-23 Mikko Saarela , F V Kusmartsev

We study swelling and structural properties of ionic microgel suspensions within a comprehensive coarse-grained model that combines the polymeric and colloidal natures of microgels as permeable, compressible, charged spheres governed by…

Soft Condensed Matter · Physics 2018-06-07 Tyler J. Weyer , Alan R. Denton

Inferring properties of macroscopic solutions from molecular simulations is complicated by the limited size of systems that can be feasibly examined with a computer. When long-ranged electrostatic interactions are involved, the resulting…

Statistical Mechanics · Physics 2018-08-14 Stephen J. Cox , Phillip L. Geissler

In previous work we developed a new statistical method for calculating the individual activities of ions including the association of ions. Here we study multi-particle electrostatic interactions connected within higher cluster integrals…

Soft Condensed Matter · Physics 2023-05-26 W. Ebeling , H. Krienke