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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 this study, we reexamine the long-range interaction between two atoms placed in an equilibrium thermal radiation environment. Employing the formalism of quantum electrodynamics at finite temperatures, we derive an expression for the…

Atomic Physics · Physics 2023-12-19 T. Zalialiutdinov , D. Solovyev

In this work we obtain analytical expressions for the non-additivity effects in the dispersive interaction between two atoms and perfectly conducting surface of arbitrary shape in the non-retarded regime. We show that this three bodies…

Quantum Physics · Physics 2015-05-27 Reinaldo de Melo e Souza , W. J. M. Kort-Kamp , F. S. S. Rosa , C. Farina

In this paper, we study the competition between finite-size effects (i.e. discernibility of particles) and dipole-dipole interactions in few-atom systems coupled to the electromagnetic field in vacuum. We consider two hallmarks of…

Quantum Physics · Physics 2017-10-10 F. Damanet , J. Martin

Short-range corrections to long-range selected configuration interaction calculations are derived from perturbation theory considerations and applied to harmonium (with two to six electrons for some low-lying states). No fitting to…

Chemical Physics · Physics 2024-07-19 Anthony Scemama , Andreas Savin

The Bose-Einstein condensation (BEC) of photons has been realized in one- and two-dimensional systems. When considering the influence of finite-size effect, the condensation in the one-dimensional fibre is of special interest since such a…

Statistical Mechanics · Physics 2021-11-02 Zhi-Jie Liu , Mi Xie

We study zero-range processes which are known to exhibit a condensation transition, where above a critical density a non-zero fraction of all particles accumulates on a single lattice site. This phenomenon has been a subject of recent…

Statistical Mechanics · Physics 2015-03-14 Paul Chleboun , Stefan Grosskinsky

A significant fraction of the changes in momentum distributions induced by dissipative phenomena in the description of the fluid fireball created in ultrarelativistic heavy-ion collisions actually take place when the fluid turns into…

Nuclear Theory · Physics 2014-07-22 Christian Lang , Nicolas Borghini

Within the quasichemical approach, the hydration free energy of an ion is decomposed into a chemical term accounting for ion specific ion-water interactions within the coordination sphere and nonspecific contributions accounting for packing…

Biological Physics · Physics 2011-06-03 Safir Merchant , D. Asthagiri

Dissipative processes in relativistic fluids are known to be important in the analyses of the hot QCD matter created in high-energy heavy-ion collisions. In this work, I consider dissipative corrections to energy and conserved charge…

Nuclear Theory · Physics 2018-10-08 Akihiko Monnai

Equilibrium properties of hydrogen-helium mixtures under thermodynamic conditions found in the interior of giant gas planets are studied by means of density functional theory molecular dynamics simulations. Special emphasis is placed on the…

Materials Science · Physics 2009-09-29 Jan Vorberger , Isaac Tamblyn , Stanimir A. Bonev , Burkhard Militzer

We consider four- and six-fermion interacting models at finite temperature and density. We construct the corresponding free energies and investigate the appearance of first- and second-order phase transitions. Finite-size effects on the…

High Energy Physics - Theory · Physics 2014-09-03 L. M. Abreu , F. C. Khanna , A. P. C. Malbouisson , J. M. C. Malbouisson , A. E. Santana

The scaling of the number of Rydberg excitations in a laser-driven cloud of atoms with the interaction strength is found to be affected by the finite size of the system. The scaling predicted by a theoretical model is compared with results…

Atomic Physics · Physics 2013-10-16 M. Gärttner , K. P. Heeg , T. Gasenzer , J. Evers

Equilibrium properties of hydrogen-helium mixtures under conditions similar to the interior of giant gas planets are studied by means of first principle density functional molecular dynamics simulations. We investigate the molecular and…

Other Condensed Matter · Physics 2009-07-09 Jan Vorberger , I. Tamblyn , B. Militzer , S. A. Bonev

The response of a suspension under a variety of static or alternating external fields strongly depends on the equilibrium electric double layer that surrounds the colloidal particles in the suspension. The theoretical models for salt-free…

Soft Condensed Matter · Physics 2022-02-11 Jun-Sik Sin , Kwang-Il Kim , Kuk-Chol Ri , Dok-Yong Ju , Nam-Hyok Kim , Chung-Sik Sin

The influences of water molecules surrounding biological molecules during irradiation with heavy particles (atoms,ions) are currently a major subject in radiation science on a molecular level. In order to elucidate the underlying complex…

Atomic and Molecular Clusters · Physics 2009-03-31 Z. P. Wang , P. M. Dinh , P. -G. Reinhard , E. Suraud , G. Bruny , C. Montano , S. Feil , S. Eden , H. Abdoul-Carime , B. Farizon , M. Farizon , S. Ouaskit , T. D. Maerk

Finite-size effects in systems with diverging characteristic lengthscale have been addressed via state-of-the-art Monte Carlo and molecular dynamics simulations of various models exhibiting solid-solid, liquid-liquid and vapor-liquid…

Statistical Mechanics · Physics 2018-03-09 Subir K. Das , Sutapa Roy , Suman Majumder , Shaista Ahmad

Describing the diffusion of particles through crowded, confined environments with which they can interact is of considerable biological and technological interest. Under conditions where the confinement dimensions become comparable to the…

Soft Condensed Matter · Physics 2009-11-13 Mark L. Henle , Brian DiDonna , Christian D. Santangelo , Ajay Gopinathan

We study ion pair dissociation in water at ambient conditions using a combination of classical and ab initio approaches. The goal of this study is to disentangle the sources of discrepancy observed in computed potentials of mean force. In…

Chemical Physics · Physics 2021-06-02 Alec Wills , Marivi Fernández-Serra

How condensed-matter simulations depend on the number of molecules being simulated ($N$) is sometimes itself a valuable piece of information. Liquid crystals provide a case in point. Light scattering and $2d$-IR experiments on…

Soft Condensed Matter · Physics 2024-12-20 Eleftherios Mainas , Richard M. Stratt