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Related papers: Freezing and melting equations for the $n$-6 Lenna…

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Analyzing three approximate methods to locate liquid-solid coexistence in simple systems, an observation is made that all of them predict the same functional dependence of the temperature on density at freezing and melting of the…

Soft Condensed Matter · Physics 2011-11-30 Sergey A. Khrapak , Gregor E. Morfill

We report a Phase Switch Monte Carlo (PSMC) method study of the freezing line of the Lennard-Jones (LJ) fluid. Our work generalizes to soft potentials the original application of the method to hard sphere freezing, and builds on a previous…

Statistical Mechanics · Physics 2009-11-11 Graham C. McNeil-Watson , Nigel B. Wilding

The invariance of several structural and dynamical properties of the Lennard-Jones (LJ) system along the freezing and melting lines is interpreted in terms of the isomorph theory. First the freezing/melting lines for LJ system are shown to…

Soft Condensed Matter · Physics 2017-01-04 Lorenzo Costigliola , Thomas B. Schrøder , Jeppe C. Dyre

Framing the glass formation within standard statistical mechanics is an outstanding problem of condensed matter theory. To provide new insight, we investigate the structural properties of the Lennard-Jones fluid in the very-low temperature…

Statistical Mechanics · Physics 2026-02-02 Bomont Jean-Marc , Bretonnet Jean-Louis , Costa Dino , Pastore Giorgio

We present a systematic study of the thermodynamics of two and three-dimensional generalized Lennard-Jones ($LJ$) systems focusing on the relationship between the range of the potential, the system density and its dimension. We found that…

Statistical Mechanics · Physics 2007-05-23 M. J. Ison , A. Chernomoretz , C. O. Dorso

We use polydispersity in size as a control parameter to explore certain aspects of melting and freezing transitions in a system of Lennard-Jones spheres. Both analytical theory and computer simulations are employed to establish a…

Soft Condensed Matter · Physics 2014-02-28 Sarmistha Sarkar , Rajib Biswas , Partha Pratim Ray , Biman Bagchi

We report microcanonical Monte Carlo simulations of melting and superheating of a generic, Lennard-Jones system starting from the crystalline phase. The isochoric curve, the melting temperature $T_m$ and the critical superheating…

Statistical Mechanics · Physics 2017-03-20 Sergio Davis , Gonzalo Gutiérrez

Extending to continuous potentials a cleaving wall molecular-dynamics simulation method recently developed for the hard-sphere system [Phys.Rev.Lett 85, 4751 (2000)], we calculate the crystal-melt interfacial free energies, $\gamma$, for a…

Materials Science · Physics 2009-11-10 Ruslan L. Davidchack , Brian B. Laird

We present a computer simulation study of a (6,12)-Lennard-Jones fluid confined to a slit pore, formed by two uniform planes. These interact via (3,9)-Lennard-Jones potential with the fluid particles. When the fluid approaches the…

Soft Condensed Matter · Physics 2009-02-20 N. Gribova , H. Maleki , A. Arnold , C. Holm , T. Schilling

The phase diagram of the prototypical two-dimensional Lennard-Jones system, while extensively investigated, is still debated. In particular, there are controversial results in the literature as concern the existence of the hexatic phase and…

Statistical Mechanics · Physics 2020-12-08 Yan-Wei Li , Massimo Pica Ciamarra

Results of a systematic investigation of the vapour-liquid equilibria of 38 individual two-centre Lennard-Jones plus axial pointdipole model fluids (2CLJD) are reported over a range of reduced dipolar momentum 0 $\le \mu^{*2} \le$ 20 and of…

Computational Physics · Physics 2009-04-23 Jürgen Stoll , Jadran Vrabec , Hans Hasse

We set up a harmonic lattice model for 2D defect melting which, in contrast to earlier simple-cubic models, lives on a triangular lattice. Integer-valued plastic defect gauge fields allow for the thermal generation of dislocations and…

Soft Condensed Matter · Physics 2011-10-05 J. Dietel , H. Kleinert

We explain the findings by Di Leonardo et al. [Phys. Rev. Lett. 84, 6054 (2000)] that the effective temperature of a Lennard-Jones glass depends only on the final value of the density in the volume and/or temperature jump that produces the…

Statistical Mechanics · Physics 2013-05-14 Nicoletta Gnan , Claudio Maggi , Thomas B. Schroeder , Jeppe C. Dyre

In this paper we explore the validity of the Rosenfeld and the Dzugutov relation for the Lennard-Jones (LJ) system, its repulsive counterpart, the WCA system and a network forming liquid, the NTW model. We find that for all the systems both…

Soft Condensed Matter · Physics 2017-06-07 Atreyee Banerjee , Manoj Kumar Nandi , Sarika Maitra Bhattacharyya

The Lennard-Jones (LJ) spline potential is a truncated LJ potential such that both the pair potential and the force continuously approach zero at $r_c \approx 1.74{\sigma}$. We present a systematic map of the thermodynamic properties of the…

We study the phenomenon of laser induced freezing, within a numerical renormalization scheme which allows explicit comparison with a recent defect mediated melting theory. Precise values for the `bare' dislocation fugacities and elastic…

Soft Condensed Matter · Physics 2009-11-10 Debasish Chaudhuri , Surajit Sengupta

A slab based long range correction approach for multi-site Lennard-Jones models is presented for systems with a planar film geometry that is based on the work by Janecek, J. Phys. Chem. B 110: 6264 (2006). It is efficient because it relies…

Computational Physics · Physics 2015-08-06 Stephan Werth , Gábor Rutkai , Martin Horsch , Jadran Vrabec , Hans Hasse

Using standard thermodynamics and previous results of the author, this paper aims to discuss the conditions for phase equilibrium in a Lennard-Jones fluid. Possibilities of astrophysical applications of the results obtained here are…

Statistical Mechanics · Physics 2015-06-04 V. Celebonovic

It is demonstrated that the crossover between gas- and liquid-like regions on the phase diagram of the Lennard-Jones system occurs at a fixed value of the density divided by its value at the freezing point, $\rho/\rho_{\rm fr}\simeq 0.35$.…

Statistical Mechanics · Physics 2022-03-29 Sergey Khrapak

In principle, the answer to the posed titular question is undoubtedly 'yes.' But in practice, requisite reference data for homogeneous systems have been obtained with a treatment of intermolecular interactions that is different from that…

Statistical Mechanics · Physics 2022-05-02 Dominic Atherton , Angelos Michaelides , Stephen J. Cox
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