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Results for transport properties, in conjunction with phase behavior and thermodynamics, are presented at the criticality of a binary Lennard-Jones fluid from Monte Carlo and molecular dynamics simulations. Evidence for much stronger…

Statistical Mechanics · Physics 2018-04-17 Sutapa Roy , Subir K. Das

We use Monte Carlo and molecular dynamics simulations to study phase behavior and transport properties in a symmetric binary fluid where particles interact via Lennard-Jones potential. Our results for the critical behavior of collective…

Statistical Mechanics · Physics 2018-03-09 Sutapa Roy , Subir K. Das

We review and discuss recent advances in the simulation of bulk critical phenomena in model fluids. In particular we emphasise the extensions to finite-size scaling theory needed to cope with the lack of symmetry between coexisting fluid…

Statistical Mechanics · Physics 2009-10-28 N. B. Wilding

Monte Carlo simulations within the grand canonical ensemble are used to explore the liquid-vapour coexistence curve and critical point properties of the Lennard-Jones fluid. Attention is focused on the joint distribution of density and…

Condensed Matter · Physics 2009-10-28 Nigel B. Wilding

We reaccess the droplet condensation-evaporation transition of a three-dimensional Lennard-Jones system upon a temperature change. With the help of parallel multicanonical simulations we obtain precise estimates of the transition…

Soft Condensed Matter · Physics 2017-01-13 Johannes Zierenberg , Wolfhard Janke

We show that, along the critical isobar, the complete scaling results in a unique leading scaling qualitatively distinct to that arising from the simple and the revised scalings. This is verified by a complete-field finite-time scaling…

Statistical Mechanics · Physics 2015-08-17 Yankui Wang , Ji Liu , Jiajie Xiao , Fan Zhong

We consider the application of finite-size scaling methods to isothermal-isobaric (constant-NpT) simulations of pure continuum fluids. A finite-size scaling ansatz is made for the dependence of the relevant scaling operators on the particle…

Condensed Matter · Physics 2015-06-25 N. B. Wilding , K. Binder

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

Finite-size scaling (FSS) for a critical phase transition ($t=0$) states that within a window of size $|t|\sim L^{-1/\nu}$, the scaling behavior of any observable $Q$ in a system of linear size $L$ asymptotically follows a scaling form as…

Statistical Mechanics · Physics 2024-12-10 Ming Li , Sheng Fang , Jingfang Fan , Youjin Deng

We present a finite-size scaling analysis of the droplet condensation-evaporation transition of a lattice gas (in two and three dimensions) and a Lennard-Jones gas (in three dimensions) at fixed density. Parallel multicanonical simulations…

Soft Condensed Matter · Physics 2015-08-04 Johannes Zierenberg , Wolfhard Janke

We study equilibrium dynamics of a symmetrical binary Lennard-Jones fluid mixture near its consolute criticality. Molecular dynamics simulation results for shear viscosity, $\eta$, from microcanonical ensemble are compared with those from…

Statistical Mechanics · Physics 2018-03-09 Sutapa Roy , Subir K. Das

The finite-size effects prominent in zero-range processes exhibiting a condensation transition are studied by using continuous-time Monte Carlo simulations. We observe that, well above the thermodynamic critical point, both static and…

Statistical Mechanics · Physics 2010-09-21 Janne Juntunen , Otto Pulkkinen , Juha Merikoski

A symmetrical binary, A+B Lennard-Jones mixture is studied by a combination of semi-grandcanonical Monte Carlo (SGMC) and Molecular Dynamics (MD) methods near a liquid-liquid critical temperature $T_c$. Choosing equal chemical potentials…

Statistical Mechanics · Physics 2009-11-11 Subir K. Das , Juergen Horbach , Kurt Binder , Michael E. Fisher , Jan V. Sengers

The finite-size scaling (FSS) theory for continuous phase transitions has been useful in determining the critical behavior from the size dependent behaviors of thermodynamic quantities. When the phase transition is discontinuous, however,…

Statistical Mechanics · Physics 2015-05-19 Y. S. Cho , S. -W. Kim , J. D. Noh , B. Kahng , D. Kim

The equilibrium density distribution and thermodynamic properties of a Lennard-Jones fluid confined to nano-sized spherical cavities at constant chemical potential was determined using Monte Carlo simulations. The results describe both a…

Mesoscale and Nanoscale Physics · Physics 2010-04-27 James F. Lutsko , Julien Laidet , Patrick Grosfils

Despite extensive study of the liquid-gas phase transition, accurately determining the critical point and the critical exponents in fluid systems through direct simulation remains a challenge. We employ the eigen microstate theory (EMT) to…

Statistical Mechanics · Physics 2026-01-19 Lan Yang , Zhaorong Pang , Chongzhi Qiao , Gaoke Hu , Jiaqi Dong , Rui Shi , Xiaosong Chen

We report comprehensive simulations of the critical dynamics of a symmetric binary Lennard-Jones mixture near its consolute point. The self-diffusion coefficient exhibits no detectable anomaly. The data for the shear viscosity and the…

Statistical Mechanics · Physics 2009-11-11 Subir K. Das , Michael E. Fisher , Jan V. Sengers , Juergen Horbach , Kurt Binder

The magnetic phase transition in a Heisenberg fluid is studied by means of the finite size scaling (FSS) technique. We find that even for larger systems, considered in an ensemble with fixed density, the critical exponents show deviations…

Statistical Mechanics · Physics 2009-10-31 I. M. Mryglod , I. P. Omelyan , R. Folk

The dynamic and static critical behavior of five binary Lennard-Jones liquid mixtures, close to their continuous demixing points (belonging to the so-called model H' dynamic universality class), are studied computationally by combining…

Statistical Mechanics · Physics 2018-03-09 Sutapa Roy , S. Dietrich , Felix Höfling

We analyze thermodynamic models for fluid systems in equilibrium based on a virial expansion of the internal energy in terms of the volume density. We prove that the models, formulated for finite-size systems with $N$ particles, are exactly…

Statistical Mechanics · Physics 2026-04-21 Xin An , Francesco Giglio , Giulio Landolfi
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