相关论文: An improved coarse-grained model of solvation and …
We investigate a lattice-fluid model of water, defined on a three-dimensional body centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms, aiming to mimic the formation of hydrogen bonds.…
We develop a systematic effective field theory of hydrodynamics for many-body systems on the lattice with global continuous non-Abelian symmetries. Models with continuous non-Abelian symmetries are ubiquitous in physics, arising in diverse…
The pseudopotential model within the Lattice Boltzmann Method (LBM) framework has emerged as a prominent approach in computational fluid dynamics due to its dual strengths in physical intuitiveness and computational tractability. However,…
The free-energy lattice Boltzmann (LB) model is one of the major multiphase models in the LB community. The present study is focused on a class of free-energy LB models in which the divergence of thermodynamic pressure tensor or its…
In this paper, we aim to address several important issues about the recently developed lattice Boltzmann (LB) model for relativistic hydrodynamics [M. Mendoza et al., Phys. Rev. Lett. 105, 014502 (2010); Phys. Rev. D 82, 105008 (2010)].…
This work tests the statistical mechanical theory of hydrophobic interactions, isolates consequences of excluded volume interactions, and obtains B2 for those purposes. Cavity methods that are particularly appropriate for study of…
The problem of energy conservation in the lattice Boltzmann method is solved. A novel model with energy conservation is derived from Boltzmann's kinetic theory. It is demonstrated that the full thermo-hydrodynamics pertinent to the…
The Fokker-Planck (FP) equation represents the drift-diffusive processes in kinetic models. It can also be regarded as a model for the collision integral of the Boltzmann-type equation to represent thermo-hydrodynamic processes in fluids.…
In this paper we explore a possibility that all transport turbulent models are contained in a coarse-grained kinetic equation. Building on a recent work by H.Chen et al (2004), we account for fluctuations of a single -point probability…
The normal modes and relaxation rates of weak colloidal gels are investigated in computations employing different models of the hydrodynamic interactions between colloids. The eigenspectrum is computed for freely draining,…
In this paper we present an improved lattice Boltzmann model for compressible Navier-Stokes system with high Mach number. The model is composed of three components: (i) the discrete-velocity-model by Watari and Tsutahara [Phys Rev E…
We address the problem of inverse polymer swelling. This phenomenon, in which a collapsed polymer chain swells upon decreasing temperature, can be observed experimentally in so-called thermoreversible homopolymers in aqueous solution, and…
We describe in detail a recently proposed lattice-Boltzmann model for simulating flows with multiple phases and components. In particular, the focus is on the modeling of one-component fluid systems which obey non-ideal gas equations of…
A model of protein-ligand binding kinetics in which slow solvent dynamics results from hydrophobic drying transitions is investigated. Molecular dynamics simulations show that solvent in the receptor pocket can fluctuate between wet and dry…
We propose a sharp-interface model for solid-state dewetting of thin films with wetting potential, where the wetting effect is incorporated through a thickness-dependent surface energy. The model is governed by surface diffusion together…
Lattice Boltzmann model for viscoelastic flow simulation is proposed; elastic effects are taken into account in the framework of Maxwell model. The following three examples are studied using the proposed approach: a transverse velocity…
A multi-component lattice Boltzmann model recently introduced (R. Benzi et al. Phys. Rev. Lett 102, 026002 (2009)) to describe some dynamical behaviors of soft-flowing materials is theoretically analyzed. Equilibrium and transport…
We have constructed a model for the kinetics of rupture of membranes under tension, applying physical principles relevant to lipid bilayers held together by hydrophobic interactions. The membrane is characterized by the bulk compressibility…
We study the molecular correlations in a lattice model of a solution of a low-solubility solute, with emphasis on how the thermodynamics is reflected in the correlation functions. The model is treated in Bethe-Guggenheim approximation,…
Complex fluid-fluid interfaces featuring mesoscale structures with adsorbed particles are key components of newly designed materials which are continuously enriching the field of soft matter. Simulation tools which are able to cope with the…