相关论文: An improved coarse-grained model of solvation and …
We analyze the possible phase diagrams of a simple model for an associating liquid proposed previously. Our two-dimensional lattice model combines oreintati onal ice-like interactions and \"{}Van der Waals\"{} interactions which may be…
We define a lattice model for the interaction of a polymer with water. We solve the model in a suitable approximation. In the case of a non-polar homopolymer, for reasonable values of the parameters, the polymer is found in a non-compact…
Lattice models are popular methods for simulating deformation of solids by discretizing continuum structures into spring networks. Despite the simplicity and efficiency, most lattice models only rigorously converge to continuum models for…
We demonstrate that at finite density and sufficiently high temperatures, phase-quenched (PQ) lattice simulations combined with perturbation theory provide a new precision approach to determining the thermodynamics of QCD across a wide arc…
An accurate description of elastic effects of coherent microstructures is necessary for the predictive modeling of microstructural evolution in many structural materials. To date, there has not been a demonstration on how continuum…
Models of Dynamical Electroweak Symmetry Breaking are expected to display a quasi-conformal scaling behaviour in order to accommodate experimental constraints. The scaling properties of a theory can be studied using finite volume…
In this work, we aimed to replicate and extend the results presented in the DiffFluid paper[1]. The DiffFluid model showed that diffusion models combined with Transformers are capable of predicting fluid dynamics. It uses a denoising…
Spherical truncations of Coulomb interactions in standard models for water permit efficient molecular simulations and can give remarkably accurate results for the structure of the uniform liquid. However truncations are known to produce…
A lattice Boltzmann model is introduced which simulates oil-water-surfactant mixtures. The model is based on a Ginzburg-Landau free energy with two scalar order parameters. Diffusive and hydrodynamic transport is included. Results are…
Recent experiments (Zhu & Granick (2001) Phys. Rev. Lett. 87 096105) have measured a large shear dependent fluid slip at partially wetting fluid-solid surfaces. We present a simple model for such slip, motivated by the recent observations…
In fluids under temperature gradients, long-range correlations (LRCs) emerge generically, leading to enhanced density fluctuations. This phenomenon, characterized by the $\boldsymbol{q}^{-4}$ divergence in the static structure factor (where…
We propose an extension to recently developed Relativistic Lattice Boltzmann solvers (RLBM), which allows the simulation of flows close to the free streaming limit. Following previous works [Phys. Rev. C 98 (2018) 035201], we use product…
We study some aspects of hydrophobic interaction between molecular rough and flexible model surfaces. The model we use in this work is based on a model we used previously (Eun, C.; Berkowitz, M. L. J. Phys. Chem. B 2009, 113, 13222-13228),…
Lattice kinetic equations incorporating the effects of external/internal force fields via a shift of the local fields in the local equilibria, are placed within the framework of continuum kinetic theory. The mathematical treatment reveals…
Many coarse-grained models have been developed for equilibrium studies of lipid bilayer membranes. To achieve in simulations access to length-scales and time-scales difficult to attain in fully atomistic molecular dynamics, these…
Clarifying the factors that control the contact angle of a liquid on a solid substrate is a long-standing scientific problem pertinent across physics, chemistry and materials science. Progress has been hampered by the lack of a…
We employ a recently formulated axisymmetric version of the multiphase Shan-Chen (SC) lattice Boltzmann method (LBM) [Srivastava et al, in preparation (2013)] to simulate the contraction of a liquid ligament. We compare the axisymmetric LBM…
Numerous studies have identified large quantum mechanical effects in the dynamics of liquid water. In this paper, we suggest that these effects may have been overestimated due to the use of rigid water models and flexible models in which…
In this paper, an improved thermal lattice Boltzmann (LB) model is proposed for simulating liquid-vapor phase change, which is aimed at improving an existing thermal LB model for liquid-vapor phase change [S. Gong and P. Cheng, Int. J. Heat…
The paper contains a development of the previously proposed generalized lattice model (GLM). In contrast to usual lattice models, the difference of the specific atomic volumes of the components is taken in account in GLM. In addition to…