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For simulation studies of (macro) molecular liquids it would be of significant interest to be able to adjust or increase the level of resolution within one region of space, while allowing for the free exchange of molecules between open…

In this paper, thermal-slip coefficients in slip boundary conditions of the Stokes equation are derived using the generalized slip-flow theory, with special interest in the role of near-wall potential in micro- and nanoscale flows. As the…

Fluid Dynamics · Physics 2025-10-20 Tetsuro Tsuji , Koichiro Takita , Satoshi Taguchi

We derive a class of thermodynamically consistent variants of Maxwell/Oldroyd-B type models for viscoelastic fluids. In particular, we study the models that allow one to consider temperature dependent material coefficients. This naturally…

Fluid Dynamics · Physics 2017-07-12 Jaroslav Hron , Vojtěch Miloš , Vít Průša , Ondřej Souček , Karel Tůma

The main idea of the interstitial-ice model is that liquid water consists of an intact hexagonal lattice with both vacant lattice positions and interstitial water molecules. Narten, Danford and Levy derived the model parameters from the…

Materials Science · Physics 2020-03-05 John De Poorter

Representing data by means of graph structures identifies one of the most valid approach to extract information in several data analysis applications. This is especially true when multimodal datasets are investigated, as records collected…

Social and Information Networks · Computer Science 2022-10-18 Andrea Marinoni , Christian Jutten , Mark Girolami

Recent dynamic compression experiments [M. D. Knudson et al., Science 348, 1455 (2015); P. M. Celliers et al., Science 361, 677 (2018)] have observed the insulator-metal transition in dense liquid deuterium, but with an approximately 95 GPa…

Materials Science · Physics 2020-04-01 M. P. Desjarlais , M. D. Knudson , R. Redmer

We propose a simple, self-consistent kinetic model for the evolution of a mixture of droplets and vapor expanding adiabatically in vacuum after rapid, almost isochoric heating. We study the evolution of the two-phase fluid at intermediate…

Fluid Dynamics · Physics 2011-06-01 Julien Armijo , John J. Barnard

The process of coalescence of two identical liquid drops is simulated numerically in the framework of two essentially different mathematical models, and the results are compared with experimental data on the very early stages of the…

Fluid Dynamics · Physics 2015-06-12 James Sprittles , Yulii Shikhmurzaev

We investigate the Navier-Stokes-Fourier system for incompressible heat conducting inhomogeneous fluid. The main result concerns existence of global in time regular large solutions, provided the initial temperature is sufficiently large.…

Analysis of PDEs · Mathematics 2016-02-01 Piotr B. Mucha , Agnieszka Świerczewska-Gwiazda

Phase field models are powerful tools to tackle free boundary problems. For phase transformations involving diffusion, the evolution of the non conserved phase field is coupled to the evolution of the conserved diffusion field. Introducing…

Materials Science · Physics 2015-06-18 G. Boussinot , Efim A. Brener

We study the mechanical contact between a deformable body with a wavy surface and a rigid flat taking into account pressurized fluid trapped in the interface. A finite element model is formulated for a general problem of trapped fluid for…

Fluid Dynamics · Physics 2021-03-23 Andrei G. Shvarts , Vladislav A. Yastrebov

The development of microfluidic devices has recently revived the interest in "old" problems associated with transport at, or across, interfaces. As the characteristic sizes are decreased, the use of pressure gradients to transport fluids…

Materials Science · Physics 2016-08-16 Lydéric Bocquet , J. -L. Barrat

Scalar transport (e.g. heat or chemical species) in laminar flows is key to many industrial activities and fluid stirring by flow reorientation is a common way to enhance this process. However, "How best to stir?" remains a major challenge.…

Fluid Dynamics · Physics 2021-12-23 R. Lensvelt , M. F. M Speetjens , H. Nijmeijer

This study investigates the heat transfer in a simple pure fluid whose temperature is slightly above its critical temperature. We propose a efficient numerical method to predict the heat transfer in such fluids when the gravity can be…

Fluid Dynamics · Physics 2016-01-26 Vadim Nikolayev , A Dejoan , Y. Garrabos , D Beysens

We propose a method of describing a phase transition in a cell fluid model with pair interaction potential that includes repulsive and attractive parts. An exact representation of the grand partition function of this model is obtained in…

Statistical Mechanics · Physics 2017-06-23 M. P. Kozlovskii , O. A. Dobush

Within the theory of interacting continua, we develop a model for a heat conducting mixture of two interacting fluids described in terms of the densities and the velocities for each fluid and the temperature field for the mixture as a…

Soft Condensed Matter · Physics 2021-09-02 Josef Málek , Ondřej Souček

We propose a new method to compute the free energy or enthalpy of fluids or disordered solids by computer simulation . The main idea is to construct a reference system by freezing one representative configuration, and then carry out a…

Computational Physics · Physics 2011-03-16 Friederike Schmid , Tanja Schilling

We present a thermodynamically consistent mesoscopic model of protein adsorption at liquid-solid interfaces. First describing the equilibrium state under varying protein concentration of the solution and binding conditions, we predict a…

Soft Condensed Matter · Physics 2016-08-31 Gergely J. Szollosi , Imre Derenyi , Janos Voros

In this work, the van der Waals fluid model, a diffuse-interface model for liquid-vapor two-phase flows, is numerically investigated. The thermodynamic properties of the van der Waals fluid are first studied. Dimensional analysis is…

Computational Physics · Physics 2018-09-05 Ju Liu

In this paper, a thermal-dynamical consistent model for mass transfer across permeable moving interfaces is proposed by using the energy variation method. We consider a restricted diffusion problem where the flux across the interface…

Numerical Analysis · Mathematics 2022-06-15 Yuzhe Qin , Huaxiong Huang , Yi Zhu , Chun Liu , Shixin Xu