Xianqiao Wang¹, James D. Lee²

CMES-Computer Modeling in Engineering & Sciences, Vol.69, No.3, pp. 199-222, 2010, DOI:10.3970/cmes.2010.069.199

Abstract This paper presents an atom-based continuum (ABC) method aiming at a seamless transition from the atomistic to the continuum description of multi-element crystalline solids (which has more than one kind of atom in the unit cell). Contrary to many concurrent multiscale approaches, ABC method is naturally suitable for the analysis of multi-element crystals within a finite element (FE) framework. Taking both efficiency and accuracy into account, we adopt a cluster-based summation rule for atomic force calculations in the FE formulations. Single-crystals MgO, BaTiO₃ and Cu under mechanical loading are modeled and simulated. With a coarse-grained mesh, ABC method is shown… More >

J. Badur¹, M. Karcz¹, M. Lemanski¹, L. Nastalek¹

CMES-Computer Modeling in Engineering & Sciences, Vol.73, No.3, pp. 299-310, 2011, DOI:10.3970/cmes.2011.073.299

Abstract In the paper we propose to remove the classical Navier slip condition and replace it with new generalized Navier-Stokes slip boundary conditions. These conditions are postulated to be ones following from the mass and momentum balance within a thin, shell-like moving boundary layer. Owing to this, the problem consistency between the internal and external friction in a viscous fluid is solved within the framework of a proper form of the layer balances, and a proper form of constitutive relations for appropriate friction forces. Finally, the common features of the Navier, Stokes, Maxwell and Reynolds concepts of a boundary slip layer… More >

Xianqiao Wang¹, James D. Lee¹

CMES-Computer Modeling in Engineering & Sciences, Vol.62, No.2, pp. 150-170, 2010, DOI:10.3970/cmes.2010.062.150

Abstract The concurrent methods for coupling molecular dynamics with continuum thermodynamics offer a myriad of challenging problems, mostly related with energy transmission, wave reflection, and damage propagation at the interfaces between the continuum description and the discrete description. In this work, by virtue of the atomistic field theory (AFT), we present an analysis to reconcile the compatibility between atomic region and continuum region and to calculate the matching temperature field of a heat conduction problem in a concurrent atomistic/continuum system. First, formulation of AFT with finite temperature and its corresponding finite element implementation are briefly introduced. Then we develop a new… More >

Toshihisa Nishioka ¹,

CMES-Computer Modeling in Engineering & Sciences, Vol.10, No.3, pp. 209-216, 2005, DOI:10.3970/cmes.2005.010.209

Abstract Recent Advances in Numerical Simulation Technologies for Various Dynamic Fracture Phenomena are summarized. First, the basic concepts of fracture simulations are explained together with pertinent simulation results. Next, Examples of dynamic fracture simulations are presented. More >

Hameed Muhamad¹, Simant Upreti ², Ali Lohi³, Huu Doan⁴

FDMP-Fluid Dynamics & Materials Processing, Vol.12, No.3, pp. 111-123, 2016, DOI:10.3970/fdmp.2016.012.111

Abstract Heavy Oil is an up and coming energy resource that is aggressively being sought after as the world’s energy demand increases. As technology continues to improve, this once costly energy source is quickly becoming a more viable alternative. Vapor extraction (Vapex) process is an emerging technology for viscous oil recovery that has gained much attention in the oil industry. The vapor extraction of heavy oil system is presented to describe experimental setups and procedures used to perform different experiments of vape extraction process. The generated experimental data were used to calculate the live oil maximum interfacial solvent concentration as function… More >

D. Benmouhoub¹, A. Mataoui¹

FDMP-Fluid Dynamics & Materials Processing, Vol.10, No.2, pp. 241-260, 2014, DOI:10.3970/fdmp.2014.010.241

Abstract The present work is devoted to the numerical study of the interaction of an inclined plane turbulent jet with a moving horizontal isothermal hot wall. The inclination of the jet allows the control of the stagnation point location. Numerical predictions based on statistical modeling are obtained using a second order Reynolds stress turbulence model coupled to an enhanced wall treatment. For a given impinging distance H (H =8e), the considered problem parameters are: (a) jet exit Reynolds number (Re, based on the thickness "e" of the nozzle) in the range from 10000 to 25000, (b) surface-to-jet velocity ratio Rsj from… More >

Yan Shen¹, Hong Zhang^1,2,3, Hui Xu¹, Tong Bai¹, Ping Yu¹

FDMP-Fluid Dynamics & Materials Processing, Vol.10, No.1, pp. 63-81, 2014, DOI:10.3970/fdmp.2014.010.063

Abstract Single-unit and multi-unit models of porous media (metal felts) have been used to investigate thermal fluid-structure interaction phenomena in a liquid sodium system. Micro-scale aspects have been studied via numerical simulations. The permeability of metal felts has been measured experimentally to verify the reliability of the models used. This integrated approach has allowed a proper evaluation of the interdependencies among phenomena on different scales (including relevant information on skeleton deformation and pressure drop as a function of different parameters). Pressure drop generally increases with velocity and heat flux for both laminar and turbulent flows. The final deformation is greater when… More >

Rodica Borcia¹, Michael Bestehorn²

FDMP-Fluid Dynamics & Materials Processing, Vol.6, No.1, pp. 1-12, 2010, DOI:10.3970/fdmp.2010.006.001

Abstract We study numerically the fully nonlinear evolution of thin liquid films on solid supports in three spatial dimensions. A phase field model is used as mathematical tool. Homogeneous and inhomogeneous substrates are taken into account. For flat homogeneous substrates the stability of thin liquid layers is investigated under the action of gravity. The coarsening process at the solid boundary can be controlled on inhomogeneous substrates. On substrates chemically patterned in an adequate way with hydrophobic and hydrophilic spots (functional surfaces), one can obtain stable regular liquid droplets as final dewetted morphology. More >

Akira Hirata¹

FDMP-Fluid Dynamics & Materials Processing, Vol.3, No.3, pp. 203-230, 2007, DOI:10.3970/fdmp.2007.003.203

Abstract This article is a summary of author's typical research works (over the last four decades) on interphase transport phenomena in the presence of interfacial fluid motion and surface tension gradients on liquid-fluid interfaces, and related applications to single crystal growth and microgravity sciences. A unified theory for momentum, heat and mass transfer on liquid-fluid and solid-fluid interfaces is proposed, which takes into account interface mobility. It is shown that interface contamination and turbulence can be well explained, respectively, by suppression and enhancement of the interfacial velocity induced by surface tension gradients. Transport phenomena on solid spheres, liquid drops and gas… More >

Marcello Lappa¹

FDMP-Fluid Dynamics & Materials Processing, Vol.1, No.3, pp. 213-234, 2005, DOI:10.3970/fdmp.2005.001.213

Abstract The physical properties of many emulsions and metal alloys strongly depend on the multiphase morphology which is controlled to a great degree by particle-particle interaction during the related processing. In the present article significant effort is devoted to illustrate the philosophy of modeling for these phenomena and some insights into the physics. Within such a context working numerical techniques that have enjoyed a widespread use over recent years are presented and/or reviewed. Finally a focused and critical comparison of these possible approaches is reported illustrating advantages and disadvantages, strengths and weaknesses, past history and future directions. More >