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  • Open Access

    ARTICLE

    Mechanical Strength and Structural Basis of β2 Integrin to Mediate Neutrophil Accumulation on Liver Sinusoidal Endothelial Cells: A Study Using Atomic Force Microscopy and Molecular Dynamics Simulations

    Ning Li1, 2, 3, Xiao Zhang1, 2, Peiwen Li1, 2, Hao Yang1, 2, Chunfang Tong1, 2, Shouqin Lü1, 2, Yan Zhang1, 2, Zhiyi Ye3, Jun Pan3, *, Mian Long1, 2, *

    CMES-Computer Modeling in Engineering & Sciences, Vol.116, No.2, pp. 263-279, 2018, DOI:10.31614/cmes.2018.04079

    Abstract Neutrophil (PMN) accumulation on liver sinusoidal endothelial cells (LSECs) is crucial to pathogen clearance and tissue damage in the liver sinusoids and controlled by a series of adhesion molecules expressed on the surface of PMNs and LSECs. The role of lymphocyte function-associated antigen-1 (LFA-1) and macrophage-1 antigen (Mac-1) in this process is still contentious. Here we compared the dynamic force spectra of the binding of β2 integrin to intercellular adhesion molecule-1 (ICAM-1) on LSECs using atomic force microscopy (AFM) and performed free and steered molecular dynamics (MD) simulations to analyze their structural bases of LFA-1-… More >

  • Open Access

    ARTICLE

    SIMULATIONS OF HYPERSONIC FLOW PAST A RE-ENTRY CAPSULE USING DSMC METHOD

    R.V. Reji, S. Anil Lal

    Frontiers in Heat and Mass Transfer, Vol.7, pp. 1-8, 2016, DOI:10.5098/hmt.7.27

    Abstract DSMC simulation of re-entry of an object with shape and size close to that of ISRO’s Space Recovery Experiment (SRE) capsule has been analysed using the open-source tool dsmcFoam for three altitude conditions, viz. 85 km, 100 km and 115 km, and for three angles of attack, viz. 0 o , 20o&40o . The hypersonic free stream velocity of 8000 m/s and boundary surface temperature of 300 K have been used for the simulations. The variation of parameters such as surface heat flux, surface pressure, shear stress, slip velocity, temperature jump and integrals such as More >

  • Open Access

    ARTICLE

    A Probabilistic Approach to Hazard Mapping Based on Computer Simulations. An Example for Lava Flows at Mount Etna

    R. Rongo1,2, D. D’Ambrosio1,2, G. Iovine2,3, F. Lucà4, V. Lupiano5, V.P.Boñgolan6, W. Spataro1,2

    CMES-Computer Modeling in Engineering & Sciences, Vol.109-110, No.2, pp. 105-130, 2015, DOI:10.3970/cmes.2015.109.105

    Abstract Determining sectors that could be affected by lava flows in volcanic areas is essential for risk mitigation purposes. Traditionally, when adopting methods based on probabilistic numerical simulations, the hazard is assessed by analysing a huge set of simulations of hypothetical events, each characterized by a distinct probability of occurrence based on statistics of historical events. If lateral or eccentric eruptions are also taken into account, simulated lava flows usually start from the nodes of regular grids of potential vents, uniformly covering the study area. In this study, an alternative approach to evaluate flow-type hazard, based More >

  • Open Access

    ARTICLE

    A New Efficient Matrix Algorithm for a 3D Component Mode Synthesis (CMS) Model Used on Sound Transmission Problems

    M. D. C. Magalhaes1,2

    CMES-Computer Modeling in Engineering & Sciences, Vol.105, No.6, pp. 441-465, 2015, DOI:10.3970/cmes.2015.105.441

    Abstract The main goal of this study is to present an alternative and more efficient algorithm for a three-dimensional Component Mode Synthesis model to be used on sound transmission problems. The influence of fluid-structure interaction on airborne sound transmission problems is analysed using this model, which is based on simple volume geometries. In principle, the same procedure can also be applied when the component modes are obtained from alternative numerical techniques. The modal behaviour of acoustic volumes and a partition is implemented in two steps. The novelty of this alternative model is that the structural modes More >

  • Open Access

    ARTICLE

    Turbulent Inlet Conditions Modeling using Large-eddy Simulations

    M.M.R. Damasceno1, J.M. Vedovoto1, A. da Silveira-Neto1

    CMES-Computer Modeling in Engineering & Sciences, Vol.104, No.2, pp. 105-132, 2015, DOI:10.3970/cmes.2015.104.105

    Abstract Turbulence is a phenomenon which presents peculiarities when it is experimented or simulated. This occurs due to its complexity and high sensibility to the inlet conditions of the turbulent flow fields, as well as the presence of a large range of time and length scales. A simplification for this situation is obtained with the use of approximations and turbulence models. In the present work, the Largeeddy Simulations methodology was applied, aiming the modeling of the previously mentioned complexity, which consists in using a filter to resolve the large scales while the remaining scales were determined More >

  • Open Access

    ARTICLE

    EX VIVO LIVER TISSUE RADIOFREQUENCY THERMAL ABLATION: IR MEASUREMENTS AND SIMULATIONS

    Edoardo Gino Macchi* , Giovanni Braschi, Mario Gallati

    Frontiers in Heat and Mass Transfer, Vol.5, pp. 1-8, 2014, DOI:10.5098/hmt.5.20

    Abstract Radiofrequency thermal ablation (RFTA) is a medical procedure currently widely adopted for liver tumors treatment. Its outcome is strongly influenced by temperature distribution near the RF applicator therefore continuous measurements are required both to validate RFTA numerical models and to better control the outcome of the procedure. The space-time evolution of the thermal field during RFTA on ex vivo porcine liver tissue has been measured by infrared thermal imaging in different experimental setups. A three-dimensional simulation of the whole experiment reproduces all the features of the thermal field measurements and validates the proposed measurement methodology. More >

  • Open Access

    ARTICLE

    Optimization of Johnson-Cook Constitutive Model for Lead-free Solder Using Genetic Algorithm and Finite Element Simulations

    D.S.Liu1, C.L.Hsu1,2

    CMC-Computers, Materials & Continua, Vol.40, No.3, pp. 165-178, 2014, DOI:10.3970/cmc.2014.040.165

    Abstract To ensure the reliability of microelectronics packages, the high strain rate deformation behavior of the solder joints must be properly understood. Accordingly, the present study proposes a hybrid experimental / numerical method for determining the optimal constants of the Johnson-Cook (J-C) constitutive model for 96.5Sn-3Ag-0.5Cu (SAC305) solder alloy. In the proposed approach, FEM simulations based on the J-C model are performed to describe the load-time response of an SAC305 ball solder joint under an impact velocity of 0.5 m/s. The optimal values of the constitutive model are then determined using an iterative Genetic Algorithm approach More >

  • Open Access

    ARTICLE

    Variable Viscosity and Density Biofilm Simulations using an Immersed Boundary Method, Part I: Numerical Scheme and Convergence Results

    Jason F. Hammond1, Elizabeth J. Stewart2, John G. Younger3, Michael J.Solomon2, David M. Bortz4,5

    CMES-Computer Modeling in Engineering & Sciences, Vol.98, No.3, pp. 295-340, 2014, DOI:10.32604/cmes.2014.098.295

    Abstract The overall goal of this work is to develop a numerical simulation which correctly describes a bacterial biofilm fluid-structure interaction and separation process. In this, the first of a two-part effort, we fully develop a convergent scheme and provide numerical evidence for the method order as well as a full 3D separation simulation. We use an immersed boundary-based method (IBM) to model and simulate a biofilm with density and viscosity values different from than that of the surrounding fluid. The simulation also includes breakable springs connecting the bacteria in the biofilm which allows the inclusion… More >

  • Open Access

    ARTICLE

    Molecular Dynamics Simulations of Ions Diffusion in Carbon Nanotubes Embedded in Cell Membrane

    Qing Song Tu1, Michelle Lee2, Samuel Zhang2, Shaofan Li1

    CMES-Computer Modeling in Engineering & Sciences, Vol.98, No.3, pp. 247-259, 2014, DOI:10.32604/cmes.2014.098.247

    Abstract In this paper, we present molecular dynamics simulations of diffusion of Na+, K+, and Cl- ions through the single-walled carbon nanotubes(SWCNTs) that are embedded into the membrane of cells in aqueous solutions. A simplified atomic cell model that considers bilayer membranes is employed to study the transportation of ions inside CNTs. The simulated results indicate that the diffusion properties of ions and selectivity of CNT with respect to ions are affected by biological complexity of the cell membrane. We have found that the ion diffusion only occurs in the CNTs with chirality higher than (8, 8), which More >

  • Open Access

    ARTICLE

    Simulations of Blood Drop Spreading and Impact for Bloodstain Pattern Analysis

    Chu Wang, Lucy T. Zhang1

    CMES-Computer Modeling in Engineering & Sciences, Vol.98, No.1, pp. 41-67, 2014, DOI:10.3970/cmes.2014.098.041

    Abstract Bloodstain pattern analysis (BPA) in forensic science is an important tool to solve crime scenes. The complex dynamic behavior of blood drops poses great challenges for accurate fluid dynamic simulations. In this paper, we specifically focus on simulations of blood drop spreading and impact, which may involve contact line hysteresis and spattering of drops as they interact with solid surfaces. Here, we set up a numerical framework that combines (1) the connectivity-free front tracking (CFFT) method for modeling multiphase (air and liquid) flows and (2) a dynamic contact line model for modeling fluid-solid contact line.… More >

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