CMES-Vol. 98, No. 3, 2014

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 >

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A Computational Modeling Framework for Heat Transfer Processes in Laser-Induced Dermal Tissue Removal
T.I. Zohdi¹
CMES-Computer Modeling in Engineering & Sciences, Vol.98, No.3, pp. 261-277, 2014, DOI:10.32604/cmes.2014.098.261
Abstract A widespread use of lasers is for the ablation of biological tissue, in particular for dermal applications involving the removal of cancerous tissue, skin spots, aged skin and wrinkles. For a laser to ablate tissue, the power intensity must be sufficiently high to induce vaporization/burning of the target material. However, if performed improperly, the process can cause excessive microscale thermal injuries to surrounding healthy tissue. This motivates the present work, which attempts to develop and assemble simple models for the primary heat transfer mechanisms that occur during the process. First, in order to qualitatively understand… More >

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Activation Pattern of Nuclear Factor-kB in Skin after Mechanical Stretch – a Multiscale Modeling Approach
V.B.Shim ¹, K. Mithraratne ¹
CMES-Computer Modeling in Engineering & Sciences, Vol.98, No.3, pp. 279-294, 2014, DOI:10.32604/cmes.2014.098.279
Abstract The activation of NF-kB is an important precursor in developing melanoma. However the role of mechanical stimulation in the NF-kB activation has not been studied. We used a multiscale computational modeling approach to investigate the role of mechanical stimulation and the skin tissue internal structures in the activation of NF-kB. Our model is made up of three levels – 1) the macro level where a FE model of the Zygomaticus major muscle was developed; 2) the meso level where a micro FE model of the skin block using a sample from human cadaver was developed;… More >

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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. Bortz^4,5
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 >

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Hybrid Simulation and Observation of Human Vertebral Endplate Morphology
É. Budyn¹, A. Bilagi², V. Subramanian³, A.A. Espinoza Orías⁴, N. Inoue⁴
CMES-Computer Modeling in Engineering & Sciences, Vol.98, No.3, pp. 341-374, 2014, DOI:10.32604/cmes.2014.098.341
Abstract Focal damage such as cartilaginous defects, erosions, micro-fractures, Schmorl nodes and thinning in the human vertebral endplate are thought to contribute to intervertebral disc degeneration by compromising the nutrition transport between the vertebral bone marrow and the disc nucleus pulposus. However, microfractures in the endplate are currently not detectable by conventional clinical radiographic methods. Nonetheless high quality visualisation of the human endplate is possible by means of advanced light microscopy and appropriate staining. The objective of this study focuses on efficient and inexpensive multi-scale protocols to prepare the surfaces of human endplate specimens for morphometric… More >

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