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Surface Elements (surface + element)
Selected AbstractsMonte Carlo Simulation of Degradation of Porous Poly(lactide) Scaffolds, 1MACROMOLECULAR THEORY AND SIMULATIONS, Issue 9 2006Effect of Porosity on pH Abstract Summary: Monte Carlo method was used to simulate the degradation of porous PLA scaffolds. The simulated volume was assumed to be divided homogeneously between the pore and solid PLA with the ratio equal to the bulk porosity of the scaffold. The volume was divided into surface and bulk elements where the surface elements were in direct contact with the aqueous degradation medium, while the bulk elements were surrounded by the pore and solid PLA. The effect of degradation time on PLA ester groups and carboxylic acid end-groups for surface and bulk elements, pH, PLA degradation rate and mass loss, and PLA molecular weight distribution was simulated. For surface elements, pH remained constant at 7.4 over the entire time of degradation, while for bulk elements its value decreased significantly to as low as 5.8. The highest drop in pH within the scaffold was observed for the highest porosity of 90%. There was a lag time of at least 7 weeks in the mass loss for surface as well as bulk elements for porosities ranging from 70 to 90%. The mass loss for bulk elements was considerably faster than the surface elements. This difference in the rate of mass loss between the surface and bulk elements could affect the 3D morphology and dimensional stability of the scaffold in vivo as degradation proceeds. The simulation predicts that, due to differences in the rate of bulk and surface degradation, hollow structures could form inside the scaffold after 19, 17, and 15 weeks for initial porosities of 70, 80, and 90%, respectively. A schematic diagram illustrating the degradation of an element on the outer surface of the scaffold (surface element) versus an element within the volume of the scaffold (bulk element). [source] Localized remeshing techniques for three-dimensional metal forming simulations with linear tetrahedral elementsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, Issue 5 2006Il-Heon Son Abstract The localized remeshing technique for three-dimensional metal forming simulations is proposed based on a mixed finite element formulation with linear tetrahedral elements in the present study. The numerical algorithm to generate linear tetrahedral elements is developed for finite element analyses using the advancing front technique with local optimization method which keeps the advancing fronts smooth. The surface mesh generation using mesh manipulations of the boundary elements of the old mesh system was made to improve mesh quality of the boundary surface elements, resulting in reduction of volume change in forming simulations. The mesh quality generated was compared with that obtained from the commercial CAD package for the complex geometry like lumbar. The simulation results of backward extrusion and bevel gear and spider forgings indicate that the currently developed simulation technique with the localized remeshing can be used effectively to simulate the three-dimensional forming processes with a reduced computation time. Copyright © 2006 John Wiley & Sons, Ltd. [source] Photoluminescent Nanoparticle Surfaces: The Potential of Alkaline Earth Oxides for Optical Applications,ADVANCED MATERIALS, Issue 24 2008Andreas Sternig The surfaces of alkaline earth oxides emit bright, colored light and have potential as thermally stable inorganic phosphors with adsorption-dependent optical properties. The doping of thermally stable MgO nanocubes with low-coordinated BaO surface elements (see figure) clearly demonstrates that chemical manipulation of the solid,gas interface provides an efficient means to adjust the optical properties of powders in controlled gas atmospheres. [source] Fringe element reconstruction for front tracking for three-dimensional incompressible flow analysisINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 6 2005Du-Soon Choi Abstract Fringe element reconstruction technique for tracking the free surface in three-dimensional incompressible flow analysis was developed. The flow field was calculated by the mixed formulation based on a four-node tetrahedral element with a bubble function at the centroid (P1+/P1). Since an Eulerian approach was employed in this study, the flow front interface was advected by the flow through a fixed mesh. For accurate modelling of interfacial movement, a fringe element reconstruction method developed can provide not only an accurate treatment of material discontinuity but also surface tension across the interface. The effect of surface tension was modelled by imposing tensile stress directly on the constructed surface elements at the flow front interface. To verify the numerical approach developed, the developed algorithm was applied to two examples whose solutions are available in references. Good agreement was obtained between the simulation results and these solutions. Copyright © 2005 John Wiley & Sons, Ltd. [source] Effects on titanium implant surfaces of chemical agents used for the treatment of peri-implantitisJOURNAL OF BIOMEDICAL MATERIALS RESEARCH, Issue 1 2010Krisztina Ungvári Abstract The treatment of peri-implantitis, which causes tissue deterioration surrounding osseointegrated implants, involves surface decontamination and cleaning. However, chemical cleaning agents may alter the structure of implant surfaces. We investigated three such cleaning solutions. Commercially pure (grade 4) machined titanium discs (CAMLOG Biotechnologies AG, Switzerland) were treated with 3% H2O2 (5 min), saturated citric acid (pH = 1) (1 min) or chlorhexidine gel (5 min), and their surface properties were examined by atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS). Human epithelial cell attachment (24-h observation) and proliferation (72-h observation) were investigated via dimethylthiazolyl-diphenyltetrazolium bromide (MTT) and bicinchoninic acid (BCA) protein content assays. AFM revealed no significant difference in roughness of the three treated surfaces. XPS confirmed the constant presence of typical surface elements and an intact TiO2 layer on each surface. The XPS peaks after chlorhexidine gel treatment demonstrated CO and/or CO bond formation, due to chlorhexidine digluconate infiltrating the surface. MTT and BCA assays indicated similar epithelial cell attachments in the three groups; epithelial cell proliferation being significantly higher after H2O2 than after chlorhexidine gel treatment (not shown by BCA assays). These agents do not harm the Ti surface. Cleaning with H2O2 slightly enhances human epithelial cell growth, in contrast to chlorhexidine gel. © 2010 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2010. [source] A precise boundary element method for macromolecular transport propertiesJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 9 2004Sergio Aragon Abstract A very precise boundary element numerical solution of the exact formulation of the hydrodynamic resistance problem with stick boundary conditions is presented. BEST, the Fortran 77 program developed for this purpose, computes the full transport tensors in the center of resistance or the center of diffusion for an arbitrarily shaped rigid body, including rotation-translation coupling. The input for this program is a triangulation of the solvent-defined surface of the molecule of interest, given by Connolly's MSROLL or other suitable triangulator. The triangulation is prepared for BEST by COALESCE, a program that allows user control over the quality and number of triangles to describe the surface. High numerical precision is assured by effectively exact integration of the Oseen tensor over triangular surface elements, and by scaling the hydrodynamic computation to the precise surface area of the molecule. Efficiency of computation is achieved by the use of public domain LAPACK routines that call BLAS Level 3 hardware-optimized subroutines available for most processors. A protein computation can be done in less than 10 min of CPU time in a modern Pentium IV processor. The present work includes a complete analysis of the sources of error in the numerical work and techniques to eliminate these errors. The operation of BEST is illustrated with applications to ellipsoids of revolution, and Lysozyme, a small protein. The typical numerical accuracy achieved is 0.05% compared to analytical theory. The numerical precision for a protein is better than 1%, much better than experimental errors in these quantities, and more than 10 times better than traditional bead-based methods. © 2004 Wiley Periodicals, Inc. J Comput Chem 9: 1191,1205, 2004 [source] Monte Carlo Simulation of Degradation of Porous Poly(lactide) Scaffolds, 1MACROMOLECULAR THEORY AND SIMULATIONS, Issue 9 2006Effect of Porosity on pH Abstract Summary: Monte Carlo method was used to simulate the degradation of porous PLA scaffolds. The simulated volume was assumed to be divided homogeneously between the pore and solid PLA with the ratio equal to the bulk porosity of the scaffold. The volume was divided into surface and bulk elements where the surface elements were in direct contact with the aqueous degradation medium, while the bulk elements were surrounded by the pore and solid PLA. The effect of degradation time on PLA ester groups and carboxylic acid end-groups for surface and bulk elements, pH, PLA degradation rate and mass loss, and PLA molecular weight distribution was simulated. For surface elements, pH remained constant at 7.4 over the entire time of degradation, while for bulk elements its value decreased significantly to as low as 5.8. The highest drop in pH within the scaffold was observed for the highest porosity of 90%. There was a lag time of at least 7 weeks in the mass loss for surface as well as bulk elements for porosities ranging from 70 to 90%. The mass loss for bulk elements was considerably faster than the surface elements. This difference in the rate of mass loss between the surface and bulk elements could affect the 3D morphology and dimensional stability of the scaffold in vivo as degradation proceeds. The simulation predicts that, due to differences in the rate of bulk and surface degradation, hollow structures could form inside the scaffold after 19, 17, and 15 weeks for initial porosities of 70, 80, and 90%, respectively. A schematic diagram illustrating the degradation of an element on the outer surface of the scaffold (surface element) versus an element within the volume of the scaffold (bulk element). [source] Semiconducting Mineralogical Characteristics of Natural Sphalerite Gestating Visible-light PhotocatalysisACTA GEOLOGICA SINICA (ENGLISH EDITION), Issue 3 2009Yan LI Abstract: Natural sphalerite as a natural cost-effective photocatalyst was characterized and its visible light photocatalytic activity was investigated in terms of substituting ions, impurity phases and surface defects. The substitutions of metal ions for Zn2+ alter the band structure and result in the visible light response. The coexistence of impurity semiconductors and nanosized particles in natural sphalerite samples help to prolong the lifetime of electron-hole pairs. The cleavage planes and fracture surfaces improve the photocatalytic activity of natural sphalerite by providing more active sites than perfect faces. Both the negative charge defects from the non-isoelectronic substitutions and surface elements with variable chemical valence suppressed the recombination of electron-hole pairs by their possible role of capturing photogenerated holes. [source] | |||||||||||||