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  • Open Access

    ABSTRACT

    Mechanism study of TiO2 nanowire tensile behaviors via molecular dynamics simulations

    L. Dai1, V.B.C. Tan1,2, C.H. Sow1,3, C.T. Lim1,2,4, W.C.D. Cheong5

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.9, No.3, pp. 151-162, 2009, DOI:10.3970/icces.2009.009.151

    Abstract The mechanisms governing the tensile response of TiO2 nanowires were studied by molecular dynamics simulations. The free side surfaces of the nanowires were found to be undulating because atoms near the free surface were relaxed into a disordered state during thermodynamic equilibration. For wires below a threshold diameter of around 10 Å, this free surface effect extends throughout the entire wire, resulting in a complete lack of ordered structure. For thick nanowires, the core of the wire retains a crystalline structure. The thicker the wire, the larger the crystalline core and the more dominant is its More >

  • Open Access

    ABSTRACT

    A Framework for Parallel Adaptive FEM Computations with Dynamic Load Balancing

    Z. Bittnar1, B. Patzák1, D. Rypl1

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.13, No.3, pp. 55-56, 2009, DOI:10.3970/icces.2009.013.055

    Abstract This paper deals with the design of framework for adaptive FEM analysis with dynamic load balancing in nondedicated parallel cluster computing environments. It describes in detail the structure and design of individual components of the framework.
    The application of adaptivity paradigm to engineering problems results in computationally very demanding analysis in terms of both computational time and computer resources (memory, disk space, etc.). These demands can be alleviated by performing the analysis in a parallel computing environment. Typical parallel application decreases the demands on memory and other resources by spreading the task over several mutually… More >

  • Open Access

    ABSTRACT

    Fractional diffusion-advection and pattern formations of MinE Protein dynamics in Escherichia coli: experiments and theories

    Sitta Aroonnual Paisan Kanthang, Wannapong Triampo1

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.13, No.3, pp. 53-54, 2009, DOI:10.3970/icces.2009.013.053

    Abstract How does a cell successfully divide is one of very fundamental questions in biological and medical science especially concerning mechanism. With this regards, MinE proteins are very important for Escherichia coli cell division process because it supports FtsZ proteins to form at mid-cell which lead to cell division at that region. In this work, we quantitatively studied the physical properties of MinE protein clusters including pattern formations and dynamic motions using both theoretical and experimental approach. Experimentally, through the spot tracking technique (STT) and diffusion analysis, it was found that MinE globally performed oscillatory motion from… More >

  • Open Access

    ABSTRACT

    Role of distortional and warping stiffness of end regions at 3D performance of concrete bridges

    Z. Bittnar, L. Vrablik, M. Polak, V. Kristek1

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.13, No.2, pp. 43-48, 2009, DOI:10.3970/icces.2009.013.043

    Abstract Detail structural and dynamic analysis of concrete suspended bridge structure in Prague which was assessed because of severe damages of parapets and expansion joints is presented. Measured and calculated results are compared and approaches to repairing and stiffening are also recommended. More >

  • Open Access

    ABSTRACT

    An Investigation into Atomic Scale Forming Mechanism and Friction Characteristics in Direct Nanoimprint by Molecular Dynamics Simulation

    Chih-Wei Hsieh1, Chien-Li Wu1, Cheng-Kuo Sung1,2

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.13, No.2, pp. 33-34, 2009, DOI:10.3970/icces.2009.013.033

    Abstract Molecular dynamics (MD) simulation has been demonstrated as a promising method to analyze formation and friction mechanisms of the nanoimprint process. Especially, it provides a useful tool for investigating critical issues that are generally difficult to be examined by the experiment because of cross talks among influential factors or attainability of direct measurement. This study utilized the friction mechanism to explore the factors that would affect the quality of mold replication in the direct nanoimprint. Those factors included mechanical properties of thin films, interaction force between mold and thin-film materials, and surface roughness of the… More >

  • Open Access

    ABSTRACT

    Molecular Dynamics Simulations of Carbon Nanotubes Cross-Bonding by Proton Irradiation

    N. J. Lee, C.R. Welch1

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.13, No.1, pp. 11-12, 2009, DOI:10.3970/icces.2009.013.011

    Abstract Carbon nanotubes have significant potential as the basis for super infrastructure material. The shear modulus of carbon nanotube ensembles is relatively low, comparable to graphite, as the carbon nanotubes interact via weak van der Waals forces. Unmodified, their intermolecular interactions are insufficient to take full advantage of the extraordinarily high strengths predicted for carbon nanotube-based fibers. Thus, a key to their use in high-strength materials is developing strong bonds between these molecules. In this study, we examine the potential development of covalent bonds between carbon nanotube pairs cross-bonded by proton bombardment using molecular dynamics simulation. More >

  • Open Access

    ABSTRACT

    Dynamic analysis of asymmetrically laminated composite frames

    Fuxing Miao1, Guojun Sun1

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.12, No.3, pp. 93-94, 2009, DOI:10.3970/icces.2009.012.093

    Abstract Based on elastic wave theory, Pao[1] and his colleagues recently proposed a novel frequency domain matrix method, i.e. the Method of Reverberation-Ray Matrix (MRRM) for solving the transient response of truss-type structures. The theory has been shown accurately coincided with experimental data of a model truss for the early responses.
    Fiber reinforced laminated composites have advantages such as high specific strength, high specific stiffness, corrosion resistance etc.. The dynamic as well as the static behavior of laminated composites is largely dependent upon fiber orientation and ply-stacking sequence. Due to inhomogeneity and anisotropy of the material, these… More >

  • Open Access

    ABSTRACT

    On the molecular dynamics analysis of defect effect on mechanical properties and fracture behaviors of carbon nanotubes

    Hsien-Chie Cheng1, Yu-Chen Hsu2, Wen-Hwa Chen2

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.12, No.2, pp. 73-74, 2009, DOI:10.3970/icces.2009.012.073

    Abstract Due to the limitation of fabrication technologies nowadays, initial defects in carbon nanotubes (CNTs) are inevitably perceived particularly during the manufacturing process or chemical treatment. The investigation of the effects of initial defects existing in CNTs on their mechanical properties and fracture behaviors becomes essential for their potentiality in engineering applications.
    In this study, the defect effects, including number in percentage, type, and location, are explored using the molecular dynamics (MD) simulation with Tersoff Brenner potential. Results show that the mechanical properties, such as the elastic modulus, failure strength and strain, are strongly affected by the… More >

  • Open Access

    ABSTRACT

    Effect of cross flow on aerodynamics of a commercial airplane

    Yangkyun kim1, Sungcho Kim2, Jongwook Choi2, Jeong Soo Kim2

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.11, No.4, pp. 123-124, 2009, DOI:10.3970/icces.2009.011.123

    Abstract This paper analyzes computationally the flow field for the full geometry model of a commercial passenger airplane, Boeing747-400. The geometric dimension of an airplane was acquired by means of the reverse engineering technique adopting the photo scanning measurement. The steady three-dimensional viscous compressible flow field was calculated when the airplane cruises under side flow. The basic computational conditions were considered as the same to those of Boeing 747-400's cruising state, i.e., the atmospheric condition at 13 km above the sea level and Mach number of 0.85. The boundary conditions are the same that the freestream… More >

  • Open Access

    ABSTRACT

    Dynamic simulation of the recoil mechanism on artillery weapons

    T. Y. Lin, H. C. Ping, T. Y. Yang, C. T. Chan, C. C. Yang1

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.11, No.4, pp. 115-122, 2009, DOI:10.3970/icces.2009.011.115

    Abstract The artillery weapons have been developed from the thirteenth century to the present. Generally, it contains a gun body and a gun mount. The gun body consists of a barrel, a breech, a breechblock, and a muzzle brake. In addition, the gun mount is composed of recoil mechanisms, elevating mechanisms, traversing mechanisms, and supporting parts. Among these parts, the muzzle brake and recoil mechanism can reduce the mass recoil force during firing, and push the gun body back to the original position after firing. Before the mid-nineteenth century, general guns did not assemble any device More >

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