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  • Phase Transformation Behavior of C60 Fullerene under Atmospheric Pressure
  • Abstract The phase transformation behaviors of C60 fullerene under atmospheric pressure are reported using a proposed thermostat molecular dynamics method designed for a solid system. We find that C60 fullerene directly undergoes a solid-vapor phase transformation, instead of a solid-liquid phase transition, at a specific threshold temperature. It reveals that C60 fullerene will sublimate when heated rather than melt under atmospheric pressure. This phenomenon is coincident with that of graphite at pressures below 10MPa. The sublimation point of C60 fullerene, rather than the melting, is about 4350o20K, locating in the published range of about 4000-4500K for graphite at pressures below 10…
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  • Numerical Analysis of Composite Panels in the Post-Buckling Field taking into account Progressive Failure
  • Abstract The research here presented shows the numerical results for progressive failure of stiffened composite panels into the post-buckling field. In particular, a strength reduction procedure is implemented in the commercial finite element code ABAQUS where the stiffness properties of the material are removed in the failed areas. The results show a good correlation with experimental data obtained from a post-buckling test of a stiffened panel with a notch, that can be found in literature.
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  • The Theory of Critical Distances and the estimation of notch fatigue limits: L, a0 and open notches
  • Abstract This paper investigates some practical aspects related to the use of the Theory of Critical Distances (TCD) when employed to estimate notch fatigue limits. The accuracy of different formalisations of the theory was checked by using experimental data taken from the literature. This exercise allowed us to confirm that the simplest formalisation of the TCD, in which both critical distance and critical stress are material constants [1], is also the most accurate one, giving predictions falling within an error interval of about ±20%. The TCD is also accurate when applied to notches having large opening angles.
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  • Implement and validation of Viscous Numerical Wave Flume Based on Finite Element Method and CLEAR-VOF Method
  • Abstract This work describes the numerical implements of a two-dimensional viscous numerical wave flume, which is based on the Finite Element Method (FEM), Computational lagrangian-Eulerian Advection Remap Volume of Fluid Method (CLEAR-VOF), internal wave generation and artificial wave damping technique. Owning to the inherent consistence of CLEAR-VOF with FEM, the present numerical model allows the simulations of wave propagation and interaction with structures to be simulated with irregular mesh partition. The present numerical wave flume is validated by several applications in comparisons with available experimental data and numerical results, including the problems of standing wave trains in front of vertical wall,…
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  • Multi-scale simulation of structures within the Arlequin framework
  • Abstract The Arlequin method was first proposed by Ben Dhia aiming to provide an efficient analysis of engineering structures with some local-global property. Using reliable energy partition function and coupling operators, the Arlequin method can be used to couple two different mechanical states to conduct multi-scale or multi-model simulations.
    This study explores the various applications of the Arlequin method to multi-scale or multi-model simulation of structures. The Arlequin method has been implemented into the large commercial finite element software ABAQUS by using the user defined elements (UELs). The 1D, 2D and 3D UELs have been systematically developed within the Lagrange-multipler…
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  • Towards computational design of Fe(II) chromophores for solar energy conversion
  • Abstract The Sun is an abundant source of energy capable of meeting all our energy needs if properly harvested. Some of the ways to utilize solar energy is conversion of sunlight to electricity via photovoltaic solar cells or to chemical fuels via photocatalytic synthetic cells. Many of such systems are designed around a photoactive molecule (a chromophore) anchored to a semiconductor. The conversion of sunlight to electricity occurs via absorption of light by the chromophore, followed by the interfacial electron transfer between the chromophore and semiconductor. We investigate the use of Fe(II)-polypyridine compounds as chromophores in the molecular assemblies for solar…
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  • A Vision-based Displacement Measurement Method for Structural Health Monitoring of Large-scale Infrastructures
  • Abstract A vision-based displacement measurement method for structural health monitoring of large-scale infrastructures such as high-rise buildings and long-span bridges is presented. The method uses digital image processing techniques including a target recognition algorithm, projection of the captured image, and calculation of the actual displacement using target geometry and the number of pixels moved. To measure the displacement of a flexible structure from a distant location which can be regarded as a fixed reference point, a novel image processing method has been devised by means of successive estimation of relative displacement and rotational angle using a synchronized vision-based system. By measuring…
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  • The measurement method of node density and its application
  • Abstract When the set of nodes distributed randomly is applied to approximate function, the size of the domain support of point has a great influence on the validity and accuracy of approximation. In order to study the radius of the support domain, this paper gives a new concept of the node density firstly, which not only can characterize the density level of distribution of the node and its calculation algorithm is simple, but also is easy to determine the radius of the support domain; Secondly, based on the concept of the node density, an algorithm which is used to search nodes…
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  • Three dimensional acoustic shape sensitivity analysis accelerated by fast multipole boundary element method
  • Abstract A fast multipole boundary element method is presented for three dimensional acoustic shape sensitivity analysis in this study. The Burton-Miller formula which is a linear combination of the conventional boundary integral equation and the normal derivative boundary integral equation is adopted to conquer the fictitious eigenfrequency problem associated with the conventional boundary integral equation method in solving exterior acoustic problems. The continuous adjoint variable method is implemented in the sensitivity analysis and the concept of material derivative is used in the derivation. Constant elements are employed to discretize the boundary so that the hypersingular boundary integrals contained in the formulae…
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