A Molecular Dynamics Simulation: the Effect of Finite Size on the Thermal Conductivity in a Single Crystal Silicon

Non-equilibrium molecular dynamics (NEMD) simulations are performed to calculate thermal conductivity. The environment-dependent interatomic potential (EDIP) potential on crystal silicon is adopted as a model system. The issues are related to nonlinear response, local thermal equilibrium and statistical averaging. The simulation results by non-equilibrium molecular dynamics show that the calculated thermal conductivity decreases almost linearly as the film thickness reduced at the nanometre scale. The effect of size on the thermal conductivity is also obtained by a theoretic analysis of the kinetic theory and formulas of the heat capacity. The analysis reveals that the contributions of phonon mean free path (MFP) and phonon number in a finite cell to thermal conductivity are very important.

Effect of dentin tubules on the mechanical properties of dentin - part III: Numerical, analysis

Imitating a real tooth and the periodontal supporting tissues, we have established a 2D finite element model and carried out a numerical analysis based on the inhomogeneous and anisotropic (IA) stress-strain relation and strength model of dentin proposed in the preceding Parts I and II, and the conventional homogeneous and isotropic (III) model, respectively. Quite a few cases of loadings for a non-defected and a defected tooth are considered. The numerical results show that the stress level predicted by the IA model is remarkably higher than that by the III model, revealing that the effect of the dentin tubules should be taken into a serious consideration from the viewpoint of biomechanics.

Effect of surface tension on the mode selection of vertically excited surface waves in a circular cylindrical vessel

Singular perturbation theory of two-time-scale expansions was developed in inviscid fluids to investigate patternforming, structure of the single surface standing wave, and its evolution with time in a circular cylindrical vessel subject to a vertical oscillation. A nonlinear slowly varying complex amplitude equation, which involves a cubic nonlinear term, an external excitation and the influence of surface tension, was derived from the potential flow equation. Surface tension was introduced by the boundary condition of the free surface in an ideal and incompressible fluid. The results show that when forced frequency is low, the effect of surface tension on the mode selection of surface waves is not important. However, when the forced frequency is high, the surface tension cannot be neglected. This manifests that the function of surface tension is to cause the free surface to return to its equilibrium configuration. In addition, the effect of surface tension seems to make the theoretical results much closer to experimental results.

Effect of Fe content on the thermal stability and dynamic mechanical behavior of NdAlNiCu bulk metallic glasses

The dependence of microstructure and thermal stability on Fe content of bulk Nd60Al10Ni10Cu20-xFex (0 less than or equal to x less than or equal to 20) metallic glasses is investigated by means of differential scanning calorimetry (DSC), X-ray diffraction (XRD) and high-resolution transmission electron micrograph (HRTEM). All samples exhibit typical amorphous feature under the detect limit of XRD, however, HRTEM results show that the microstructure of Nd60Al10Ni10Cu20-xFex alloys changes from a homogeneous amorphous phase to a composite structure consisting of clusters dispersed in amorphous matrix by increasing Fe content. Dynamic mechanical properties of these alloys with controllable microstructure are studied, expressed via storage modulus, the loss modulus and the mechanical damping. The results reveal that the storage modulus of the alloy without Fe added shows a distinct decrease due to the main a relaxation. This decrease weakens and begins at a higher temperature with increasing Fe content. The mechanism of the effect of Fe addition on the microstructure and thermal stability in this system is discussed in terms of thermodynamics viewpoints. (C) 2004 Elsevier B.V. All rights reserved.

Effect of quasicrystalline phase on the deformation behavior of Zr62Al9.5Ni9.5Cu14Nb5 bulk metallic glass

Quasicrystalline phase with different volume fraction were formed by isothermally annealing the as-castZr(62)Al(9.5)Ni(9.5)Cu(14)Nb(5) bulk metallic glass at 723 K for different times. The effects of quasicrystals on the deformation behavior of the materials were studied by nanoindentation and compression test. It revealed that the alloys with homogeneous amorphous structure exhibit pronounced flow serrations during the nanoindentation loading, while no obvious flow serration is observed for the sample with quasicrystals more than 10 vol.%. However, further compression tests confirm that the no-serrated flows are formed due to different reasons. For annealed samples containing quasicrystals less than 35 vol.%, continuous plastic deformation occurs due to propagation of multiple shear bands. While the disappearance of serrated flow cannot be explained by the generation of multiple shear bands for samples containing quasicrystals more than 35 vol.%, which will fracture with a totally different fracture mode, namely, dimple fracture mode under loading instead of shear fracture mode. (c) 2005 Published by Elsevier B.V.

The effect of thermal-activation on dislocation processes at an atomistic crack-tip

The effects of thermal activation on the dislocation emission from an atomistic crack tip are discussed, Molecular dynamics simulations at different constant temperatures are carried out to investigate the thermal effects. The simulated results show that the processes of the partial dislocation generation and emission are temperature dependent. As the temperature increases, the incipient duration of the partial dislocation nucleation becomes longer, the critical stress intensity factor for partial dislocation emission is reduced and, at the same loading level, more dislocations are emitted. The dislocation velocity moving away from the crack tip and the separations of partial dislocations are apparently not temperature dependent. The simulated results also show that, as the temperature increases, the stress distribution along the crack increases slightly. Therefore stress softening at the crack tip induced by thermal activation does not exist in the present simulation. A simple model is proposed to evaluate the relation of the critical stress intensity factor versus temperature. The obtained relation is in good agreement with our molecular dynamics results.

The effect of the surface tension on non-propagating solitary waves

In this paper, the effect of the surface tension is considered carefully in the study of non-propagating solitary waves. The parameter plane of the surface tension and the fluid depth is divided into three regions; in two of them a breather soliton can be produced. In literature the parameters of breather solitons are all in one of the parameter regions. The new region reported here has been confirmed by our experiments. In the third region, the theoretical solution is a kink soliton, but a kind of the non-propagating solitary wave similar to the breather soliton was found in our experiments besides the kink soliton.