Effect of temperature on dislocation emission from crack tip for BCC metal Mo

The effect of thermally activated energy on the dislocation emission from a crack tip in BCC metal Mo is simulated in this paper. Based on the correlative reference model on which the flexible displacement boundary scheme is introduced naturally, the simulation shows that as temperature increases the critical stress intensity factor for the first dislocation emission will decrease and the total number of emitted dislocations increase for the same external load. The dislocation velocity and extensive distance among partial dislocations are not sensitive to temperature. After a dislocation emission, two different deformation slates are observed, the stable and unstable deformation states. In the stable deformation slate, the nucleated dislocation will emit from the crack tip and piles up at a distance far away from the crack tip, after that the new dislocation can not be nucleated unless the external loading increases. In the unstable deformation state, a number of dislocations can be emitted from the crack lip continuously under the same external load.

Source Model for Blasting Vibration

By analyzing and comparing the experimental data, the point source moment theory and the cavity theory, it is concluded that the vibrating signals away from the blasting explosive come mainly from the natural vibrations of the geological structures near the broken blasting area. The source impulses are not spread mainly by the inelastic properties (such as through media damping, as believed to be the case by many researchers) of the medium in the propagation pass, but by this structure. Then an equivalent source model for the blasting vibrations of a fragmenting blasting is proposed, which shows the important role of the impulse of the source's time function under certain conditions. For the purpose of numerical simulation, the model is realized in FEM, The finite element results are in good agreement with the experimental data.

Direct numerical test of the B-G-K model equation by the DSMC method

In the present paper the rarefied gas how caused by the sudden change of the wall temperature and the Rayleigh problem are simulated by the DSMC method which has been validated by experiments both in global flour field and velocity distribution function level. The comparison of the simulated results with the accurate numerical solutions of the B-G-K model equation shows that near equilibrium the BG-K equation with corrected collision frequency can give accurate result but as farther away from equilibrium the B-G-K equation is not accurate. This is for the first time that the error caused by the B-G-K model equation has been revealed.

A Dynamic Loading Device for Suction Foundations in Centrifuge Modeling

Suction bucket foundations are widely used in the offshore platform for the exploitation of the offshore petroleum and natural gas resources. During winter seasons, ice sheets formed in Bohai Bay will impose strong impact and result in strong vibration on the platform. This paper describes a dynamic loading device developed on the geotechnical centrifuge and its application in modeling suction bucket foundation under the equivalent ice-induced vibration loadings. Some experimental results are presented. It is shown that when the loading amplitude is over a critical value, the sand at the upper part around the bucket softens or even liquefies. The excess pore pressure decreases from the upper part to the lower part of the sand foundation in vertical direction while decreases from near to far away from the bucket's side wall in the horizontal direction. Large settlements of the bucket and the sand around the bucket occur under the horizontal dynamic loading. The dynamic responses of the bucket with smaller size are heavier.

Research on Dynamic Micro-Deformation under Laser Point Source

The dynamic micro-deformation of the specimen under laser point source is measured using a laser beam reflex amplifier system and numerically simulated by Msc.Marc software. Compared with experimental result and calculated result, the final deformation direction of the specimen depends on the result of the thermal strain and the phase transformation strain cooperation, away from the laser beam or towards the laser beam, the final deformation angle depends on temperature gradient in the thickness direction and the geometry constraint of the specimen. The conclusion lays the foundation for further research on the mechanism of laser bending. At the same time, it is proposed that the model of calculation based on classical Fourier heat transfer theory cannot be enough to simulate the dynamic micro-deformation of the specimen under laser point source, the model of calculation should be modified in the future.

Adsorption of His-tagged peptide to Ni, Cu and Au (100) surfaces: Molecular dynamics simulation

Molecular dynamics (MD) simulations are performed to study the interaction of His-tagged peptide with three different metal surfaces in explicit water. The equilibrium properties are analyzed by using pair correlation functions (PCF) to give an insight into the behavior of the peptide adsorption to metal surfaces in water solvent. The intermolecular interactions between peptide residues and the metal surfaces are evaluated. By pulling the peptide away from the peptide in the presence of solvent water, peeling forces are obtained and reveal the binding strength of peptide adsorption on nickel, copper and gold. From the analysis of the dynamics properties of the peptide interaction with the metal surfaces, it is shown that the affinity of peptide to Ni surface is the strongest, while on Cu and An the affinity is a little weaker. In MD simulations including metals, the His-tagged region interacts with the substrate to an extent greater than the other regions. The work presented here reveals various interactions between His-tagged peptide and Ni/Cu/Au surfaces. The interesting affinities and dynamical properties of the peptide are also derived. The results give predictions for the structure of His-tagged peptide adsorbing on three different metal surfaces and show the different affinities between them, which assist the understanding of how peptides behave on metal surfaces and of how designers select amino sequences in molecule devices design. (c) 2007 Elsevier Ltd. All rights reserved.

A unified model for dislocation nucleation, dislocation emission and dislocation free zone

In this paper, a unified model for dislocation nucleation, emission and dislocation free zone is proposed based on the Peierls framework. Three regions are identified ahead of the crack tip. The emitted dislocations, located away from the crack tip in the form of an inverse pileup, define the plastic zone. Between that zone and the cohesive zone immediately ahead of the crack tip, there is a dislocation free zone. With the stress field and the dislocation density field in the cohesive zone and plastic zone being, respectively, expressed in the first and second Chebyshev polynomial series, and the opening and slip displacements in trigonometric series, a set of nonlinear algebraic equations can be obtained and solved with the Newton-Raphson Method. The results of calculations for pure shearing and combined tension and shear loading after dislocation emission are given in detail. An approximate treatment of the dynamic effects of the dislocation emission is also developed in this paper, and the calculation results are in good agreement with those of molecular dynamics simulations.

Elastodynamic stress-intensity factors for a semiinfinite crack under 3-d combined mode loading

The dynamic stress intensity factor histories for a half plane crack in an otherwise unbounded elastic body are analyzed. The crack is subjected to a traction distribution consisting of two pairs of suddenly-applied shear point loads, at a distance L away from the crack tip. The exact expression for the combined mode stress intensity factors as the function of time and position along the crack edge is obtained. The method of solution is based on the direct application of integral transforms together with the Wiener-Hopf technique and the Cagniard-de Hoop method, which were previously believed to be inappropriate. Some features of solutions are discussed and the results are displayed in several figures.

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.

Elastodynamic stress intensity factor history for a semi-infinite crack under three-dimensional transient loading

The dynamic stress intensity factor history for a semi-infinite crack in an otherwise unbounded elastic body is analyzed. The crack is subjected to a pair of suddenly-applied point loadings on its faces at a distance L away from the crack tip. The exact expression for the mode I stress intensity factor as a function of time is obtained. The method of solution is based on the direct application of integral transforms, the Wiener-Hopf technique and the Cagniard-de Hoop method. Due to the existence of the characteristic length in loading this problem was long believed a knotty problem. Some features of the solutions are discussed and graphical result for numerical computation is presented.

Numerical-simulation of low supersonic-flow around a sphere

The controlled equations defined in a physical plane are changed into those in a computational plane with coordinate transformations suitable for different Mach number M(infinity). The computational area is limited in the body surface and in the vicinities of detached shock wave and sonic line. Thus the area can be greatly cut down when the shock wave moves away from the body surface as M(infinity) --> 1. Highly accurate, total variation diminishing (TVD) finite-difference schemes are used to calculate the low supersonic flowfield around a sphere. The stand-off distance, location of sonic line, etc. are well comparable with experimental data. The long pending problem concerning a flow passing a sphere at 1.3 greater-than-or-equal-to M(infinity) > 1 has been settled, and some new results on M(infinity) = 1.05 have been presented.

The motion and the core structure of a geostrophic vortex - one-time scale inner solution and the motion of the vortex

By means of the matched asymptotic expansion method with one-time scale analysis we have shown that the inviscid geostrophic vortex solution represents our leading solution away from the vortex. Near the vortex there is a viscous core structure, with the length scale O(a). In the core the viscous stresses (or turbulent stresses) are important, the variations of the velocity and the equivalent height are finite and dependent of time. It also has been shown that the leading inner solutions of the core structure are the same for two different time scales of S/(ghoo)1/2 and S/a (ghoo)1/2. Within the accuracy of O(a) the velocity of a geostrophic vortex center is equal to the velocity of the local background flow, where the vortex is located, in the absence of the vortex. Some numerical examples demonstrate the contributions of these results.

On the magnetospheric structure of pulsars

The magnetospheric structure of a pulsar is discussed for a non-force-free magnetic field. The local solution to the axisymmetric equations of the pulsar is obtained by the method of expanding in the polar angle. Particular attention is given to the solutions near the polar axis and the equator. Near the pulsar surface, the magnetic field energy density is found to be larger than the other energy components; the gravitational potential and the kinetic energy are relatively larger far away from the pulsar surface. It is shown that these relations influence the mass distribution in the pulsar magnetosphere. The results also show that the plasma rotation may be nonrigid and, hence, that a corotational region with a closed magnetic field may not exist.

Optimization of Off-Null Ellipsometry for Optical Biosensor Applications

The optimization of off-null ellipsometry is described with emphasis on the improvement of resolution for visualizing biomolecule layers. For optical biosensor with layer thickness below 6.5 nm, a numerical simulation for the dependence of resolution on the azimuth settings of polarizer and analyzer is presented first. For comparison, three different resolutions are given at three azimuth settings which are near null and far away from null condition, respectively. Furthermore, the square or linear approximation relationship between the intensity and the layer thickness are also given at these settings. The difference among their accuracy is up to 100 times or so. Experimental results of the biosensor sample verify the optimization.

Stabilizing to disruptive transition of focal adhesion response to mechanical forces

Strong mechanical forces can, obviously, disrupt cell-cell and cell-matrix adhesions, e.g., cyclic uniaxial stretch induces instability of cell adhesion, which then causes the reorientation of cells away from the stretching direction. However, recent experiments also demonstrated the existence of force dependent adhesion growth (rather than dissociation). To provide a quantitative explanation for the two seemingly contradictory phenomena, a microscopic model that includes both integrin-integrin interaction and integrin-ligand interaction is developed at molecular level by treating the focal adhesion as an adhesion cluster. The integrin clustering dynamics and integrin-ligand binding dynamics are then simulated within one unified theoretical frame with Monte Carlo simulation. We find that the focal adhesion will grow when the traction force is higher than a relative small threshold value, and the growth is dominated by the reduction of local chemical potential energy by the traction force. In contrast, the focal adhesion will rupture when the traction force exceeds a second threshold value, and the rupture is dominated by the breaking of integrin-ligand bonds. Consistent with the experiments, these results suggest a force map for various responses of cell adhesion to different scales of mechanical force. PMID: 20542514