Molecular dynamics simulation of interaction of a dislocation array from a crack tip with grain boundaries

The interaction of a dislocation array emitted from a crack tip under mode II loading with asymmetric tilt grain boundaries (GBs) is analysed by the molecular dynamics method. The GBs can generally be described by planar and linear matching zones and unmatching zones. All GBs are observed to emit dislocations. The GBs migrated easily due to their planar and linear matching structure and asymmetrical type. The diffusion induced by stress concentration is found to promote the GB migration. The transmissions of dislocations are either along the matched plane or along another plane depending on tilt angle theta. Alternate processes of stress concentration and stress relaxation take place ahead of the pileup. The stress concentration can be released either by transmission of dislocations, by atom diffusion along GBs, or by migration of GBs by formation of twinning bands. The simulated results also unequivocally demonstrate two processes, i.e. asymmetrical GBs evolving into symmetrical ones and unmatching zones evolving into matching ones during the loading process.

Temporal characteristic simulation for stimulated emission depletion microscopy

The imaging technology of stimulated emission depletion (STED) utilizes the nonlinearity relationship between the fluorescence saturation and the excited state stimulated depletion. It implements three-dimensional (3D) imaging and breaks the diffraction barrier of far-field light microscopy by restricting fluorescent molecules at a sub-diffraction spot. In order to improve the resolution which attained by this technology, the computer simulation on temporal behavior of population probabilities of the sample was made in this paper, and the optimized parameters such as intensity, duration and delay time of the STED pulse were given.

Motion simulation of annular polishing

Based on the Coulomb friction model, the frictional motion model of workpiece relating to the polishing pad was presented in annular polishing. By the dynamic analysis software, the model was simulated and analysed. The conclusions from the results were that the workpiece did not rotate steadily. When the angular velocity of ring and the direction were the same as that of the polishing pad, the angular velocity of workpiece hoicked at the beginning and at the later stage were the same as that of the polishing pad before contacting with the ring. The angular velocity of workpiece vibrated at the moment of contacting with the ring. After that the angular velocity of workpiece increased gradually and fluctuated at a given value, while the angular velocity of ring decreased gradually and also fluctuated at a given value. Since the contact between the workpiece and the ring was linear, their linear velocities and directions should be the same. But the angular velocity of workpiece was larger than that of the polishing pad on the condition that the radius of the workpiece was less than that of the ring. This did not agree with the pure translation principle and the workpiece surface could not be flat, either. Consequently, it needed to be controlled with the angular velocity of ring and the radii of the ring and the workpiece, besides friction to make the angular velocity of workpiece equal to that of the polishing pad for obtaining fine surface flatness of the workpiece. Copyright © 2007 Inderscience Enterprises Ltd.}

Numerical simulation of nc-Si : H/c-Si heterojunction solar cells

AMPS simulator, which was developed by Pennsylvania State University, has been used to simulate photovoltaic performances of nc-Si:H/c-Si solar cells. It is shown that interface states are essential factors prominently influencing open circuit voltages (V-OC) and fill factors (FF) of these structured solar cells. Short circuit current density (J(SC)) or spectral response seems more sensitive to the thickness of intrinsic a-Si:H buffer layers inserted into n(+)-nc-Si:H layer and p-c-Si substrates. Impacts of bandgap offset on solar cell performances have also been analyzed. As DeltaE(C) increases, degradation of VOC and FF owing to interface states are dramatically recovered. This implies that the interface state cannot merely be regarded as carrier recombination centres, and impacts of interfacial layer on devices need further investigation. Theoretical maximum efficiency of up to 31.17% (AM1.5,100mW/cm(2), 0.40-1.1mum) has been obtained with BSF structure, idealized light-trapping effect(R-F=0, R-B=1) and no interface states.

Brownian dynamics simulation of the crystallization dynamics of charged colloidal particles

Crystal formation process of charged colloidal particles is investigated using Brownian dynamics (BD) simulations. The particles are assumed to interact with the pair-additive repulsive Yukawa potential. The time evolution of crystallization process and the crystal structure during the simulation are characterized by means of the radial distribution functions (RDF) and mean square displacement (MSD). The simulations show that when the interaction is featured with long-range, particles can spontaneously assemble into body-centered-cubic (BCC) arrays at relatively low particle number density. When the interaction is short-ranged, with increasing the number density particles become trapped into a stagnant disordered configuration before the crystallization could be actualized. The simulations further show that as long as the trapped configurations are bypassed, the face-centered-cubic (FCC) structures can be achieved and are actually more stable than BCC structures. (C) 2010 Elsevier Inc. All rights reserved.

Simulation Study of Aggregate Morphologies Formed by ABC Linear Triblock Copolymers in a Selective Solvent Through the Self-Consistent Field Theory

The effect of the hydrophobic properties of blocks B and C on the aggregate morphologies formed by ABC linear triblock copolymers in selective solvent was studied through the self-consistent field theory. Five typical micelles, such as core-shell-corona, hamburger-like, segmented-wormlike, were obtained by changing the hydrophobic properties of blocks B and C. The simulation results indicate that the shape and size of micelle are basically controlled by the hydrophobic degree of the middle block B, whereas the type of micelle is mainly determined by the hydrophobic degree of the end block C.

Proper orthogonal decomposition of oscillatory Marangoni flow in half-zone liquid bridges of low-Pr fluids

Proper orthogonal decomposition (POD) using method of snapshots was performed on three different types of oscillatory Marangoni flows in half-zone liquid bridges of low-Pr fluid (Pr = 0.01). For each oscillation type, a series of characteristic modes (eigenfunctions) have been extracted from the velocity and temperature disturbances, and the POD provided spatial structures of the eigenfunctions, their oscillation frequencies, amplitudes, and phase shifts between them. The present analyses revealed the common features of the characteristic modes for different oscillation modes: four major velocity eigenfunctions captured more than 99% of the velocity fluctuation energy form two pairs, one of which is the most energetic. Different from the velocity disturbance, one of the major temperature eigenfunctions makes the dominant contribution to the temperature fluctuation energy. On the other hand, within the most energetic velocity eigenfuction pair, the two eigenfunctions have similar spatial structures and were tightly coupled to oscillate with the same frequency, and it was determined that the spatial structures and phase shifts of the eigenfunctions produced the different oscillatory disturbances. The interaction of other major modes only enriches the secondary spatio-temporal structures of the oscillatory disturbances. Moreover, the present analyses imply that the oscillatory disturbance, which is hydrodynamic in nature, primarily originates from the interior of the liquid bridge. (C) 2007 Elsevier B.V. All rights reserved.

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.

Crack tip behavior and crack-propagation in ductile materials

Dilatational plastic equations, which can include the effects of ductile damage, are derived based on the equivalency in expressions for dissipated plastic work. Void damage developed internally at the large-strain stage is represented by an effective continuum being strain-softened and plastically dilated. Accumulation of this local damage leads to progressive failure in materials. With regard to this microstructural background, the constitutive parameters included for characterizing material behaviour have the sense of internal variables. They are not able to be determined explicitly by macroscopic testing but rather through computer simulation of experimental curves and data. Application of this constitutive model to mode-I cracking examples demonstrates that a huge strain concentration accompanied by a substantial drop of stress does occur near the crack tip. Eventually, crack propagation is simulated by using finite elements in computations. Two numerical examples show good accordance with experimental data. The whole procedure of study serves as a justification of the constitutive formulation proposed in the text.

Generation of periodic ultrashort electron bunches and strongly asymmetric ion Coulomb explosion in nanometer foils interacting with ultra-intense laser pulse

The interaction of a linearly polarized intense laser pulse with an ultrathin nanometer plasma layer is investigated to understand the physics of the ion acceleration. It is shown by the computer simulation that the plasma response to the laser pulse comprises two steps. First, due to the vxB effect, electrons in the plasma layer are extracted and periodic ultrashort relativistic electron bunches are generated every half of a laser period. Second, strongly asymmetric Coulomb explosion of ions in the foil occurs due to the strong electrostatic charge separation, once the foil is burnt through. Followed by the laser accelerated electron bunch, the ion expansion in the forward direction occurs along the laser beam that is much stronger as compared to the backward direction. (c) 2008 American Institute of Physics.

Attosecond X-ray pulse obtained from linear Thomson scattering

Linear Thomson scattering by a relativistic electron of a short pulse laser has been investigated by computer simulation. Under a laser field with a pulse of 33.3-fs full-width at half-maximum, and the initial energy of an electron of gamma(0) = 10, the motion of the electron is relativistic and generates an ultrashort radiation of 76-as with a photon wave length of 2.5-nm in the backward scattering. The radiation under a high relativistic energy electron has better characteristic than under a low relativistic energy electron in terms of the pulse width and the angular distribution. (c) 2005 Elsevier GrnbH. All rights reserved.

Phase unwrapping based on branch cut placing and reliability ordering

A new 2-D quality-guided phase-unwrapping algorithm, based on the placement of the branch cuts, is presented. Its framework consists of branch cut placing guided by an original quality map and reliability ordering performed on a final quality map. To improve the noise immunity of the new algorithm, a new quality map, which is used as the original quality map to guide the placement of the branch cuts, is proposed. After a complete description of the algorithm and the quality map, several wrapped images are used to examine the effectiveness of the algorithm. Computer simulation and experimental results make it clear that the proposed algorithm works effectively even when a wrapped phase map contains error sources, such as phase discontinuities, noise, and undersampling. (c) 2005 Society of Photo-Optical Instrumentation Engineers.

Phase unwrapping based on branch cut placing and reliability ordering

A new 2-D quality-guided phase-unwrapping algorithm, based on the placement of the branch cuts, is presented. Its framework consists of branch cut placing guided by an original quality map and reliability ordering performed on a final quality map. To improve the noise immunity of the new algorithm, a new quality map, which is used as the original quality map to guide the placement of the branch cuts, is proposed. After a complete description of the algorithm and the quality map, several wrapped images are used to examine the effectiveness of the algorithm. Computer simulation and experimental results make it clear that the proposed algorithm works effectively even when a wrapped phase map contains error sources, such as phase discontinuities, noise, and undersampling. (c) 2005 Society of Photo-Optical Instrumentation Engineers.

基于分支设置的质量导引相位展开算法

二维相位展开方法是近年来较为活跃、引起关注的一个研究课题，它在许多测量应用中有着重要的作用。尽管掩膜阻断算法在多个领域都有成功应用实例，该算法存在着固有的缺陷。为了克服掩膜阻断算法的缺陷，综合分支阻断方法和质量导引方法的优点，提出一种基于分支设置的质量导引相位展开新算法。它先以一个初始质量图来引导分支的设置，然后把分支对应的相位质量设置为最低，从而产生一个新的质量图，最后按新质量图来引导相位展开，并使用几个包裹相位图来验证此方法的有效性。计算机模拟相位图和实际相位图的相位展开结果表明，在存在复杂轮廓不连续

Coma measurement of projection optics in lithographic tools based on relative image displacements at multiple illumination settings

In this paper, we propose a novel method for measuring the coma aberrations of lithographic projection optics based on relative image displacements at multiple illumination settings. The measurement accuracy of coma can be improved because the phase-shifting gratings are more sensitive to the aberrations than the binary gratings used in the TAMIS technique, and the impact of distortion on displacements of aerial image can be eliminated when the relative image displacements are measured. The PROLITH simulation results show that, the measurement accuracy of coma increases by more than 25% under conventional illumination, and the measurement accuracy of primary coma increases by more than 20% under annular illumination, compared with the TAMIS technique. (c) 2007 Optical Society of America.