Subgrid scale fluid velocity timescales seen by inertial particles in large-eddy simulation of particle-laden turbulence

Large-eddy simulation (LES) has emerged as a promising tool for simulating turbulent flows in general and, in recent years,has also been applied to the particle-laden turbulence with some success (Kassinos et al., 2007). The motion of inertial particles is much more complicated than fluid elements, and therefore, LES of turbulent flow laden with inertial particles encounters new challenges. In the conventional LES, only large-scale eddies are explicitly resolved and the effects of unresolved, small or subgrid scale (SGS) eddies on the large-scale eddies are modeled. The SGS turbulent flow field is not available. The effects of SGS turbulent velocity field on particle motion have been studied by Wang and Squires (1996), Armenio et al. (1999), Yamamoto et al. (2001), Shotorban and Mashayek (2006a,b), Fede and Simonin (2006), Berrouk et al. (2007), Bini and Jones (2008), and Pozorski and Apte (2009), amongst others. One contemporary method to include the effects of SGS eddies on inertial particle motions is to introduce a stochastic differential equation (SDE), that is, a Langevin stochastic equation to model the SGS fluid velocity seen by inertial particles (Fede et al., 2006; Shotorban and Mashayek, 2006a; Shotorban and Mashayek, 2006b; Berrouk et al., 2007; Bini and Jones, 2008; Pozorski and Apte, 2009).However, the accuracy of such a Langevin equation model depends primarily on the prescription of the SGS fluid velocity autocorrelation time seen by an inertial particle or the inertial particle–SGS eddy interaction timescale (denoted by $\delt T_{Lp}$ and a second model constant in the diffusion term which controls the intensity of the random force received by an inertial particle (denoted by C_0, see Eq. (7)). From the theoretical point of view, dTLp differs significantly from the Lagrangian fluid velocity correlation time (Reeks, 1977; Wang and Stock, 1993), and this carries the essential nonlinearity in the statistical modeling of particle motion. dTLp and C0 may depend on the filter width and particle Stokes number even for a given turbulent flow. In previous studies, dTLp is modeled either by the fluid SGS Lagrangian timescale (Fede et al., 2006; Shotorban and Mashayek, 2006b; Pozorski and Apte, 2009; Bini and Jones, 2008) or by a simple extension of the timescale obtained from the full flow field (Berrouk et al., 2007). In this work, we shall study the subtle and on-monotonic dependence of $\delt T_{Lp}$ on the filter width and particle Stokes number using a flow field obtained from Direct Numerical Simulation (DNS). We then propose an empirical closure model for $\delta T_{Lp}$. Finally, the model is validated against LES of particle-laden turbulence in predicting single-particle statistics such as particle kinetic energy. As a first step, we consider the particle motion under the one-way coupling assumption in isotropic turbulent flow and neglect the gravitational settling effect. The one-way coupling assumption is only valid for low particle mass loading.

Displacive To Order-Disorder Two-Step Phase Transition Model For Para-Ferroelectric Transition

Two-step phase transition model, displacive to order-disorder, is proposed. The driving forces for these two transitions are fundamentally different. The displacive phase transition is one type of the structural phase transitions. We clearly define the structural phase transition as the symmetry broking of the unit cell and the electric dipole starts to form in the unit cell. Then the dipole-dipole interaction takes place as soon as the dipoles in unit cells are formed. We believe that the dipole-dipole interaction may cause an order-disorder phase transition following the displacive phase transition. Both structural and order-disorder phase transition can be first-order or second-order or in between. We found that the structural transition temperatures can be lower or equal or higher than the order-disorder transition temperature. The para-ferroelectric phase transition is the combination of the displacive and order-disorder phase transitions. It generates a variety of transition configurations along with confusions. In this paper, we discuss all these configurations using our displacive to order-disorder two-step phase transition model and clarified all the confusions.

Acceleration of initially moving electrons by a copropagation intense laser pulse

Acceleration of an initially moving electron by a copropagation ultra-short ultra-intense laser pulse in vacuum is studied. It is shown that when appropriate laser pulse parameters and focusing conditions are imposed, the acceleration of electron by ascending front of laser pulse can be much stronger compared to the deceleration by descending part. Consequently, the electron can obtain significantly high net energy gain. We also report the results of the new scheme that enables a second-step acceleration of electron using laser pulses of peak intensity in the range of 10(19)-10(20) W mu m(2)/cm(2). In the first step the electron acceleration from rest is limited to energies of a few MeV, while in the second step the electron acceleration can be considerably enhanced to about 100 MeV energy.

Electron quantum path tuning and isolated attosecond pulse emission driven by a waveform-controlled multi-cycle laser field

We investigate high-order harmonic emission and isolated attosecond pulse (IAP) generation in atoms driven by a two-colour multi-cycle laser field consisting of an 800 nm pulse and an infrared laser pulse at an arbitrary wavelength. With moderate laser intensity, an IAP of similar to 220 as can be generated in helium atoms by using two-colour laser pulses of 35 fs/800 nm and 46 fs/1150 nm. The discussion based on the three-step semiclassical model, and time-frequency analysis shows a clear picture of the high-order harmonic generation in the waveform-controlled laser field which is of benefit to the generation of XUV IAP and attosecond electron pulses. When the propagation effect is included, the duration of the IAP can be shorter than 200 as, when the driving laser pulses are focused 1 mm before the gas medium with a length between 1.5 mm and 2 mm.

Electron injection by a nanowire in the bubble regime

The triggering of wave-breaking in a three-dimensional laser plasma wake (bubble) is investigated. The Coulomb potential from a nanowire is used to disturb the wake field to initialize the wave-breaking. The electron acceleration becomes more stable and the laser power needed for self-trapping is lowered. Three-dimensional particle-in-cell simulations were performed. Electrons with a charge of about 100 pC can be accelerated stably to energy about 170 MeV with a laser energy of 460 mJ. The first step towards tailoring the electron beam properties such as the energy, energy spread, and charge is discussed. (C) 2007 American Institute of Physics.

A two-step phase-retrieval method in Fourier-transform ghost imaging

A two-step phase-retrieval method, based on Fourier-transform ghost imaging, was demonstrated. For the complex objects, the phase-retrieval process was divided into two steps: first got the complex object's amplitude from the Fourier-transform patterns of the squared object function, then combining with the Fourier-transform patterns of the object function to get the phase. The theoretical basis of this technique is outlined, and the experimental results are presented. (C) 2008 Elsevier B.V. All rights reserved.

Nonvolatile holograms in LiNbO3 : Fe : Cu by use of the bleaching effect

We report our observation of a bleaching effect under an ultraviolet exposure in LiNbO3:Fe:Cu crystals. Two three-step recording-transferring-fixing schemes are proposed to record nonvolatile photorefractive holograms in such crystals. In the schemes two red laser beams and an ultraviolet illumination are used selectively to write the charge grating in the shallow-level Fe centers, to develop the charge grating in the deep-level Cu centers by transferring the charge grating in the Fe centers, and to fix only the charge grating in the Cu centers for unerasable read-out. Experimental results, verifications, and an optimal recording scheme are given. A comparison of the lithium niobate crystals of the same double-doping system of Fe:Mn, Ce:Mn, Ce:Cu, and Fe:Cu is outlined. (C) 2002 Optical Society of America.

Optimization of nonvolatile holographic recording by application of an external electric field

The dependences of the recording properties of LiNbO3:Fe:Mn crystals on an external electric field (applied in the recording or fixing phase of the nonvolatile holographic recording process) are numerically investigated and the optimal conditions for applying an external electric field in this two-step process of nonvolatile holographic recording are discussed in detail. Significant improvement of the photorefractive performance has been found and experimental verifications using a small external electric field are described. Moreover, direct measures relating to the dominant photovoltaic mechanism in the doubly doped LiNbO3 crystals and the unconventional grating-enhanced fixing are revealed by applying an external electric field in the recording and the fixing phases, respectively.

Formation of array microstructures on silicon by multibeam interfered ferntosecond laser pulses

We report on an optical interference method to fabricate array microstructures on the surface of silicon wafers by means of five-beam interference of femtosecond laser pulses. Optical microscope and scanning electron microscope observations revealed microstructures with micrometer-order were fabricated. The diffraction characteristics of the fabricated structures were evaluated. The present technique allows one-step realization of functional optoelectronic devices on silicon surface. (C) 2004 Elsevier B.V. All rights reserved.

Characteristics of polypyrrole (PPy) nano-tubules made by templated ac electropolymerization

Electrochemical alternating current (ac) method designed for the synthesis of polypyrrole (PPy) nano-tubule arrays is the topic of this paper. Two-step anodic aluminum oxide (AAO) membrane is used as a template. The morphology of PPy nano-tubules is observed by SEM and discussed. FTIR spectra exhibit that the peaks of PPy nano-tubules shift compared to conventional PPy film. (c) 2005 Elsevier Ltd. All rights reserved.

Formation of arrayed holes on metal foil and metal film by multibeam interfering femtosecond laser beams

We report on an optical interference method to fabricate arrayed holes on metal nickel foil and aluminum film deposited on glass substrate by means of five-beam interference of femtosecond laser pulses. Optical microscope and scanning electron microscope observations revealed that arrayed holes of micrometre-order were fabricated on both metal foil and metal film. The present technique allows one-step, large-area, micrometric processing of metal materials for potential industrial applications.

Optical transfer of periodic microstructures by interfering femtosecond laser beams

We report on an optical interference method for transferring periodic microstructures of metal film from a supporting substrate to a receiving substrate by means of five-beam interference of femtosecond laser pulses. Scanning electron microscopy and optical microscopy revealed microstructures with micrometer-order were transferred to the receiving substrate. In the meanwhile, a negative copy of the transferred structures was induced in the metal film on the supporting substrate. The diffraction characteristics of the transferred structures were also evaluated. The present technique allows one-step realization of functional optoelectronic devices. (C) 2005 Optical Society of America.

Structural and functional characterization of the human CCR5 receptor in complex with HIV gp120 envelope glycoprotein and CD4 receptor by molecular modeling studies

The entry of human immunodeficiency virus (HIV) into cells depends on a sequential interaction of the gp120 envelope glycoprotein with the cellular receptors CD4 and members of the chemokine receptor family. The CC chemokine receptor CCR5 is such a receptor for several chemokines and a major coreceptor for the entry of R5 HIV type-1 (HIV-1) into cells. Although many studies focus on the interaction of CCR5 with HIV-1, the corresponding interaction sites in CCR5 and gp120 have not been matched. Here we used an approach combining protein structure modeling, docking and molecular dynamics simulation to build a series of structural models of the CCR5 in complexes with gp120 and CD4. Interactions such as hydrogen bonds, salt bridges and van der Waals contacts between CCR5 and gp120 were investigated. Three snapshots of CCR5-gp120-CD4 models revealed that the initial interactions of CCR5 with gp120 are involved in the negatively charged N-terminus (Nt) region of CCR5 and positively charged bridging sheet region of gp120. Further interactions occurred between extracellular loop2 (ECL2) of CCR5 and the base of V3 loop regions of gp120. These interactions may induce the conformational changes in gp120 and lead to the final entry of HIV into the cell. These results not only strongly support the two-step gp120-CCR5 binding mechanism, but also rationalize extensive biological data about the role of CCR5 in HIV-1 gp120 binding and entry, and may guide efforts to design novel inhibitors.

Characterize dynamic conformational space of human CCR5 extracellular domain by molecular modeling and molecular dynamics simulation

The chemokine receptor CCR5 is the receptor for several chemokines and major coreceptor for R5 human immunodeficiency virus type-1 strains entry into cell. Three-dimensional models of CCR5 were built by using homology modeling approach and 1 ns molecular dynamics (MD) simulation, because studies of site-directed mutagenesis and chimeric receptors have indicated that the N-terminus (Nt) and extracellular loops (ECLs) of CCR5 are important for ligands binding and viral fusion and entry, special attention was focused on disulfide bond function, conformational flexibility, hydrogen bonding, electrostatic interactions, and solvent-accessible surface area of Nt and ECLs of this protein part. We found that the extracellular segments of CCR5 formed a well-packet globular domain with complex interactions occurred between them in a majority of time of MID simulation, but Nt region could protrude from this domain sometimes. The disulfide bond Cys20-Cys269 is essential in controlling specific orientation of Nt region and maintaining conformational integrity of extracellular domain. RMS comparison analysis between conformers revealed the ECL1 of CCR5 stays relative rigid, whereas the ECL2 and Nt are rather flexible. Solvent-accessible surface area calculations indicated that the charged residues within Nt and ECL2 are often exposed to solvent. Integrating these results with available experimental data, a two-step gp120-CCR5 binding mechanism was proposed. The dynamic interaction of CCR5 extracellular domain with gp120 was emphasized. (C) 2004 Elsevier B.V. All rights reserved.

Cloning of biologically active genomes from a Helicoverpa armigera single-nucleocapsid nucleopolyhedrovirus isolate by using a bacterial artificial chromosome

Purification of genotypes from baculovirus isolates provides understanding of the diversity of baculoviruses and may lead to the development of better pesticides. Here, we report the cloning of different genotypes from an isolate of Helicoverpa armigera single-nucleocapsid nucleopolyhedrovirus (HaSNPV) by using a bacterial artificial chromosome (BAC). A transfer vector (pHZB10) was constructed which contained an Escherichia coli mini-F replicon cassette within the upstream and downstream arms of HaSNPV polyhedrin gene. Hz2e5 cells were co-transfected with wild-type HaSNPV DNA and pHZB10 to generate recombinant viruses by homologous recombination. The DNA of budded viruses (BVs) was used to transform E. coli. One of the bacmid colonies, HaBacHZ8, has restriction enzyme digestion profiles similar to an in vivo cloned strain HaSNPV-G4, the genome of which has been completely sequenced. For testing the oral infectivity, the polyhedrin gene of HaSNPV was reintroduced into HaBacHZ8 to generate the recombinant bacmid HaBacDF6. The results of one-step growth curves, electron microscopic examination, protein expression analysis and bioassays indicated that HaBacDF6 replicated as well as HaSNPV-G4 in vitro and in vivo. The biologically functional HaSNPV bacmids obtained in this research will facilitate future studies on the function genomics and genetic modification of HaSNPV. (C) 2003 Elsevier B.V. All rights reserved.