Structure and Dynamics of Octamethylcyclotetrasiloxane Confined between Mica Surfaces

Using a molecular model for octamethylcydotetrasiloxane (OMCTS), molecular dynamics simulations are carried out to probe the phase state of OMCTS confined between two mica surfaces in equilibrium With a reservoir. Molecular dynamics simulations are carried out for elevations ranging from 5 to 35 K above the melting point for the OMCTS model used in this study. The Helmholtz free energy is, computed for a specific confinement using the :two-phase thermodynamic (2PT) method. Analysis of the in-plane pair correlation functions did not reveal signatures of freezing even under an extreme confinement of two layers. OMCTS is found to orient with a wide distribution of orientations with respect to the mica surface, with a distinct preference for the surface parallel configuration in the contact layers. The self-intermediate scattering function is found to decay with increasing relaxation times as the surface separation is decreased, and the two-step relaxation in the scattering function, a signature of glassy dynamics, distinctly evolves as the temperature is lowered. However, even at 5 K above the melting point, we did not observe a freezing transition and the self-intermediate scattering functions relax within 200 ps for the seven-layered confined system. The self diffusivity and relaxation times obtained from the Kohlrausch-Williams-Watts stretched exponential fits to the late alpha-relaxation exhibit power law scalings with the packing fraction as predicted by mode coupling theory. A distinct discontinuity in the Helmholtz free energy, potential energy, and a sharp change in the local bond order parameter, Q(4), was observed at 230 K for a five-layered system upon cooling, indicative of a first-order transition. A freezing point depression of about 30 K was observed for this five-layered confined system, and at the lower temperatures, contact layers were found to be disordered with long-range order present only in the inner layers. These dynamical signatures indicate that confined OMCTS undergoes a slowdown akin to a fluid approaching a glass transition upon increasing confinement, and freezing under confinement would require substantial subcooling below the bulk melting point of OMCTS.

Intensity Distribution Design for Laser-Induced Thermal Loading Based on Numerical Simulation

To accomplish laser-induced thermal loading simulation tests for pistons,the Gaussian beam was modulated into multi-circular beam with specific intensity distribution.A reverse method was proposed to design the intensity distribution for the laser-induced thermal loading based on finite element(FE) analysis.Firstly,the FE model is improved by alternating parameters of boundary conditions and thermal-physical properties of piston material in a reasonable range,therefore it can simulate the experimental resul...

Effects of the orientation of microgravity on the concentration distribution in crystallization from solution

A quasi-steady state growth and dissolution in a 2-D rectangular enclosure is numerically investigated. This paper is an extension to indicate the effects of the orientation of gravity on the concentration field in crystallization from solution under microgravity, especially on the lateral non-uniformity of concentration distribution at the growth surface. The thermal and solute convection are included in this model.

Identification of Nonlinear Systems Through Time-Frequency Filtering Technique

In the previous paper, a class of nonlinear system is mapped to a so-called skeleton linear model (SLM) based on the joint time-frequency analysis method. Behavior of the nonlinear system may be indicated quantitatively by the variance of the coefficients of SLM versus its response. Using this model we propose an identification method for nonlinear systems based on nonstationary vibration data in this paper. The key technique in the identification procedure is a time-frequency filtering method by which solution of the SLM is extracted from the response data of the corresponding nonlinear system. Two time-frequency filtering methods are discussed here. One is based on the quadratic time-frequency distribution and its inverse transform, the other is based on the quadratic time-frequency distribution and the wavelet transform. Both numerical examples and an experimental application are given to illustrate the validity of the technique.

Mechanics of Adhesion in MEMS-a Review

A review is presented of the mechanics of microscale adhesion in microelectromechanical systems (MEMS). Some governing dimensionless numbers such as Tabor number, adhesion parameter and peel number for microscale elastic adhesion contact are discussed in detail. The peel number is modified for the elastic contact between a rough surface in contact with a smooth plane. Roughness ratio is introduced to characterize the relative importance of surface roughness for microscale adhesion contact, and three kinds of asperity height distributions are discussed: Gaussian, fractal, and exponential distributions. Both Gaussian and exponential distributions are found to be special cases of fractal distribution. Casimir force induced adhesion in MEMS, and adhesion of carbon nanotubes to a substrate are also discussed. Finally, microscale plastic adhesion contact theory is briefly reviewed, and it is found that the dimensionless number, plasticity index of various forms, can be expressed by the roughness ratio.

Numerical Simulation of the Flow Field and Concentration Distribution in the Bulk Growth of Silicon Carbide Crystals

The physical vapor transport (PVT) method is being widely used to grow large-size single SiC crystals. The growth process is associated with heat and mass transport in the growth chamber, chemical reactions among multiple species as well as phase change at the crystal/gas interface. The current paper aims at studying and verifying the transport mechanism and growth kinetics model by demonstrating the flow field and species concentration distribution in the growth system. We have developed a coupled model, which takes into account the mass transport and growth kinetics. Numerical simulation is carried out by employing an in-house developed software based on finite volume method. The results calculated are in good agreement with the experimental observation.

Concentration distribution in solution crystal growth: effect of moving interface conditions

The linear diffusion-reaction theory with finite interface kinetics is employed to describe the dissolution and the growth processes. The results show that it is imperative to consider the effect of the moving interfaces on the concentration distribution at the growth interface for some cases. For small aspect ratio and small gravity magnitude, the dissolution and the growth interfaces must be treated as the moving boundaries within an angle range of 0 degrees < gamma < 50 degrees in this work. For large aspect ratio or large gravity magnitude, the effect of the moving interfaces on the concentration distribution at the growth interface can be neglected except for gamma < - 50 degrees.

A dynamic view of the spread and intracellular distribution of Salmonella enterica.

The events that determine the dynamics of proliferation, spread and distribution of microbial pathogens within their hosts are surprisingly heterogeneous and poorly understood. We contend that understanding these phenomena at a sophisticated level with the help of mathematical models is a prerequisite for the development of truly novel, targeted preventative measures and drug regimes. We describe here recent studies of Salmonella enterica infections in mice which suggest that bacteria resist the antimicrobial environment inside host cells and spread to new sites, where infection foci develop, and thus avoid local escalation of the adaptive immune response. We further describe implications for our understanding of the pathogenic mechanism inside the host.

Catastrophic Rupture Induced Damage Coalescence in Heterogeneous Brittle Media

In heterogeneous brittle media, the evolution of damage is strongly influenced by the multiscale coupling effect. To better understand this effect, we perform a detailed investigation of the damage evolution, with particular attention focused on the catastrophe transition. We use an adaptive multiscale finite-element model (MFEM) to simulate the damage evolution and the catastrophic failure of heterogeneous brittle media. Both plane stress and plane strain cases are investigated for a heterogeneous medium whose initial shear strength follows the Weibull distribution. Damage is induced through the application of the Coulomb failure criterion to each element, and the element mesh is refined where the failure criterion is met. We found that as damage accumulates, there is a stronger and stronger nonlinear increase in stress and the stress redistribution distance. The coupling of the dynamic stress redistribution and the heterogeneity at different scales result in an inverse cascade of damage cluster size, which represents rapid coalescence of damage at the catastrophe transition.

Water Content Distribution in the Surface Layer of Maoping Slope

The water content distribution in the surface layer of Maoping slope has been studied by testing the water content at 31 control sites. The water content profiles at these sites have also been determined. The water content distributions at different segments have been obtained by using the Kriging method of geostatistics. By comparing the water content distributions with the landform of the slope, it was shown that the water content is closely dependent on the landform of the slope. The water content distribution in the surface layer provided a fundamental basis for landslide predication and treatment.

Thermodynamical versus log-Poisson distribution in turbulence

The thermodynamical model of intermittency in fully developed turbulence due to Castaing (B. Castaing, J. Phys. II France 6 (1996) 105) is investigated and compared with the log-Poisson model (Z-S, She, E. Leveque, Phys. Rev. Lett. 72 (1994) 336). It is shown that the thermodynamical model obeys general scaling laws and corresponds to the degenerate class of scale-invariant statistics. We also find that its structure function shapes have physical behaviors similar to the log-Poisson's one. The only difference between them lies in the convergence of the log-Poisson's structure functions and divergence of the thermodynamical one. As far as the comparison with experiments on intermittency is concerned, they are indifferent.

Effects on Dense-phase Zone Temperature of Fluidized Bed with Uneven Air Distribution

由于采用非均匀布风,内旋流流化床的移动区空气量不足,导致燃烧不充分,温度较低。当移动区未流化时,密相区内存在较明显的温度不均匀性。随着移动区流速的提高,温度差迅速减小。当移动区流速超过2.0#mu#m后,密相区温度基本均匀一致。流动区流速对密相区温度均匀有一定的影响,流速越高,温度越均匀。