An extension of the Quasicontinuum Treatment of Multiscale Solid Systems to Nonzero Temperature

Covering the solid lattice with a finite-element mesh produces a coarse-grained system of mesh nodes as pseudoatoms interacting through an effective potential energy that depends implicitly on the thermodynamic state. Use of the pseudoatomic Hamiltonian in a Monte Carlo simulation of the two-dimensional Lennard-Jones crystal yields equilibrium thermomechanical properties (e.g., isotropic stress) in excellent agreement with ``exact'' fully atomistic results.

Multiscale Coupling in Complex Mechanical Systems

Multiscale coupling attracts broad interests from mechanics, physics and chemistry to biology. The diversity and coupling of physics at different scales are two essential features of multiscale problems in far-from-equilibrium systems. The two features present fundamental difficulties and are great challenges to multiscale modeling and simulation. The theory of dynamical system and statistical mechanics provide fundamental tools for the multiscale coupling problems. The paper presents some closed multiscale formulations, e.g., the mapping closure approximation, multiscale large-eddy simulation and statistical mesoscopic damage mechanics, for two typical multiscale coupling problems in mechanics, that is, turbulence in fluids and failure in solids. It is pointed that developing a tractable, closed nonequilibrium statistical theory may be an effective approach to deal with the multiscale coupling problems. Some common characteristics of the statistical theory are discussed.

Permeability of Fractal Porous Media by Monte Carlo Simulations

The permeability of the fractal porous media is simulated by Monte Carlo technique in this work. Based oil the fractal character of pore size distribution in porous media, the probability models for pore diameter and for permeability are derived. Taking the bi-dispersed fractal porous media as examples, the permeability calculations are performed by the present Monte Carlo method. The results show that the present simulations present a good agreement compared with the existing fractal analytical solution in the general interested porosity range. The proposed simulation method may have the potential in prediction of other transport properties (such as thermal conductivity, dispersion conductivity and electrical conductivity) in fractal porous media, both saturated and unsaturated.

Multiscale Treatment of Thin-Film Lubrication

A multiscale technique that combines an atomistic description of the interfacial (near) region with a coarse-grained (continuum) description of the far regions of the solid substrates is proposed. The new hybrid technique, which represents an advance over a previously proposed dynamically-constrained hybrid atomistic-coarse-grained treatment (Wu et al.J. Chem. Phys., 120, 6744, 2004), is applied to a two-dimensional model tribological system comprising planar substrates sandwiching a monolayer film. Shear–stress profiles (shear stress versus strain) computed by the new hybrid technique are in excellent agreement with “exact” profiles (i.e. those computed treating the whole system at the atomic scale).

Multiscale Coupling: Challenges and Opportunities

Multiscale coupling is ubiquitous in nature and attracts broad interests of scientists from mathematicians, physicists, machinists, chemists to biologists. However, much less attention has been paid to its intrinsic implication. In this paper, multiscale coupling is introduced by studying two typical examples in classic mechanics: fluid turbulence and solid failure. The nature of multiscale coupling in the two examples lies in their physical diversities and strong coupling over wide-range scales. The theories of dynamical system and statistical mechanics provide fundamental methods for the multiscale coupling problems. The diverse multiscale couplings call for unified approaches and might expedite new concepts, theories and disciplines.

The Pressure Transient Analysis Of Deformation Of Fractal Medium

The assumption of constant rock properties in pressure-transient analysis of stress-sensitive reservoirs can cause significant errors in the estimation of temporal and spatial variation of pressure. In this article, the pressure transient response of the fractal medium in stress-sensitive reservoirs was studied by using the self-similarity solution method and the regular perturbation method. The dependence of permeability on pore pressure makes the flow equation strongly nonlinear. The nonlinearities associated with the governing equation become weaker by using the logarithm transformation. The perturbation solutions for a constant pressure production and a constant rate production of a linear-source well were obtained by using the self-similarity solution method and the regular perturbation method in an infinitely large system, and inquire into the changing rule of pressure when the fractal and deformation parameters change. The plots of typical pressure curves were given in a few cases, and the results can be applied to well test analysis.

Fractal Pattern Formation In Anodic Bonding Of Pyrex Glass/Al/Si

Anodic bonding of Pyrex glass/Al/Si is an important bonding technique in micro/nanoelectromechanical systems (MEMS/NEMS) industry. The anodic bonding of Pyrex 7740 glass/Aluminum film/Silicon is completed at the temperature from 300 degrees C to 375 degrees C with a bonding voltage between 150 V and 450 V. The fractal patterns are formed in the intermediate Al thin film. This pattern has the fractal dimension of the typical two-dimensional diffusion-limited aggregation (2D DLA) process, and the fractal dimension is around 1.7. The fractal patterns consist of Al and Si crystalline grains, and their occurrences are due to the limited diffusion, aggregation, and crystallization of Si and Al atoms in the intermediate Al layers. The formation of the fractal pattern is helpful to enhance the bonding strength between the Pyrex 7740 glass and the aluminum thin film coated on the crystal silicon substrates.

Rapidly Infrared-Assisted Cooperatively Self-Assembled Highly Ordered Multiscale Porous Materials

In this paper, cooperative self-assembly (CSA) of colloidal spheres with different sizes was studied. It was found that a complicated jamming effect makes it difficult to achieve an optimal self-assembling condition for construction of a well-ordered stacking of colloidal spheres in a relatively short growth time by CSA. Through the use of a characteristic infrared (IR) technique to significantly accelerate local evaporation on the growing interface without changing the bulk growing environment, a concise three-parameter (temperature, pressure, and IR intensity) CSA method to effectively overcome the jamming effect has been developed. Mono- and multiscale inverse opals in a large range of lattice scales can be prepared within a growth time (15-30 min) that is remarkably shorter than the growth times of several hours for previous methods. Scanning electron microscopy images and transmittance spectra demonstrated the superior crystalline and optical qualities of the resulting materials. More importantly, the new method enables optimal conditions for CSA without limitations on sizes and materials of multiple colloids. This strategy not only makes a meaningful advance in the applicability and universality of colloidal crystals and ordered porous materials but also can be an inspiration to the self-assembly systems widely used in many other fields, such as nanotechnology and molecular bioengineering.

Fractal geometry model for effective thermal conductivity of three-phase porous media

An approximate model, a fractal geometry model, for the effective thermal conductivity of three-phase/unsaturated porous media is proposed based on the thermal-electrical analogy technique and on statistical self-similarity of porous media. The proposed thermal conductivity model is expressed as a function of porosity (related to stage n of Sierpinski carpet), ratio of areas, ratio of component thermal conductivities, and saturation. The recursive algorithm for the thermal conductivity by the proposed model is presented and found to be quite simple. The model predictions are compared with the existing measurements. Good agreement is found between the present model predictions and the existing experimental data. This verifies the validity of the proposed model. (C) 2004 American Institute of Physics.

Fractal dimensions for unsaturated porous media

The analytical expressions of the fractal dimensions for wetting and non-wetting phases for unsaturated porous media are derived and are found to be a function of porosity, maximum and minimum pore sizes as well as saturation. There is no empirical constant in the proposed fractal dimensions. It is also found that the fractal dimensions increase with porosity of a medium and are meaningful only in a certain range of saturation S-w, i.e. S-w > S-min for wetting phase and S-w < S-max for non-wetting phase at a given porosity, based on real porous media for requirements from both fractal theory and experimental observations. The present analysis of the fractal dimensions is verified to be consistent with the existing experimental observations and it makes possible to analyze the transport properties such as permeability, thermal dispersion in unsaturated porous media by fractal theory and technique.

Fractal features of oscillatory convection in the half-floating zone

Unsteady and two-dimensional numerical simulation is applied to study the transition process from steady convection to turbulence via subharmonic bifurcation in thermocapillary convection of a liquid bridge in the half-floating zone. The results of numerical tests show clearly the fractal structure of period-doubling bifurcations, and frequency-locking at f/4, f/8, f/16 with basic frequency f is observed with increasing temperature difference. The Feigenbaum universal constant is given by the present paper as delta(4) = 4.853, which can be compared with the theoretical value 4.6642016.

Orientation preference and fractal character of short fatigue cracks in a weld metal

Short fatigue crack behaviour in a weld metal has been further investigated. The Schmid factor and the fractal dimension of short cracks on iso-stress specimens subjected to reversed bending have been determined and then applied to account for the distribution and orientation characteristics of short fatigue cracks. The result indicates that the orientation preference of short cracks is attributed to the large values of Schmid factor at relevant grains. The Schmid factors of most slip systems, which produced short cracks, are less than or equal to 0.4. Crack length measurements reveal that short crack path, compared to that of long crack, possesses a more stable and relatively larger value of fractal dimension. This is regarded as one of the typical features of short cracks.

A Multiscale-Domain Decomposition Method for High Reynolds Number Flows

The high Reynolds number flow contains a wide range of length and time scales, and the flow domain can be divided into several sub-domains with different characteristic scales. In some sub-domains, the viscosity dissipation scale can only be considered in a certain direction; in some sub-domains, the viscosity dissipation scales need to be considered in all directions; in some sub-domains, the viscosity dissipation scales are unnecessary to be considered at all. For laminar boundary layer region, the characteristic length scales in the streamwise and normal directions are L and L Re-1/ 2 , respectively. The characteristic length scale and the velocity scale in the outer region of the boundary layer are L and U, respectively. In the neighborhood region of the separated point, the length scale l<multiscale-domain decomposition method is developed for the high Reynolds number flow. First, the whole domain is decomposed to different sub-domains with the different characteristic scales. Then the different dominant equation of all sub-domains is defined according to the diffusion parabolized (DP) theory of viscous flow. Finally these different equations are solved simultaneously in whole computational region. For numerical tests of high Reynolds numerical flows, two-dimensional supersonic flows over rearward and frontward steps as well as an interaction flow between shock wave and boundary layer were solved numerically. The pressure distributions and local coefficients of skin friction on the wall are given. The numerical results obtained by the multiscale-domain decomposition algorithm are well agreement with those by NS equations. Comparing with the usual method of solving the Navier-Stokes equations in the whole flow, under the same numerical accuracy, the present multiscale domain decomposition method decreases CPU consuming about 20% and reflects the physical mechanism of practical flow more accurately.

Multiscale Method for Turbulent-Flow Computations

A main method of predicting turbulent flows is to solve LES equations, which was called traditional LES method. The traditional LES method solves the motions of large eddies of size larger than filtering scale An while modeling unresolved scales less than Delta_n. Hughes et al argued that many shortcomings of the traditional LES approaches were associated with their inabilities to successfully differentiate between large and small scales. One may guess that a priori scale-separation would be better, because it can predict scale-interaction well compared with posteriori scale-separation. To this end, a multi-scale method was suggested to perform scale-separation computation. The primary contents of the multiscale method are l) A space average is used to differentiate scale. 2) The basic equations include the large scale equations and fluctuation equations. 3) The large-scale equations and fluctuation equations are coupled through turbulent stress terms. We use the multiscale equations of n=2, i.e., the large and small scale (LSS) equations, to simulate 3-D evolutions of a channel flow and a planar mixing layer flow Some interesting results are given.