Microscopic-based fluid flow invasion simulations

A microscopic method for the generation of invasion percolation structures using armies of interacting random walkers is presented. Two distinct species are used to simulate the invading and defending fluids of a fluid invasion process. Trapping of the defending species is accomplished purely by local rules, without the need to repetitively check the connection between the to be displaced defender phase and the sink.     

Lattice Boltzmann method on quadtree grids for simulating fluid flow through porous media: A new automatic algorithm

During the past two decades, the lattice Boltzmann (LB) method has been introduced as a class of computational fluid dynamic methods for fluid flow simulations. In this method, instead of solving the Navier Stocks equation, the Boltzmann equation is solved to simulate the flow of a fluid. This method was originally developed based on uniform grids. However, in order to model complex geometries such as porous media, it can be very slow in comparison with other techniques such as finite differences and finite elements. To eliminate this limitation, a number of studies have aimed to formulate the lattice Boltzmann on the unstructured grids. This paper deals with simulating fluid flow through a synthetic porous medium using the LB method and on the quadtree grid structure. To this end, the LB method was used on nonuniform grids coupled with a technique for image reconstruction which resulted in the quadtree grids for simulation of fluid flow through porous media. Accuracy and efficiency of this algorithm is compared against the conventional LB method based on uniform grids. While the decrease in computational time in the proposed LB method on nonuniform grids is found to be significant regarding the size of the initial and reconstructed images, the same level of accuracy is obtained when compared with the conventional LB method on uniform grids.     

Gravity driven instabilities in miscible non-Newtonian fluid displacements in porous media

Gravity driven instabilities in model porous packings of 1 mm diameter spheres are studied by comparing the broadening of the displacement front between fluids of slightly different densities in stable and unstable configurations. Water, water–glycerol and water–polymer solutions are used to vary independently viscosity and molecular diffusion and study the influence of shear-thinning properties. Both injected and displaced solutions are identical but for a different concentration of NaNO₃ salt used as an ionic tracer and to introduce the density contrast. Dispersivity in stable configuration increases with polymer concentration – as already reported for double porosity packings of porous grains. Gravity-induced instabilities are shown to develop below a same threshold Péclet number Pe for water and water–glycerol solutions of different viscosities and result in considerable increases of the dispersivity. Measured threshold Pe values decrease markedly on the contrary with polymer concentration. The quantitative analysis demonstrates that the development of the instabilities is controlled by viscosity through a characteristic gravity number G (ratio between hydrostatic and viscous pressure gradients). A single threshold value of G accounts for results obtained on Newtonian and non-Newtonian solutions.     

Size dependence of self-diffusion in the hard-square lattice gas

A striking size dependence of the mean-square displacement of diffusing particles in the two-dimensional lattice gas of hard squares has been observed by Monte Carlo simulation. It is shown that the size effect is due to the formation of a stable cage structure in small lattices when the particle concentration is high. The formation of cages is governed by a new type of percolation problem related to bootstrap percolation.     

Simulation and experimental verification of the diffusion in an anisotropic fiber phantom

Diffusion weighted magnetic resonance imaging enables the visualization of fibrous tissues such as brain white matter. The validation of this non-invasive technique requires phantoms with a well-known structure and diffusion behavior. This paper presents anisotropic diffusion phantoms consisting of parallel fibers. The diffusion properties of the fiber phantoms are measured using diffusion weighted magnetic resonance imaging and bulk NMR measurements. To enable quantitative evaluation of the measurements, the diffusion in the interstitial space between fibers is modeled using Monte Carlo simulations of random walkers. The time-dependent apparent diffusion coefficient and kurtosis, quantifying the deviation from a Gaussian diffusion profile, are simulated in 3D geometries of parallel fibers with varying packing geometries and packing densities. The simulated diffusion coefficients are compared to the theory of diffusion in porous media, showing a good agreement. Based on the correspondence between simulations and experimental measurements, the fiber phantoms are shown to be useful for the quantitative validation of diffusion imaging on clinical MRI-scanners.     

Configurational entropy of systems with non-additive lateral interactions

The configurational entropy per site of a lattice gas model with non-additive interactions between adsorbed particles for square, triangular and honeycomb lattices is discussed in the present study. The model used here assumes that the energy which links a certain atom with any of its nearest-neighbors strongly depends on the state of occupancy in the first coordination sphere of that adatom. By means of Monte Carlo simulations in the canonical ensemble by following the algorithm of parallel tempering and the thermodynamic integration method the configurational entropy per site has been calculated. By analyzing the behavior of the configurational entropy per site, the different low-temperature-ordered phases are described. The dependency of the critical temperature of the system as a function of characteristic parameters of the model is established.     

Hadron masses and matrix elements from the QCD Schrödinger functional

We explain how masses and matrix elements can be computed in lattice QCD using Schrödinger functional boundary conditions. Numerical results in the quenched approximation demonstrate that good precision can be achieved. For a statistical sample of the same size, our hadron masses have a precision similar to what is achieved with standard methods, but for the computation of matrix elements such as the pseudoscalar decay constant the Schrödinger functional technique turns out to be much more efficient than the known alternatives.     

Application of the spatial averaging theorem to radiative heat transfer in two-phase media

The spatial averaging theorem is applied to rigorously derive continuum-scale equations of radiative transfer in two-phase media consisting of arbitrary-type phases in the limit of geometrical optics. The derivations are based on the equations of radiative transfer and the corresponding boundary conditions applied at the discrete-scale to each phase, and on the discrete-scale radiative properties of each phase and the interface between the phases. The derivations confirm that radiative transfer in two-phase media consisting of arbitrary-type phases in the range of geometrical optics can be modeled by a set of two continuum-scale equations of radiative transfer describing the variation of the average intensities associated with each phase. Finally, a Monte Carlo based methodology for the determination of average radiative properties is discussed in the light of previous pertinent studies.     

Lattice-gas and lattice-Boltzmann models of miscible fluids

We introduce new lattice-gas and lattice-Boltzmann models for simulating miscible fluids in two dimensions. The inclusion of a nonlocal interaction produces a lattice gas with lower diffusivity than achieved before. To overcome some observed unphysical properties of this lattice gas, we introduce a lattice-Boltzmann analogue of the model. We first formulate a miscible two-component lattice-Boltzmann model with local interactions only, and show that its diffusivity is determined by an eigenvalue of the linearized collision operator. Diffusivity is then reduced by including nonlocal interactions. The utility of the model is demonstrated by a simulation of two-dimensional viscous fingering.     

随机反应扩散格气模型上钙动力学的粗粒化模拟

发展了一种基于随机格气模型的粗粒化方法,该方法能有效模拟内质网表面钙动力学信息. 首先将相邻的微观节点合并成粗粒化节点,再根据局域平均场近似推导出粗粒化反应速率,然后执行粗粒化动力学蒙特卡洛模拟. 发现粗粒化动力学蒙特卡洛模拟结果和微观模拟结果非常吻合. 有趣的是,存在一个最佳的粗粒化比m,使得粗粒化模拟与微观模拟的相变点偏差最小. 固定m,发现临界点随体系尺度增加而单调增加,而且相变点的偏差与体系尺度存在一个标度关系.此外,该粗粒化方法大大地加快了蒙特卡洛模拟速率,并且与微观模拟直接相关. 该方法可以广泛用来研究体系尺度效应,而节省大量计算时间.     

基于检测光纤的漫射高光谱采集的Monte Carlo仿真

从漫射高光谱中可以获得被测物体成分、结构及其分布等信息。采用光纤光谱仪获取漫射高光谱是一种常用的方法。Monte Carlo方法在研究光在浑浊介质的传播方面得到了广泛的应用。然而,使用Monte Carlo方法研究漫射高光谱时,必须考虑实际的检测条件对信号采集的影响。将光纤参数引入到Monte Carlo模型中,研究了光纤参数对被检测光学信号的影响。仿真结果表明,孔径角和半径增大,检测的漫射高光谱随之增大,而光纤与被测物质表面的距离小于1 mm时对漫射高光谱的影响在一定程度上可以忽略。进一步研究发现存在固定的修正系数使不同孔径角的光纤所采集的漫射高光谱转化为孔径角为π/2的光纤对应的信号。同时,得到了实际光纤孔径角范围内的修正系数拟合曲线。不同半径的光纤通过面积归一化可以得到很好的一致性。研究检测光纤参数对漫射高光谱的影响对实际测量有重要的指导意义,而且不同光纤所对应的检测结果可以通过修正系数和面积归一化进行移植。     

A seed-diffusion model for tropical tree diversity patterns

Diversity patterns of tree species in a tropical forest community are approached by a simple lattice model and investigated by Monte Carlo simulations using a backtracking method. Our spatially explicit neutral model is based on a simple statistical physics process, namely the diffusion of seeds. The model has three parameters: the speciation rate, the size of the meta-community in which the studied tree-community is embedded, and the average surviving time of the seeds. By extensive computer simulations we aim towards the reproduction of relevant statistical measures derived from the experimental data of the Barro Colorado Island tree census in 1995. The first two parameters of the model are fixed to known values, characteristic of the studied community, thus obtaining a model with only one freely adjustable parameter. As a result of this, the average number of species in the considered territory, the relative species abundance distribution, the species–area relationship and the spatial auto-correlation function of the individuals in abundant species are simultaneously fitted with only one parameter which is the average surviving time of the seeds.     

Discrete vs. continuum-scale simulation of radiative transfer in semitransparent two-phase media

The mathematical formulation of the continuum approach to radiative transfer modeling in two-phase semi-transparent media is numerically validated by comparing radiative fluxes computed by (i) direct, discrete-scale and (ii) continuum-scale approaches. The analysis is based on geometrical optics. The discrete-scale approach uses the Monte Carlo ray-tracing applied directly to real 3D geometry measured by computed tomography. The continuum-scale approach is based on a set of continuum-scale radiative transfer equations and associated radiative properties, and employs the Monte Carlo ray-tracing for computations of radiative fluxes and for computations of the radiative properties. The model two-phase media are reticulate porous ceramics and a particle packed bed, each composed of semitransparent solid and fluid phases. The results obtained by the two approaches are in good agreement within the limits of statistical uncertainty. The continuum-scale approach leads to a reduction in computational time by approximately one order of magnitude, and is therefore suited to treat radiative transfer problems in two-phase media in a wide range of engineering applications.     

质子照相中基于能量损失的密度重建

提出了一种质子能量在中高能时利用能量损失进行密度重建的方法,并利用Bethe-Bolch公式给出了利用能量损失进行密度重建的方程及条件.针对1.6 GeV的质子能量,通过定量计算常见材料的阻止本领,得出质子能量在1.45–1.6 GeV范围内时,材料的阻止本领的变化率小于1%,可近似为常数.最后,通过理论计算和Geant 4模拟,得出质子能量在1.6 GeV时,可以对面密度为113 g/cm²的缩比法国实验客体进行密度重建.     

Numerical simulation of heat transfer and fluid flow of Water-CuO Nanofluid in a sinusoidal channel with a porous medium

This study has compared the convection heat transfer of Water-based fluid flow with that of Water-Copper oxide (CuO) nanofluid in a sinusoidal channel with a porous medium. The heat flux in the lower and upper walls has been assumed constant, and the flow has been assumed to be two-dimensional, steady, laminar, and incompressible. The governing equations include equations of continuity, momentum, and energy. The assumption of thermal equilibrium has been considered between the porous medium and the fluid. The effects of the parameters, Reynolds number and Darcy number on the thermal performance of the channel, have been investigated. The results of this study show that the presence of a porous medium in a channel, as well as adding nanoparticles to the base fluid, increases the Nusselt number and the convection heat transfer coefficient. Also the results show that As the Reynolds number increases, the temperature gradient increases. In addition, changes in this parameter are greater in the throat of the flow than in convex regions due to changes in the channel geometry. In addition, porous regions reduce the temperature difference, which in turn increases the convective heat transfer coefficient.     

The limitation of the proposed collection efficiency for fiber probes on the visible and near-infrared diffuse spectroscopy

A fiber is usually used as a probe in visible and near-infrared diffuse spectra measurement. However, the use of different fiber probes in the same measurement may cause data mismatch problems. Our group has researched the influence of the parameters of fiber probe, including the aperture angle, on the diffuse spectrum by a modified Monte Carlo model. To eliminate the influence of the aperture angle, we proposed a fitted equation of correction coefficient to correct its difference in practical range. However, we did not discuss the limitation of this method. In this work, we explored the collection efficiency in different optical environment with Monte Carlo simulation method, and find the suitable conditions—weak absorbing and strong scattering media, for the proposed collection efficiency. Furthermore, we tried to explain the stability of the collection efficiency in this condition. This work gives suitable conditions for the collection efficiency. The use of collection efficiency can help reduce the influence of different measurement systems and is also helpful to the model translation.     

Study on photon migration path of ultrashort light pulse in turbid media by Monte Carlo method

The photon density and the photon weight density are obtained by a Monte Carlo method. Based on these two concepts the Gaussian peak value photon paths and the weight mean photon paths of ultrashort light pulse in turbid media are defined and studied. The width of the Gaussian peak value photon path is also given. The influence of the exit angle and time on the photon path and its width are discussed. The relative probability of the photon path is given by the sum of the photon weight densities along the photon path, which could be used to calculate the normalized diffusive intensity approximately. The diffusive reflective intensities will arrive at the maximum at some instant at the place where the photon path reaches on the entrance surface at the same instant. The absorption coefficient has small effect on the photon path and its width in the case of the photon weight density.     

Effect of the block-spin configuration on the location of βc in two-dimensional Ising modelsin two-dimensional Ising models

We consider the nearest neighbor Ising model on the 2D square lattice and divide the lattice into 2 by 2 blocks. Each block is assigned one spin value (1 or –1) and these block spin values are kept fixed. We then impose the majority rule and look at the effect on the phase transition that was present in the original unconstrained spin system. We find that for the checkerboard block-spin configuration, Monte Carlo simulations show that _c is close to 1, which, compared to the original nearest neighbor Ising _c = 0.44..., shows that the critical temperature has been reduced by more than one half. For none of the other 11 block-spin configurations that we have considered is there any indication of a phase transition in the constrained system of original spins.     

A stochastic lattice gas for Burgers' equation: A practical study

We continue our investigation of stochastic lattice gases as a (highly parallel) means of simulating given PDEs, in this case Burgers' equation in one dimension. The lattice dynamics consists of stochastic unidirectional particle displacement, and our attention is turned toward the reliability of the model, i.e., its ability to reproduce the unique physical solution of Burgers' equation. Lattice gas results are discussed and compared against finite-difference calculations and exact solutions in examples which include shocks and rarefaction waves.     

Direct pore-level modeling of incompressible fluid flow in porous media

We present a dynamic particle-based model for direct pore-level modeling of incompressible viscous fluid flow in disordered porous media. The model is capable of simulating flow directly in three-dimensional high-resolution micro-CT images of rock samples. It is based on moving particle semi-implicit (MPS) method. We modify this technique in order to improve its stability for flow in porous media problems. Using the micro-CT image of a rock sample, the entire medium, i.e., solid and fluid, is discretized into particles. The incompressible Navier–Stokes equations are then solved for each particle using the MPS summations. The model handles highly irregular fluid–solid boundaries effectively. An algorithm to split and merge fluid particles is also introduced. To handle the computational load, we present a parallel version of the model that runs on distributed memory computer clusters. The accuracy of the model is validated against the analytical, numerical, and experimental data available in the literature. The validated model is then used to simulate both unsteady- and steady-state flow of an incompressible fluid directly in a representative elementary volume (REV) size micro-CT image of a naturally-occurring sandstone with 3.398 μm resolution. We analyze the quality and consistency of the predicted flow behavior and calculate absolute permeability using the steady-state flow rate.