Multi-scale simulation of diffusion behavior of deterrent in propellant

Concentration distribution of the deterrent in single-base propellant during the process of firing plays an important role in the ballistic properties of gun propellant in weapons. However, the diffusion coefficient calculated by molecular dynamics(MD) simulation is 6 orders of magnitude larger than the experimental values. Meanwhile, few simple and comprehensive theoretical models can explain the phenomenon and accurately predict the concentration distribution of the propellant. Herein, an onion model combining with MD simulation and finite element method of diffusion in propellants is introduced to bridge the gap between the experiments and simulations, and correctly predict the concentration distribution of deterrent. Furthermore, a new time scale is found to characterize the diffusion process. Finally, the time-and position-depended concentration distributions of dibutyl phthalate in nitrocellulose are measured by Raman spectroscopy to verify the correctness of the onion model. This work not only provides guidance for the design of the deterrent, but could be also extended to the diffusion of small molecules in polymer with different crystallinity.

A Priori and A Posteriori Error Estimates of Streamline Diffusion Finite Element Method for Optimal Control Problem Governed by Convection Dominated Diffusion Equation

In this paper,we investigate a streamline diffusion finite element approxi- mation scheme for the constrained optimal control problem governed by linear con- vection dominated diffusion equations.We prove the existence and uniqueness of the discretized scheme.Then a priori and a posteriori error estimates are derived for the state,the co-state and the control.Three numerical examples are presented to illustrate our theoretical results.

Robust Watermarking with Kernels-Alternated Error Diffusion and Weighted Lookup Table in Halftone Images

A halftone watermarking method of high quality, robustness, and capacity flexibility is presented in this paper. An objective halftone image quality evaluation method based on the human visual system obtained by a least-mean-square algorithm is also introduced. In the encoder, the kernels-alternated error diffusion （KAEDF） is applied. It is able to maintain the computational complexity at the same level as ordinary error diffusion. Compared with Hel-Or using ordered dithering, the proposed KAEDF yields a better image quality through using error diffusion. We also propose a weighted lookup table （WLUT） in the decoder instead of lookup table （LUT）, as proposed by Pei and Guo, so as to achieve a higher decoded rate. As the experimental results demonstrate, this technique is able to guard against degradation due to tampering, cropping, rotation, and print-and-scan processes in error-diffused halftone images.

Gas diffusion in a cylindrical coal sample – A general solution,approximation and error analyses

The analytical mathematical solutions of gas concentration and fractional gas loss for the diffusion of gas in a cylindrical coal sample were given with detailed mathematical derivations by assuming that the diffusion of gas through the coal matrix is concentration gradient-driven and obeys the Fick’s Second Law of Diffusion.The analytical solutions were approximated in case of small values of time and the error analyses associated with the approximation were also undertaken.The results indicate that the square root relationship of gas release in the early stage of desorption,which is widely used to provide a simple and fast estimation of the lost gas,is the first term of the approximation,and care must be taken in using the square root relationship as a significant error might be introduced with increase in the lost time and decrease in effective diameter of a cylindrical coal sample.

LOCAL ERROR ESTIMATES FOR METHODS OF CHARACTERISTICS INCORPORATING STREAMLINE DIFFUSION

Allen and Liu (1995) introduced a new method for a time-dependent convection dominated diffusion problem, which combines the modified method of characteristics and method of streamline diffusion. But they ignored the fact that the accuracy of time discretization decays at half an order when the characteristic line goes out of the domain. In present paper, the author shows that, as a remedy, a simple lumped scheme yields a full accuracy approximation. Forthermore, some local error bounds independent of the small viscosity axe derived for this scheme outside the boundary layers.

A Posteriori Error Estimate for Streamline Diffusion Method in Soving a Hyperbolic Equation

In this article, we use streamline diffusion method for the linear second order hyperbolic initial-boundary value problem. More specifically, we prove a posteriori error estimates for this method for the linear wave equation. We observe that this error estimates make finite element method increasingly powerful rather than other methods.

AN ASYMPTOTIC BEHAVIOR AND A POSTERIORI ERROR ESTIMATES FOR THE GENERALIZED SCHWARTZ METHOD OF ADVECTION-DIFFUSION EQUATION

In this paper, a posteriori error estimates for the generalized Schwartz method with Dirichlet boundary conditions on the interfaces for advection-diffusion equation with second order boundary value problems are proved by using the Euler time scheme combined with Galerkin spatial method. Furthermore, an asymptotic behavior in Sobolev norm is de- duced using Benssoussau-Lions＇ algorithm. Finally, the results of some numerical experiments are presented to support the theory.

THE LARGE TIME BEHAVIOR OF SPECTRAL APPROXIMATION FOR A CLASS OF PSEUDOPARABOLIC VISCOUS DIFFUSION EQUATION

The asymptotic behavior of the solutions to a class of pseudoparabolic viscous diffusion equation with periodic initial condition is studied by using the spectral method. The semidiscrete Fourier approximate solution of the problem is constructed and the error estimation between spectral approximate solution and exact solution on large time is also obtained. The existence of the approximate attractor AN and the upper semicontinuity d（AN,A） → 0 are proved.

A general solution and approximation for the diffusion of gas in a spherical coal sample

The square root relationship of gas release in the early stage of desorption is widely used to provide a simple and fast estimation of the lost gas in coal mines. However, questions arise as to how the relationship was theoretically derived, what are the assumptions and applicable conditions and how large the error will be. In this paper, the analytical solutions of gas concentration and fractional gas loss for the diffusion of gas in a spherical coal sample were given with detailed mathematical derivations based on the diffusion equation. The analytical solutions were approximated in case of small values of time and the error analyses associated with the approximation were also undertaken. The results indicate that the square root relationship of gas release is the first term of the approximation, and care must be taken in using the square root relationship as a significant error might be introduced with increase in the lost time and decrease in effective diameter of a spherical coal sample.

IDENTIFYING AN UNKNOWN SOURCE IN SPACE-FRACTIONAL DIFFUSION EQUATION

In this paper, we identify a space-dependent source for a fractional diffusion equation. This problem is ill-posed, i.e., the solution （if it exists） does not depend continuously on the data. The generalized Tikhonov regularization method is proposed to solve this problem. An a priori error estimate between the exact solution and its regularized approximation is obtained. Moreover, an a posteriori parameter choice rule is proposed and a stable error estimate is also obtained, Numerical examples are presented to illustrate the validity and effectiveness of this method.

MULTI-SCALE GAUSSIAN PROCESSES MODEL

A novel model named Multi-scale Gaussian Processes (MGP) is proposed. Motivated by the ideas of multi-scale representations in the wavelet theory, in the new model, a Gaussian process is represented at a scale by a linear basis that is composed of a scale function and its different translations. Finally the distribution of the targets of the given samples can be obtained at different scales. Compared with the standard Gaussian Processes (GP) model, the MGP model can control its complexity conveniently just by adjusting the scale pa-rameter. So it can trade-off the generalization ability and the empirical risk rapidly. Experiments verify the fea-sibility of the MGP model, and exhibit that its performance is superior to the GP model if appropriate scales are chosen.

A modified Tikhonov regularization method for a Cauchy problem of a time fractional diffusion equation

In this paper,we consider a Cauchy problem of the time fractional diffusion equation(TFDE)in x∈[0,L].This problem is ubiquitous in science and engineering applications.The illposedness of the Cauchy problem is explained by its solution in frequency domain.Furthermore,the problem is formulated into a minimization problem with a modified Tikhonov regularization method.The gradient of the regularization functional based on an adjoint problem is deduced and the standard conjugate gradient method is presented for solving the minimization problem.The error estimates for the regularized solutions are obtained under Hp norm priori bound assumptions.Finally,numerical examples illustrate the effectiveness of the proposed method.

A new streamline diffusion finite element method for the generalized Oseen problem

This paper aims to present a new streamline diffusion method with low order rectangular Bernardi-Raugel elements to solve the generalized Oseen equations. With the help of the Bramble-Hilbert lemma, the optimal errors of the velocity and pressure are estimated, which are independent of the considered parameter e. With an interpolation postprocessing approach, the superconvergent error of the pressure is obtained. Finally, a numerical experiment is carried out to confirm the theoretical results.

A streamline diffusion nonconforming finite element method for the time-dependent linearized Navier-Stokes equations

A nonconforming finite element method of finite difference streamline diffusion type is proposed to solve the time-dependent linearized Navier-Stokes equations. The backward Euler scheme is used for time discretization. Crouzeix-Raviart nonconforming finite element approximation, namely, nonconforming （P1）2 - P0 element, is used for the velocity and pressure fields with the streamline diffusion technique to cope with usual instabilities caused by the convection and time terms. Stability and error estimates are derived with suitable norms.

GALERKIN METHOD FOR COMPRESSIBLE FLOW OF CONTAMINATION FROM NUCLEAR WASTE WITH MOLECULAR DIFFUSION AND DISPERSION

Abstract A system of quasilinear coupled equations which arise from simulation of contamination of geologic nulear waste in porous media is studied. We’ll discuss Galerkin method for the model of compressible flow with molecular diffusion and dispersion. Some new techniques are introcued to error analysis. Only one dimensional case is considered. The optimal error estimate in both L^2 and H^1 is proved. A contribution of this paper is how the dispersion term can be handled,

Performance analysis of diffusion-based decode-and-forward relay with depleted molecule shift keying

The distance-decay effect of molecular signals makes communication range a major challenge for diffusion-based Molecular Communication(MC).To solve this problem,the intermediate nano-machine is deployed as a relay between the transmitter and its intended receiver nano-machines.In this work,we employ the Depleted Molecule Shift Keying(D-MoSK)to model a Decode-and-Forward(DF)relay communication scheme.The closed-form expression of Bit Error Rate(BER)for the concerned DF relay with D-MoSK is derived.Meanwhile,the maximum a posteriori probability,minimum error probability,and maximum likelihood schemes are formulated for data detection.The relationships between BER and other key parameters,including the number of released molecules,receiving radius,and relay position,are investigated in detail.Simulation results show that the proposed scheme can improve communication reliability significantly.Moreover,the performance gain can be maximized by optimizing the position of the relay and the receiving radius.

Diffusion Based Channel Gains Estimation in WSN Using Fractional Order Strategies

In this study,it is proposed that the diffusion least mean square(LMS)algorithm can be improved by applying the fractional order signal processing methodologies.Application of Caputo’s fractional derivatives are considered in the optimization of cost function.It is suggested to derive a fractional order variant of the diffusion LMS algorithm.The applicability is tested for the estimation of channel parameters in a distributed environment consisting of randomly distributed sensors communicating through wireless medium.The topology of the network is selected such that a smaller number of nodes are informed.In the network,a random sleep strategy is followed to conserve the transmission power at the nodes.The proposed fractional ordermodified diffusionLMS algorithms are applied in the two configurations of combine-then-adapt and adapt-then-combine.The average squared error performance of the proposed algorithms along with its traditional counterparts are evaluated for the estimation of the Rayleigh channel parameters.Amathematical proof of convergence is provided showing that the addition of the nonlinear term resulting from fractional derivatives helps adjusts the autocorrelation matrix in such a way that the spread of its eigenvalues decreases.This increases the convergence as well as the steady state response even for the larger step sizes.Experimental results are shown for different number of nodes and fractional orders.The simulation results establish that the accuracy of the proposed scheme is far better than its classical counterparts,therefore,helps better solves the channel gains estimation problem in a distributed wireless environment.The algorithm has the potential to be applied in other applications related to learning and adaptation.

ANALYSIS AND DISCRETIZATION FOR AN OPTIMAL CONTROL PROBLEM OF A VARIABLE-COEFFICIENT RIESZ-FRACTIONAL DIFFUSION EQUATION WITH POINTWISE CONTROL CONSTRAINTS

We present a mathematical and numerical study for a pointwise optimal control problem governed by a variable-coefficient Riesz-fractional diffusion equation.Due to the impact of the variable diffusivity coefficient,existing regularity results for their constantcoefficient counterparts do not apply,while the bilinear forms of the state(adjoint)equation may lose the coercivity that is critical in error estimates of the finite element method.We reformulate the state equation as an equivalent constant-coefficient fractional diffusion equation with the addition of a variable-coefficient low-order fractional advection term.First order optimality conditions are accordingly derived and the smoothing properties of the solutions are analyzed by,e.g.,interpolation estimates.The weak coercivity of the resulting bilinear forms are proven via the Garding inequality,based on which we prove the optimal-order convergence estimates of the finite element method for the(adjoint)state variable and the control variable.Numerical experiments substantiate the theoretical predictions.

Numerical Solution of Advection Diffusion Equation Using Semi-Discretization Scheme

Numerical diffusion and oscillatory behavior characteristics are averted applying numerical solutions of advection-diffusion equation are themselves immensely sophisticated. In this paper, two numerical methods have been used to solve the advection diffusion equation. We use an explicit finite difference scheme for the advection diffusion equation and semi-discretization on the spatial variable for advection-diffusion equation yields a system of ordinary differential equations solved by Euler’s method. Numerical assessment has been executed with specified initial and boundary conditions, for which the exact solution is known. We compare the solutions of the advection diffusion equation as well as error analysis for both schemes.

Adaptive Finite Element Method for Steady Convection-Diffusion Equation

This paper examines the numerical solution of the convection-diffusion equation in 2-D. The solution of this equation possesses singularities in the form of boundary or interior layers due to non-smooth boundary conditions. To overcome such singularities arising from these critical regions, the adaptive finite element method is employed. This scheme is based on the streamline diffusion method combined with Neumann-type posteriori estimator. The effectiveness of this approach is illustrated by different examples with several numerical experiments.