Tb(III) Speciation in Human Blood Plasma by Computer Simulation

With the wide application of rare earth fertilizer and medicines1, more and more rare earths enter into environment, and also into human body via food chain. Now it is very urgent to study the biological effect of rare earths on human health and environment. After entering into human body by whatever route, lanthanide ions are transported to secondary deposition sites mainly via the plasma in the blood stream. So it is very important to study lanthanides speciation in human blood plasma. Becau…     

A comparison between a collocation and weak implementation of the rigid‐body motion constraint on a particle surface

In this work, we implemented and compared two different methods to impose the rigid‐body motion constraint on a solid particle moving inside a fluid. We consider a fictitious domain method to easily manage the particle motion. As the solid as well as the fluid inertia are neglected, the particle can be discretized through its boundary only. The rigid‐body motion is imposed via Lagrange multipliers on the boundary. In the first method, such constraints are imposed in discrete points on the boundary (collocation), whereas in the second the constraint is imposed in a weak way on elements dividing the particle surface. Two test problems, that is, a spherical and an ellipsoidal particle in a sheared Newtonian fluid, are chosen to compare the methods. In both cases, the analysis is carried out in 2D as well as in 3D. The results show that for the collocation method an optimal number of collocation points exist leading to the smallest error. However, small variations in the optimal value can generate large deviations. In the weak implementation, the error is only mildly affected by the number of elements used to discretize the particle boundary and by the Lagrange multiplier's interpolation space. A further analysis is carried out to study the effect of an approximated integration of weak constraints. A comparison between the two methods showed that the same accuracy can be achieved by using less constraints if the weak discretization is used. Finally, the rigid‐body motion imposed via weak constraints leads to better conditioned linear systems. Copyright © 2009 John Wiley & Sons, Ltd.     

The unstable behavior of cellular premixed flames induced by intrinsic instability

The unstable behavior of cellular premixed flames induced by intrinsic instability is studied by two-dimensional unsteady calculations of reactive flows. In the present numerical simulation, the compressible Navier–Stokes equation including a one-step irreversible chemical reaction is employed. We consider two basic types of phenomena to account for the intrinsic instability of premixed flames, i.e., hydrodynamic and diffusive-thermal effects. The hydrodynamic effect is caused by the thermal expansion through the flame front; the diffusive-thermal effect is caused by the preferential diffusion of mass versus heat. A disturbance with several wavelength components is superimposed on a planar flame, and the formation of a cellular flame induced by hydrodynamic and diffusive-thermal effects is numerically simulated. After the cellular-flame formation, the combination and division of cells are observed. The behavior of cellular-flame fronts becomes more unstable when the Lewis number is lower than unity, since the diffusive-thermal effect has a great influence on the unstable behavior. The cell size changes with time, and its average is greater than the critical wavelength and becomes smaller by decreasing the Lewis number. The flame velocity of cellular flames depends strongly on the length of computational domain in the direction tangential to the flame front. As the length of computational domain increases, the flame velocity becomes larger. This is because the long-wavelength components of disturbances play an important role in the shape of cellular flames, i.e., in the flame-surface area.     

爆炸力学数值模拟中本构建模问题的讨论

就爆炸力学数值模拟中的本构建模问题的有关内容作了讨论,包括:波传播研究与材料的动态特性研究的相互依赖、容变律与畸变律的解耦与耦合、率型本构关系与失效准则、应变率效应与温度效应的等效性、加载本构关系与卸载本构关系以及流变过程与损伤演化过程的耦合等,并展望了今后的有关发展动向。     

Assessment of conservative weighting scheme in simulating chemical vapour deposition with trace species

Low‐pressure or ultra‐high vacuum chemical vapour deposition often involves important trace species in both gas‐phase and surface reactions. The conservative weighting scheme (J. Thermophys. Heat Transfer 1996; 10 (4) : 579) has been used to deal with the trace species often involved in some non‐reactive physical processes, which is otherwise considered computationally impossible using the conventional DSMC method. This conservative weighting scheme (CWS) improves greatly the statistical uncertainties by decreasing the weighting factors of trace‐species particles and ensures the conservation of both momentum and energy between two colliding particles with large difference of weighting factors. This CWS is further extended to treat reactive processes for gas‐phase and surface reactions with trace species, which is called extended conservative weighting scheme (ECWS). A single‐cell equilibrium simulation is performed for verifying both the CWS and ECWS in treating trace species. The results of using CWS show that it is most efficient and accurate for weight ratio (trace to non‐trace) equal to or less than 0.01 for flows with two and three species. The results of a single‐cell simulation using ECWS for gas‐phase reaction and surface reactions show that only ECWS can produce acceptable results with reasonable computational time. Copyright © 2003 John Wiley & Sons, Ltd.     

视网膜皮层图像信号处理的传输机制与仿真

侧抑制是神经系统普遍存在的机理。从侧抑制模型出发进行了视网膜处理及传输机制的研究,提出了基于差分方程的循环侧抑制动态数学模型。通过剖析视网膜感应细胞对光刺激的反应特性,阐述了视网膜皮层电脉冲信号的发放机制,指出了视网膜输出信号是以物体边缘信息为主体的传输机制。结合循环侧抑制动态数学模型,并考虑视网膜感应细胞对光刺激的适应性,创新性地进行了图像信号传递及处理的仿真模拟。     

Instrumental Requirements for Non-Invasive Blood Glucose Measurement Using NIR Spectroscopy

The magnitude of spectral change in blood glucose measurements with diffuse reflectance spectroscopy is investigated. Spectral change is estimated by simulation of light propagation in skin tissue and measurements of absorbance spectra of aqueous glucose solution. Required sensitivity of spectrophotometers for monitoring change in the blood glucose concentration as small as 10 mg/dL has been obtained using the estimated change in the absorbance spectrum and mean pathlength of light in tissue.     

Universal Alignment Probabilities and Subset Selection for Ordinal Optimization

We examine in this paper the subset selection procedure in the context of ordinal optimization introduced in Ref. 1. Major concepts including goal softening, selection subset, alignment probability, and ordered performance curve are formally introduced. A two-parameter model is devised to calculate alignment probabilities for a wide range of cases using two different selection rules: blind pick and horse race. Our major result includes the suggestion of quantifiable subset selection sizes which are universally applicable to many simulation and modeling problems, as demonstrated by the examples in this paper.     

Efficient computation of mean drag for the subcritical flow past a circular cylinder using general Galerkin G2

General Galerkin (G2) is a new computational method for turbulent flow, where a stabilized Galerkin finite element method is used to compute approximate weak solutions to the Navier–Stokes equations directly, without any filtering of the equations as in a standard approach to turbulence simulation, such as large eddy simulation, and thus no Reynolds stresses are introduced, which need modelling. In this paper, G2 is used to compute the drag coefficient c_D for the flow past a circular cylinder at Reynolds number Re=3900, for which the flow is turbulent. It is found that it is possible to approximate c_D to an accuracy of a few percent, corresponding to the accuracy in experimental results for this problem, using less than 10⁵ mesh points, which makes the simulations possible using a standard PC. The mesh is adaptively refined until a stopping criterion is reached with respect to the error in a chosen output of interest, which in this paper is c_D. Both the stopping criterion and the mesh‐refinement strategy are based on a posteriori error estimates, in the form of a space–time integral of residuals times derivatives of the solution of a dual problem, linearized at the approximate solution, and with data coupling to the output of interest. Copyright © 2008 John Wiley & Sons, Ltd.