Homogenization of the heat equation for a domain with a network of pipes with a well-mixed fluid

We consider the linear heat equation in a domain occupied by a solid material with a network of pipes in which a well-mixed fluid is circulating. The temperature of the fluid in the pipe is uniform and its time variation is determined by the thermal flux on the wall of the pipe, plus a given internal source; continuity of the temperature across the pipe is also assumed. We suppose that we deal with a periodic geometry, with cells of size with inclusions of size r_g; we study in detail in the case r, referring to a previous paper for the case r In the limit »0 we get a homogenized equation. The limit depends strongly on the ratio between the time variation of the temperature in the inclusions and the thermal flux through the interface. The homogenized equation has a new specific heat, which depends on the porosity and the constant of proportionality between the time variation of temperature and the flux on the boundary of the pipe. We also have a new thermal conductivity depending on the microstructure, and volume sources appear. The main tool is the energy method and we generalize the classical results for the more standard boundary conditions for parabolic equations. Finally, we consider the network of pipes forming a random ball structure. We prove convergence for this case. The homogenized equation is of the same form as in the periodic case but auxiliary problems are stochastic.     

Some Normal Cryptogroups as Semigroups of Isomorphisms

Given a Clifford semigroup G, we construct special G-operands L and R which we term conformai. Certain suboperands of L and R we call threads and fix some special G-isomorphisms, which we term coherent, of threads in R onto threads in L. On the set of all coherent G-isomorphisms of threads in L onto threads in R we define a sandwich-type multiplication. When we restrict our threads to be cyclic suboperands of L and R, this construction produces a normal cryptogroup which we represent as $ S=[Y;S_{\alpha},\chi_{{\alpha},{\beta}}] $ -Without any restriction on the threads this produces a semigroup isomorphic with a remarkable ideal of the translational hull of S. Conversely, given a strong semilattice of completely simple semigroups, satisfying certain conditions, we can represent it isomorphically as indicated above.     

A parallel projection method for overdetermined nonlinear systems of equations

We consider overdetermined nonlinear systems of equationsF(x)=0, whereF: ^{n m} ,mn. For this type of systems we define weighted least square distance (WLSD) solutions, which represent an alternative to classical least squares solutions and to other solutions based on residual normas. We introduce a generalization of the classical method of Cimmino for linear systems and we prove local convergence results. We introduce a practical strategy for improving the global convergence properties of the method. Finally, numerical experiments are presented.Work supported by FAPESP (Grant 90/3724/6), FINEP, CNPq and FAEP-UNICAMP.     

Approximation du temps local des surfaces gaussiennes

Summary LetX be a centered stationary Gaussian stochastic process with ad-dimensional parameter (d2),F its spectral measure, (x denotes the Euclidean norm ofx). We consider regularizations of the trajectories ofX by means of convolutions of the formX (t)=( *X)(t) where stands for an approximation of unity (as tends to zero) satisfying certain regularity conditions.The aim of this paper is to recover the local time ofX at a given levelu, as a limit of appropriate normalizations of the geometric measure of theu-level set of the regular approximating processesX . A part of the difficulties comes from the fact that the geometric behavior of the covariance of the Gaussian processX can be a complex one as approaches O.The results are onL ²-convergence and include bounds for the speed of convergence.L ^presults may be obtained in similar ways, but almost sure convergence or simultaneous convergence for the various values ofu do not seem to follow from our methods. In Sect. 3 we have included examples showing a diversity of geometric behaviors, especially in what concerns the dependence on the thickness of the set in which the covariance of the original processX is irregular.Some technical results of analytic nature are included as appendices in Sect. 4.     

Kinetic study of nickel(II) complexation by pteroylglutamic acid

The kinetics of the complexation of NiII by pteroylglutamic acid have been studied in the 545 ∘C range, the ionic strength (0.6 M) being regulated with KNO3, in the 5.5–7.0pH range, using the stopped-flow method. Under the experimental conditions two processes were observed. The faster process was detected in the millisecond range and is associated with the reaction between NiII and the ligand. The slower is observed within a few seconds. Complementary equilibrium studies were made at 25 ∘C. The results are consistent with the formation of a 1:1 complex between the reactants, and a mechanism is proposed to account for the observed behaviour. Equilibrium constants for the NiII plus pteroylglutamic acid system, as well as activation parameters, are reported. This revised version was published online in June 2006 with corrections to the Cover Date.     

Ab initio molecular dynamics simulation of a room temperature ionic liquid

Ab initio molecular dynamics simulations have been performed for the first time on the room-temperature organic ionic liquid dimethyl imidazolium chloride [DMIM][Cl] using density functional theory. The aim is to compare the local liquid structure with both that obtained from two different classical force fields and from neutron scattering experiments. The local structure around the cation shows significant differences compared to both the classical calculations and the neutron results. In particular, and unlike in the gas-phase ion pair, chloride ions tend to be located near a ring C-H proton in a position suggesting hydrogen bonding. The results are used to suggest ways in which the classical potentials may be improved.     

Convergence properties of Hartree–Fock SCF molecular calculations

Hartree-Fock equations are viewed as nonlinear algebraic equations that can be solved iteratively. Provided we assume the existence of a solution, valuable properties of convergence may be assessed. The close connection between convergence of the SCF procedure and stability properties of the solution is shown from a nonapproximate standpoint. The convergence features of level-shifting convergence-forcing techniques are analyzed. The connection between this nonlinear algebraic approach and the related gap equation is displayed and the example of the restricted Hartree-Fock hydrogen molecule is discussed.     

Conductance of potassium halides near the temperature of maximum density of water

The conductances of dilute aqueous solutions of KCl, KBr, and KI have been measured over the temperature range 2 to 8°C and have been analyzed by the Fuoss-Hsia equation. The ionic Walden products at infinite dilution have been discussed in terms of local viscosity. The temperature dependence of these products suggest that near the temperature of maximum density of water, the structure-breaking ability of these ions changes in a regular way.