Spin distributions in antiferromagnetically coupled Mn2+Cu2+ systems: from the pair to the infinite chain

Probably the most informative description of the ground slate of a magnetic molecular species is provided by the spin density map. Such a map may be experimentally obtained from polarized neutron diffraction (PND) data or theoretically calculated using quantum chemical approaches. Density functional theory (DFT) methods have been proved to be well-adapted for this. Spin distributions in one-dimensional compounds may also be computed using the density matrix renormalization group (DMRG) formalism. These three approaches, PND, DFT, and DMRG, have been utilized to obtain new insights on the ground state of two antiferromagnetically coupled Mn2+Cu2+ compounds, namely [Mn(Me-6-[14]ane-N-4)Cu(oxpn)](CF3SO3)(2) and MnCu(pba)(H2O)(3) . 2H(2)O, with Me-6-[14]ane-N-4 = (+/-)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, oxpn = N,N'-bis(3-aminopropyl)oxamido and pba = 1,3-propylenebis(oxamato). Three problems in particular have been investigated: the spin distribution in the mononuclear precursors [Cu(oxpn)] and [Cu(pba)](2-), the spin density maps in the two Mn2+Cu2+ compounds, and the evolution of the spin distributions on the Mn2+ and Cu2+ sites when passing from a pair to a one-dimensional ferrimagnet.

An inverse problem for the Helmholtz equation involving two semi-infinite fluids

An analytical method is developed for solving an inverse problem for Helmholtz's equation associated with two semi-infinite incompressible fluids of different variable refractive indices, separated by a plane interface. The unknowns of the inverse problem are: (i) the refractive indices of the two fluids, (ii) the ratio of the densities of the two fluids, and (iii) the strength of an acoustic source assumed to be situated at the interface of the two fluids. These are determined from the pressure on the interface produced by the acoustic source. The effect of the surface tension force at the interface is taken into account in this paper. The application of the proposed analytical method to solve the inverse problem is also illustrated with several examples. In particular, exact solutions of two direct problems are first derived using standard classical methods which are then used in our proposed inverse method to recover the unknowns of the corresponding inverse problems. The results are found to be in excellent agreement.

An Actor-Critic Algorithm for Finite Horizon Markov Decision Processes

We develop a simulation based algorithm for finite horizon Markov decision processes with finite state and finite action space. Illustrative numerical experiments with the proposed algorithm are shown for problems in flow control of communication networks and capacity switching in semiconductor fabrication.

On porous wave maker problems

The problem of generation of surface water waves at tile interface of two immiscible liquids by a onesided porous wave maker is studied in both the cases of water of infinite as well as finite depth by suitable application of the generalisation of Havelock's expansion theorem. The solution of the the problem of reflection of water waves due to a fixed porous wall is derived as a particular case.

Infinite push: a new support vector ranking algorithm that directly optimizes accuracy at the absolute top of the list

Ranking problems have become increasingly important in machine learning and data mining in recent years, with applications ranging from information retrieval and recommender systems to computational biology and drug discovery. In this paper, we describe a new ranking algorithm that directly maximizes the number of relevant objects retrieved at the absolute top of the list. The algorithm is a support vector style algorithm, but due to the different objective, it no longer leads to a quadratic programming problem. Instead, the dual optimization problem involves l1, ∞ constraints; we solve this dual problem using the recent l1, ∞ projection method of Quattoni et al (2009). Our algorithm can be viewed as an l∞-norm extreme of the lp-norm based algorithm of Rudin (2009) (albeit in a support vector setting rather than a boosting setting); thus we refer to the algorithm as the ‘Infinite Push’. Experiments on real-world data sets confirm the algorithm’s focus on accuracy at the absolute top of the list.

Optimality Conditions and Duality for Semi-Infinite Mathematical Programming Problem with Equilibrium Constraints

This article considers a semi-infinite mathematical programming problem with equilibrium constraints (SIMPEC) defined as a semi-infinite mathematical programming problem with complementarity constraints. We establish necessary and sufficient optimality conditions for the (SIMPEC). We also formulate Wolfe- and Mond-Weir-type dual models for (SIMPEC) and establish weak, strong and strict converse duality theorems for (SIMPEC) and the corresponding dual problems under invexity assumptions.

Closed form solutions of T-stress in plane elasticity crack problems

The T-stress is considered as an important parameter in linear elastic fracture mechanics. In this paper, several closed form solutions of T-stress in plane elasticity crack problems in an infinite plate are investigated using the complex potential theory. In the line crack case, if the applied loading is the remote stress or the concentrated forces, the T-stress can be derived from the basic field. Here, the basic field is defined as the field caused by the applied loading in the infinite plate without the crack. For the circular are crack, the T-stress can be abstracted from a known solution. For the cusp crack problems, the T-stress can be separated from the obtained stress solution for which the conformal mapping technique is used.

The mixed-type integral equations for transient elastodynamic plane crack problems

In the present paper, by use of the boundary integral equation method and the techniques of Green fundamental solution and singularity analysis, the dynamic infinite plane crack problem is investigated. For the first time, the problem is reduced to solving a system of mixed-typed integral equations in Laplace transform domain. The equations consist of ordinary boundary integral equations along the outer boundary and Cauchy singular integral equations along the crack line. The equations obtained are strictly proved to be equivalent with the dual integral equations obtained by Sih in the special case of dynamic Griffith crack problem. The mixed-type integral equations can be solved by combining the numerical method of singular integral equation with the ordinary boundary element method. Further use the numerical method for Laplace transform, several typical examples are calculated and their dynamic stress intensity factors are obtained. The results show that the method proposed is successful and can be used to solve more complicated problems.

Some approximate solutions of dynamic problems in the linear theory of thin elastic shells

Some aspects of wave propagation in thin elastic shells are considered. The governing equations are derived by a method which makes their relationship to the exact equations of linear elasticity quite clear. Finite wave propagation speeds are ensured by the inclusion of the appropriate physical effects.

The problem of a constant pressure front moving with constant velocity along a semi-infinite circular cylindrical shell is studied. The behavior of the solution immediately under the leading wave is found, as well as the short time solution behind the characteristic wavefronts. The main long time disturbance is found to travel with the velocity of very long longitudinal waves in a bar and an expression for this part of the solution is given.

When a constant moment is applied to the lip of an open spherical shell, there is an interesting effect due to the focusing of the waves. This phenomenon is studied and an expression is derived for the wavefront behavior for the first passage of the leading wave and its first reflection.

For the two problems mentioned, the method used involves reducing the governing partial differential equations to ordinary differential equations by means of a Laplace transform in time. The information sought is then extracted by doing the appropriate asymptotic expansion with the Laplace variable as parameter.

On the optimal usage of labelled examples in semi-supervised multi-class classification problems

In recent years, the performance of semi-supervised learning has been theoretically investigated. However, most of this theoretical development has focussed on binary classification problems. In this paper, we take it a step further by extending the work of Castelli and Cover [1] [2] to the multi-class paradigm. Particularly, we consider the key problem in semi-supervised learning of classifying an unseen instance x into one of K different classes, using a training dataset sampled from a mixture density distribution and composed of l labelled records and u unlabelled examples. Even under the assumption of identifiability of the mixture and having infinite unlabelled examples, labelled records are needed to determine the K decision regions. Therefore, in this paper, we first investigate the minimum number of labelled examples needed to accomplish that task. Then, we propose an optimal multi-class learning algorithm which is a generalisation of the optimal procedure proposed in the literature for binary problems. Finally, we make use of this generalisation to study the probability of error when the binary class constraint is relaxed.

Applications of plasticity theory to selected problems in soil mechanics

Two topics in plane strain perfect plasticity are studied using the method of characteristics. The first is the steady-state indentation of an infinite medium by either a rigid wedge having a triangular cross section or a smooth plate inclined to the direction of motion. Solutions are exact and results include deformation patterns and forces of resistance; the latter are also applicable for the case of incipient failure. Experiments on sharp wedges in clay, where forces and deformations are recorded, showed a good agreement with the mechanism of cutting assumed by the theory; on the other hand the indentation process for blunt wedges transforms into that of compression with a rigid part of clay moving with the wedge. Finite element solutions, for a bilinear material model, were obtained to establish a correspondence between the response of the plane strain wedge and its axi-symmetric counterpart, the cone. Results of the study afford a better understanding of the process of indentation of soils by penetrometers and piles as well as the mechanism of failure of deep foundations (piles and anchor plates).

The second topic concerns the plane strain steady-state free rolling of a rigid roller on clays. The problem is solved approximately for small loads by getting the exact solution of two problems that encompass the one of interest; the first is a steady-state with a geometry that approximates the one of the roller and the second is an instantaneous solution of the rolling process but is not a steady-state. Deformations and rolling resistance are derived. When compared with existing empirical formulae the latter was found to agree closely.

Robust variable horizon MPC with move blocking

This paper introduces a new formulation of variable horizon model predictive control (VH-MPC) that utilises move blocking for reducing computational complexity. Various results pertaining to move blocking are derived, following which, a generalised blocked VH-MPC controller is formulated for linear discrete-time systems. Robustness to bounded disturbances is ensured through the use of tightened constraints. The resulting time-varying control scheme is shown to guarantee robust recursive feasibility and finite-time completion. An example is then presented for a particular choice of blocking regime, as would be applicable to vehicle manœuvring problems. Simulations demonstrate the efficacy of the formulation. © 2012 Elsevier B.V. All rights reserved.

A new inversion procedure for confocal scanning microscopy and other bandlimited signal processing problems

We find a simple analytic expression for the inverse of an infinite matrix related to the problem of data reduction in confocal scanning microscopy and other band-limited signal processing problems. Potential applications of this result to practical problems are outlined. The matrix arises from a sampling expansion approach to the integral equation.

Some current problems in perovskite nano-ferroelectrics and multiferroics: kinetically-limited systems of finite lateral size

We describe some unsolved problems of current interest; these involve quantum critical points in
ferroelectrics and problems which are not amenable to the usual density functional theory, nor to
classical Landau free energy approaches (they are kinetically limited), nor even to the Landau–
Kittel relationship for domain size (they do not satisfy the assumption of infinite lateral diameter)
because they are dominated by finite aperiodic boundary conditions.

On Infinite Time Performance of Nonlinear Model Predictive Controllers

This paper addresses the problem of infinite time performance of model predictive controllers applied to constrained nonlinear systems. The total performance is compared with a finite horizon optimal cost to reveal performance limits of closed-loop model predictive control systems. Based on the Principle of Optimality, an upper and a lower bound of the ratio between the total performance and the finite horizon optimal cost are obtained explicitly expressed by the optimization horizon. The results also illustrate, from viewpoint of performance, how model predictive controllers approaches to infinite optimal controllers as the optimization horizon increases.