Two-electron bond-orbital model, 2

The two-electron bond-orbital model of tetrahedrally-coordinated solids is generalized and its application extended. All intrabond matrix elements entering the formalism are explicitly retained, including the direct overlap S between the anion and cation sp3 hybrid wavefunctions. Complete analytic results are obtained for the six two-electron eigenvalues and eigenstates of the anion-cation bond in terms of S, one-electron parameters V2 and V3, and two-electron correlation parameters V4, V5 and V6. Refined formulas for the dielectric constant and the nuclear exchange and pseudodipolar coefficients, as well as new expressions for the valence electron density, polarity of the bond and the cohesive energy, are then derived. The theory gives a good account of the experimentally observed trends in all properties considered and approximate quantitative agreement is achieved for the pseudodipolar coefficient

Evolutionary Algorithms for Reinforcement Learning

There are two distinct approaches to solving reinforcement learning problems, namely, searching in value function space and searching in policy space. Temporal difference methods and evolutionary algorithms are well-known examples of these approaches. Kaelbling, Littman and Moore recently provided an informative survey of temporal difference methods. This article focuses on the application of evolutionary algorithms to the reinforcement learning problem, emphasizing alternative policy representations, credit assignment methods, and problem-specific genetic operators. Strengths and weaknesses of the evolutionary approach to reinforcement learning are presented, along with a survey of representative applications

Margins within margins?: voices Speaking through a study of the provision of an educational program for the children of one Australian show circuit

This paper examines the tactics used by the Showmen's Guild of Australasia in successfully lobbying for the development of a distance education program for their children. The Guild is considered to be a 'marginalized' group, meaning members have less access to wealth, power, and status. Since 1930, members of the Showmen's Guild and their families have traveled from town to town providing agricultural and equestrian shows. Despite the diversity of backgrounds and experiences among people connected with the show circuit, the Guild is highly organized and has been politically active. Informal sanctions have been effective in enforcing group discipline and in presenting the image of a single body of opinion. In addition, investment in sophisticated machinery and technology has resulted in show people having the financial resources to buy homes and have a political voice via more 'normalized channels'. Although members learn early that they are a marginalized group and are perceived as different from the mainstream, the group maintains close ties and often celebrates its difference. Implications for educational program development center on the goals of educational programs designed for disadvantaged groups, and the status of other marginalized groups and their efforts to contest their marginalized status. (LP

Transition-metal interactions in aluminum-rich intermetallics

The extension of the first-principles generalized pseudopotential theory (GPT) to transition-metal (TM) aluminides produces pair and many-body interactions that allow efficient calculations of total energies. In aluminum-rich systems treated at the pair-potential level, one practical limitation is a transition-metal over-binding that creates an unrealistic TM-TM attraction at short separations in the absence of balancing many-body contributions. Even with this limitation, the GPT pair potentials have been used effectively in total-energy calculations for Al-TM systems with TM atoms at separations greater than 4 AA. An additional potential term may be added for systems with shorter TM atom separations, formally folding repulsive contributions of the three- and higher-body interactions into the pair potentials, resulting in structure-dependent TM-TM potentials. Towards this end, we have performed numerical ab-initio total-energy calculations using VASP (Vienna Ab Initio Simulation Package) for an Al-Co-Ni compound in a particular quasicrystalline approximant structure. The results allow us to fit a short-ranged, many-body correction of the form a(r_0/r)^{b} to the GPT pair potentials for Co-Co, Co-Ni, and Ni-Ni interactions.Comment: 18 pages, 5 figures, submitted to PR

Two-electron bond-orbital model, 1

Harrison's one-electron bond-orbital model of tetrahedrally coordinated solids was generalized to a two-electron model, using an extension of the method of Falicov and Harris for treating the hydrogen molecule. The six eigenvalues and eigenstates of the two-electron anion-cation Hamiltonian entering this theory can be found exactly general. The two-electron formalism is shown to provide a useful basis for calculating both non-magnetic and magnetic properties of semiconductors in perturbation theory. As an example of the former, expressions for the electric susceptibility and the dielectric constant were calculated. As an example of the latter, new expressions for the nuclear exchanges and pseudo-dipolar coefficients were calculated. A simple theoretical relationship between the dielectric constant and the exchange coefficient was also found in the limit of no correlation. These expressions were quantitatively evaluated in the limit of no correlation for twenty semiconductors

Silicon superlattices: Theory and application to semiconductor devices

Silicon superlattices and their applicability to improved semiconductor devices were studied. The device application potential of the atomic like dimension of III-V semiconductor superlattices fabricated in the form of ultrathin periodically layered heterostructures was examined. Whether this leads to quantum size effects and creates the possibility to alter familiar transport and optical properties over broad physical ranges was studied. Applications to improved semiconductor lasers and electrondevices were achieved. Possible application of silicon sperlattices to faster high speed computing devices was examined. It was found that the silicon lattices show features of smaller fundamental energyband gaps and reduced effective masses. The effects correlate strongly with both the chemical and geometrical nature of the superlattice

Silicon superlattices. 2: Si-Ge heterostructures and MOS systems

Five main areas were examined: (1) the valence-and conduction-band-edge electronic structure of the thin layer ( 11 A) silicon-superlattice systems; (2) extension of thin-layer calculations to layers of thickness 11 A, where most potential experimental interest lies; (3) the electronic structure of thicker-layer (11 to 110 A) silicon superlattices; (4) preliminary calculations of impurity-scattering-limited electron mobility in the thicker-layer superlattices; and (5) production of the fine metal lines that would be required to produce on MOS superlattice

Procuring load curtailment from local customers under uncertainty

J.M. was supported by EPSRC grant no. EP/K00557X/2, A.M. was partially supported by EPSRC grant EP/P003818/1 and J.V. by a President’s PhD Scholarship from Imperial College London

A Metropolis-class sampler for targets with non-convex support

We aim to improve upon the exploration of the general-purpose random walk Metropolis algorithm when the target has non-convex support A⊂Rd, by reusing proposals in Ac which would otherwise be rejected. The algorithm is Metropolis-class and under standard conditions the chain satisfies a strong law of large numbers and central limit theorem. Theoretical and numerical evidence of improved performance relative to random walk Metropolis are provided. Issues of implementation are discussed and numerical examples, including applications to global optimisation and rare event sampling, are presented

Reflected Brownian motion in a wedge: sum-of-exponential stationary densities

We give necessary and sufficient conditions for the stationary density of semimartingale reflected Brownian motion in a wedge to be written as a finite sum of terms of exponential product form. Relying on geometric ideas reminiscent of the reflection principle, we give an explicit formula for the density in such cases