An implementation of the coupled perturbed Kohn-Sham equations: perturbation due to nuclear displacements

The Coupled Perturbed Kohn-Sham equations have been implemented in the Amsterdam Density Functional program package. Our implementation differs from previous ones in many ways. This program uses density fitting to calculate the Coulomb and exchange integrals. Further, all matrix elements of the Fock type matrix and its derivatives are calculated by numerical integration. The frozen core approximation is also implemented. Our implementation is approximately 10 times faster than a finite difference algorithm, and the absolute CPU times also compare favorably with other reported implementations.     

The Evolution of Concurrent Programs

Process algebra are formal languages used for the rigorous specification and analysis of concurrent systems. By using a process algebra as the target language of a genetic programming system, the derivation of concurrent programs satisfying given problem specifications is possible. A genetic programming system based on Koza's model has been implemented. The target language used is Milner's CCS process algebra, and is chosen for its conciseness and simplicity. The genetic programming environment needs a few adaptations to the computational characteristics of concurrent programs. In particular, means for efficiently controlling the exponentially large computation spaces that are common with process algebra must be addressed. Experimental runs of the system successfully evolved a number of non–iterative CCS systems, hence proving the potential of evolutionary approaches to concurrent system development.     

Pseudospectral methods for optimal motion planning of differentially flat systems

The article presents some preliminary results on combining two new ideas from nonlinear control theory and dynamic optimization. We show that the computational framework facilitated by pseudospectral methods applies quite naturally and easily to Fliess' implicit state variable representation of dynamical systems. The optimal motion planning problem for differentially flat systems is equivalent to a classic Bolza problem of the calculus of variations. We exploit the notion that derivatives of flat outputs given in terms of Lagrange polynomials at Legendre-Gauss-Lobatto points can be quickly computed using pseudospectral differentiation matrices. Additionally, the Legendre pseudospectral method approximates integrals by Gauss-type quadrature rules. The application of this method to the two-dimensional crane model reveals how differential flatness may be readily exploited.     

Modeling frequency-dependent losses in ferrite cores

We suggest a practical approach for modeling frequency-dependent losses in ferrite cores for circuit simulation. Previous work has concentrated on the effect of eddy-current losses on the shape of the B--H loop, but in this paper we look at the problem from the perspective of energy loss and propose a different network for accurately modeling power loss in ferrite cores. In power applications, the energy loss across the frequency range can have a profound effect on the efficiency of the system, and a simple ladder network in the magnetic domain is not always adequate for this task. Simulations and measurements demonstrate the difference in this approach from the RL ladder network models both in the small-signal and large-signal contexts.     

Objectivity in the Eye of the Beholder: Divergent Perceptions of Bias in Self Versus Others.

Important asymmetries between self-perception and social perception arise from the simple fact that other people's actions, judgments, and priorities sometimes differ from one's own. This leads people not only to make more dispositional inferences about others than about themselves (E. E. Jones & R. E. Nisbett, 1972) but also to see others as more susceptible to a host of cognitive and motivational biases. Although this blind spot regarding one's own biases may serve familiar self-enhancement motives, it is also a product of the phenomenological stance of naive realism. It is exacerbated, furthermore, by people's tendency to attach greater credence to their own introspections about potential influences on judgment and behavior than they attach to similar introspections by others. The authors review evidence, new and old, of this asymmetry and its underlying causes and discuss its relation to other psychological phenomena and to interpersonal and intergroup conflict. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Development of the large neutron imaging system for inertial confinement fusion experiments

Inertial confinement fusion (ICF) requires a high resolution (~10 μm) neutron imaging system to observe deuterium and tritium (DT) core implosion asymmetries. A new large (150 mm entrance diameter: scaled for Laser Me?gaJoule [P. A. Holstein, F. Chaland, C. Charpin, J. M. Dufour, H. Dumont, J. Giorla, L. Hallo, S. Laffite, G. Malinie, Y. Saillard, G. Schurtz, M. Vandenboomgaerde, and F. Wagon, Laser and Particle Beams 17, 403 (1999)]) neutron imaging detector has been developed for such ICF experiments. The detector has been fully characterized using a linear accelerator and a (60)Co γ-ray source. A penumbral aperture was used to observe DT-gas-filled target implosions performed on the OMEGA laser facility. [T. R. Boehly, D. L. Brown, R. S. Craxton, R. L. Keck, J. P. Knauer, J. H. Kelly, T. J. Kessler, S. A. Kumpan, S. J. Loucks, S. A. Letzring, F. J. Marshall, R. L. McCrory, S. F. B. Morse, W. Seka, J. M. Soures, and C. P. Verdon, Opt. Commun. 133, 495 (1997)] Neutron core images of 14 MeV with a resolution of 15 μm were obtained and are compared to x-ray images of comparable resolution.     

Preparation and assessment of frozen-hydrated sections of mammalian tissue for electron microscopy and X-ray microprobe analysis

A system is described for preparing and examining frozen-hydrated sections of mammalian tissue, using commercially available equipment. An essential part of the system is a liquid nitrogen cooled vacuum transfer system. Minor modifications were required to interface the various manufacturers' equipment, and also to facilitate handling of specimens in the cryoultramicrotome. A variety of criteria indicates that our sections are truly frozen-hydrated, but negligible image contrast in the sections is a serious problem both for morphological work and X-ray microanalysis.     

A RAPID YES-NO COMPUTER-AIDED COMMUNICATOR

Abstract

When attacking the German Enigma cipher machine during the 1930s, the Polish mathematician Marian Rejewski developed a catalog of disjoint cycles of permutations generated by Enigma indicators. By comparing patterns that resulted from message indicators with his catalog, Rejewski was able to determine the ground settings. Well, not quite—the mapping from the disjoint cycles to the ground settings is not one-to-one. Rejewski's catalog no longer exists. This article reports on the output of a program that “recreates” the catalog and answers the question “How far from being one-to-one is the mapping?”     

Statistical analysis of manual segmentations of structures in medical images

The problem of extracting anatomical structures from medical images is both very important and difficult. In this paper we are motivated by a new paradigm in medical image segmentation, termed Citizen Science, which involves a volunteer effort from multiple, possibly non-expert, human participants. These contributors observe 2D images and generate their estimates of anatomical boundaries in the form of planar closed curves. The challenge, of course, is to combine these different estimates in a coherent fashion and to develop an overall estimate of the underlying structure. Treating these curves as random samples, we use statistical shape theory to generate joint inferences and analyze this data generated by the citizen scientists. The specific goals in this analysis are: (1) to find a robust estimate of the representative curve that provides an overall segmentation, (2) to quantify the level of agreement between segmentations, both globally (full contours) and locally (parts of contours), and (3) to automatically detect outliers and help reduce their influence in the estimation. We demonstrate these ideas using a number of artificial examples and real applications in medical imaging, and summarize their potential use in future scenarios.