Atomistic simulations of grain boundary migration in copper

While the motion of twist boundaries can be readily studied by atomistic simulations with molecular dynamics (MD) under the action of an elastic driving force, the approach fails for tilt boundaries. This is due to the interaction of the elastic stress with the grain boundary (GB) structure, which causes plastic strain by GB sliding. A novel concept, the orientation correlated driving force, is introduced to circumvent this problem. It is shown that this concept can be successfully applied to the study of the migration of tilt boundaries. The migration behavior of several twist and tilt GBs was investigated. The transition from low-to high-angle boundaries can be captured, and a structural transition of tilt boundaries was found at high temperatures, which also affected the migration behavior. The results compare well with experimental results of the motion high-angle boundaries, but for low-angle boundaries, the agreement is poor. This article is based on a presentation made in the “Hillert Symposium on Thermodynamics & Kinetics of Migrating Interfaces in Steels and Other Complex Alloys,” December 2–3, 2004, organized by The Royal Institute of Technology in Stockholm, Sweden.     

Miniaturized coplanar waveguide stop band filters based on multiple tuned split ring resonators

A novel compact stop band filter consisting of a 50 /spl Omega/ coplanar waveguide (CPW) with split ring resonators (SRRs) etched in the back side of the substrate is presented. By aligning SRRs with the slots, a high inductive coupling between line and rings is achieved, with the result of a sharp and narrow rejection band in the vicinity of the resonant frequency of the rings. In order to widen the stop band of the filter, several ring pairs tuned at equally spaced frequencies within the desired gap are cascaded. The frequency response measured in the fabricated prototype device exhibits pronounced slopes at either side of the stop band and near 0 dBs insertion loss outside that band. Since SRR dimensions are much smaller than signal wavelength, the proposed filters are extremely compact and can be used to reject frequency parasitics in CPW structures by simply patterning properly tuned SRRs in the back side metal. Additional advantages are easy fabrication and compatibility with MMIC or PCB technology.     

Techniques for microstructural characterization of powder-processed nickel-based superalloys

Methods are described for sample preparation of polycrystalline Ni-based superalloys in order to perform a detailed microstructural characterization. Specific techniques for the precise definition of the various phases present are outlined and these are shown to be useful for the measurement of size, volume fractions and distribution. A number of optical, scanning and transmission microscopy techniques are used to provide the necessary information.     

Implicit Leadership Theories in Applied Settings: Factor Structure, Generalizability, and Stability Over Time.

The present empirical investigation had a 3-fold purpose: (a) to cross-validate L. R. Offermann, J. K. Kennedy, and P. W. Wirtz's (1994) scale of Implicit Leadership Theories (ILTs) in several organizational settings and to further provide a shorter scale of ILTs in organizations; (b) to assess the generalizability of ILTs across different employee groups, and (c) to evaluate ILTs' change over time. Two independent samples were used for the scale validation (N1 = 500 and N2 = 439). A 6-factor structure (Sensitivity, Intelligence, Dedication, Dynamism, Tyranny, and Masculinity) was found to most accurately represent ELTs in organizational settings. Regarding the generalizability of ILTs, although the 6-factor structure was consistent across different employee groups, there was only partial support for total factorial invariance. Finally, evaluation of gamma, beta, and alpha change provided support for ILTs' stability over time. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Reaction of cytochrome P450 with cumene hydroperoxide: ESR spin-trapping evidence for the homolytic scission of the peroxide O-O bond by ferric cytochrome P450 1A2

ESR spin trapping was used to investigate the reaction of rabbit cytochrome P450 (P450) 1A2 with cumene hydroperoxide. Cumene hydroperoxide-derived peroxyl, alkoxyl, and carbon-centered radicals were formed and trapped during the reaction. The relative contributions of each radical adduct to the composite ESR spectrum were influenced by the concentration of the spin trap. Computer simulation of the experimental data obtained at various 5,5-dimethyl-1-pyrroline N-oxide (DMPO) concentrations was used to quantitate the contributions of each radical adduct to the composite ESR spectrum. The alkoxyl radical was the initial radical produced during the reaction. Experiments with 2-methyl-2-nitrosopropane identified the carbon-centered adducts as those of the methyl radical, hydroxymethyl radical, and a secondary carbon-centered radical. The reaction did not require NADPH-cytochrome P450 reductase or NADPH. It is concluded that the reaction involves the initial homolytic scission of the peroxide O-O bond to produce the cumoxyl radical. Methyl radicals were produced from the beta-scission of the cumoxyl radical. The peroxyl adduct was not observed in the absence of molecular oxygen. We conclude that the DMPO peroxyl radical adduct detected in the presence of oxygen was due to the methylperoxyl radical formed by the reaction of the methyl radical with oxygen. At a higher P450 concentration, a protein-derived radical adduct was also detected.     

Fitting Square Pegs into Round Holes

By nature, cryptographers tend to be extremely cautious and conservative. From their perspective, spending time getting people to use a new cryptographic algorithm is roughly on par with getting involved in a land war in Asia. In some cases, however, the difficulty involved in developing a new algorithm is worth the effort. This is the case with identity-based encryption (IBE), a new type of public-key algorithm     

Growth Stresses in the Oxide Scales on TiAl Alloys at 800 and 900°C

In the oxidation of TiAl alloys, the role of scale-growth stresses formed during oxidation has, thus far, been unknown. In the present paper the oxide-growth stresses were investigated by the deflection-test method in monofacial oxidation (DTMO) accompanied by acoustic-emission measurements. On unmodified surfaces the growth stresses are compressive and reach levels of around –100 MPa. At the same time, significant acoustic emission occurs indicating that even under isothermal conditions, stresses are relieved by a scale-cracking mechanism. For oxide scales on TiAl surfaces, which had been ion implanted with chlorine before oxidation, a very thin protective alumina layer is formed which, however, develops growth stresses in the range of several GPa, accompanied by intensive acoustic emission. In all stress–time curves, a dynamic situation is observed. This consists of phases of stress relief by scale microcracking and phases of stresses increase due to crack healing and further oxide growth. As a result, the level of stress as a function of oxidation time, is characterized by an oscillating course.     

On the Automatic Recovery of Style-Specific Architectural Relations in Software Systems

The cost of maintaining a software system over a long period of time far exceeds its initial development cost. Much of the maintenance cost is attributed to the time required by new developers to understand legacy systems. High-level structural information helps maintainers navigate through the numerous low-level components and relations present in the source code. Modularization tools can be used to produce subsystem decompositions from the source code but do not typically produce high-level architectural relations between the newly found subsystems. Controlling subsystem interactions is one important way in which the overall complexity of software maintenance can be reduced.We have developed a tool, called ARIS (Architecture Relation Inference System), that enables software engineers to define rules and relations for regulating subsystem interactions. These rules and relations are called Interconnection Styles and are definedusing a visual notation. The style definition is used by our tool to infer subsystem-level relations in designs being reverse engineered from source code.In this paper we describe our tool and its underlying techniques and algorithms. Using a case study, we describe how ARIS is used to reverse engineer high-level structural information from a real application.