Additive Manufacturing of Co-Ni-Ga High-Temperature Shape Memory Alloy: Processability and Phase Transformation Behavior

Metallurgical and Materials Transactions A - Co-Ni-Ga high-temperature shape memory alloy is additively processed by selective laser melting for the first time. Reversible martensitic...     

Early hydration of tricalcium silicate I. Kinetics of the hydration process and the stoichiometry of the hydration products

The initial hydration of C₃S in paste form at room temperature was studied. The process is initiated by a short lasting rapid hydration in which about 1 – 2% of C₃S is hydrated and a hydrate with low C/S and high H/S ratio is formed. After a subsequent induction period of 4 hours a renewed rapid hydration is observed in which a hydrate of constant stoichiometric composition, independent on the time of hydration is formed. This hydrate has a higher C/S and lower H/S ratio than the one formed initially. The liquid phase stays supersaturated with respect to calcium hydroxide for several hours after the induction period is terminated.     

Automated clustering of ensembles of alternative models in protein structure databases

Experimentally determined protein structures have been classified in different public databases according to their structural and evolutionary relationships. Frequently, alternative structural models, determined using X-ray crystallography or NMR spectroscopy, are available for a protein. These models can present significant structural dissimilarity. Currently there is no classification available for these alternative structures. In order to classify them, we developed STRuster, an automated method for clustering ensembles of structural models according to their backbone structure. The method is based on the calculation of carbon alpha (Calpha) distance matrices. Two filters are applied in the calculation of the dissimilarity measure in order to identify both large and small (but significant) backbone conformational changes. The resulting dissimilarity value is used for hierarchical clustering and partitioning around medoids (PAM). Hierarchical clustering reflects the hierarchy of similarities between all pairs of models, while PAM groups the models into the 'optimal' number of clusters. The method has been applied to cluster the structures in each SCOP species level and can be easily applied to any other sets of conformers. The results are available at: http://bioinf.mpi-sb.mpg.de/projects/struster/.     

Pore structure of bulk tungsten carbide powder catalysts

Bulk tungsten carbide catalysts are prepared by direct carburization/reduction of tungsten trioxide in methane-hydrogen mixtures. The catalytic properties of such catalysts have been studied by several authors. The porous structure of these catalysts is studied by adsorption of N₂, Kr, CF₄ and neohexane. Adsorption isotherms and hysteresis loops for the catalysts suggest the presence of a microporous structure made of parallel plates distant approximately by 20 Å. These results are compared to those obtained using such catalysts for hydrogen oxidation and where condensation in the porous structure was observed.     

Fragment-based synthesis and SAR of modified FKBP ligands: influence of different linking on binding affinity

The viability of the fragment-based approach for lead discovery depends on reliable fragment-screening methods combined with straightforward fragment-linking- or fragment-growing-chemistry. In the present study we sought a flexible synthetic approach that would allow efficient synthesis of a variety of linkers that can subsequently be tested for biological activity. We applied this approach to fragments known to bind to FKBP12 (FK506 binding protein), a peptidyl-prolyl isomerase involved in immunosuppression and neural functioning. In our set of linked FKBP ligands, ester and thioester linkages resulted in high-affinity ligands, whereas an amide linkage decreased affinity remarkably; oxime and triazole linkages were not tolerated by the target protein's binding pocket, rendering these ligands ineffective. By investigating corresponding derivatized non-linked fragments and docking studies of linked fragments, we were able to evaluate the effect of the linker region on ligand binding affinity.     

Study of rotational mobility of stable nitroxide radicals in solid polymers

The rotational mobility of stable nitroxide radicals in PS, PMMA, PVC, PP and PE has been studied over a wide temperature range by the e.s.r. method. At temperatures T lower than T_g, spin probes act as kinetically independent particles, the rotational frequency of which is deter mined mainly by the micropore dimensions of the polymer and depends indirectly on the mobility of segments or side groups.     

Nature-Inspired Meta-Heuristics on Modern GPUs: State of the Art and Brief Survey of Selected Algorithms

Graphic processing units (GPUs) emerged recently as an exciting new hardware environment for a truly parallel implementation and execution of Nature and Bio-inspired Algorithms with excellent price-to-power ratio. In contrast to common multicore CPUs that contain up to tens of independent cores, the GPUs represent a massively parallel single-instruction multiple-data devices that can nowadays reach peak performance of hundreds and thousands of giga floating-point operations per second. Nature and Bio-inspired Algorithms implement parallel optimization strategies in which a single candidate solution, a group of candidate solutions (population), or multiple populations seek for optimal solution or set of solutions of given problem. Genetic algorithms (GA) constitute a family of traditional and very well-known nature-inspired populational meta-heuristic algorithms that have proved its usefulness on a plethora of tasks through the years. Differential evolution (DE) is another efficient populational meta-heuristic algorithm for real-parameter optimization. Particle swarm optimization (PSO) can be seen as nature-inspired multiagent method in which the interaction of simple independent agents yields intelligent collective behavior. Simulated annealing (SA) is global optimization algorithm which combines statistical mechanics and combinatorial optimization with inspiration in metallurgy. This survey provides a brief overview of the latest state-of-the-art research on the design, implementation, and applications of parallel GA, DE, PSO, and SA-based methods on the GPUs.     

Beitrag zur Berechnung der Enderwärmung elektrischer Schaltgeräte

Zusammenfassung Für die Berechnung der Endtemperatur elektrischer Schaltgeräte wurden Schemas mit den dazugehörigen Gleichungen entwickelt. Für jeden Knotenpunkt einer aus mehreren Elementen zusammengesetzten Leitung konnte eine Gleichung aufgestellt werden, so daß das ganze Problem auf die Lösung linearer Gleichungen hinauslief. Die hierdurch gefundenen Werte für die Endpunkte der Elemente dienten dann zur Berechnung des gesamten Temperaturverlaufes nach den Gl. (1) bzw. (5) oder (6).     

Effectiveness factors for non-uniform catalytic activity of a spherical pellet

The effectiveness factor for catalysts with non-uniform activity of different intrinsic activity profiles was derived as functions of a modified Weisz modulus and a modified Thiele modulus. The modified moduluses were chosen so as to take into consideration the different diffusion lengths in catalysts with non-uniform activity.