NIFTy 3 – Numerical Information Field Theory: A Python Framework for Multicomponent Signal Inference on HPC Clusters

NIFTy , “Numerical Information Field Theory,” is a software framework designed to ease the development and implementation of field inference algorithms. Field equations are formulated independently of the underlying spatial geometry allowing the user to focus on the algorithmic design. Under the hood, NIFTy ensures that the discretization of the implemented equations is consistent. This enables the user to prototype an algorithm rapidly in 1D and then apply it to high‐dimensional real‐world problems. This paper introduces NIFTy  3, a major upgrade to the original NIFTy  framework. NIFTy  3 allows the user to run inference algorithms on massively parallel high performance computing clusters without changing the implementation of the field equations. It supports n‐dimensional Cartesian spaces, spherical spaces, power spaces, and product spaces as well as transforms to their harmonic counterparts. Furthermore, NIFTy  3 is able to handle non‐scalar fields, such as vector or tensor fields. The functionality and performance of the software package is demonstrated with example code, which implements a mock inference inspired by a real‐world algorithm from the realm of information field theory. NIFTy  3 is open‐source software available under the GNU General Public License v3 (GPL‐3) at https://gitlab.mpcdf.mpg.de/ift/NIFTy/tree/NIFTy_3 .     

Electronic Olfactory Sensor Based on A. mellifera Odorant‐Binding Protein 14 on a Reduced Graphene Oxide Field‐Effect Transistor

An olfactory biosensor based on a reduced graphene oxide (rGO) field‐effect transistor (FET), functionalized by the odorant‐binding protein 14 (OBP14) from the honey bee (Apis mellifera) has been designed for the in situ and real‐time monitoring of a broad spectrum of odorants in aqueous solutions known to be attractants for bees. The electrical measurements of the binding of all tested odorants are shown to follow the Langmuir model for ligand–receptor interactions. The results demonstrate that OBP14 is able to bind odorants even after immobilization on rGO and can discriminate between ligands binding within a range of dissociation constants from K_d=4 μM to K_d=3.3 mM . The strongest ligands, such as homovanillic acid, eugenol, and methyl vanillate all contain a hydroxy group which is apparently important for the strong interaction with the protein.     

Asynchronous sampling for ultrafast experiments with low momentum compaction at the ANKA ring

A high‐repetition‐rate pump–probe experiment is presented, based on the asynchronous sampling approach. The low‐α mode at the synchrotron ANKA can be used for a time resolution down to the picosecond limit for the time‐domain sampling of the coherent THz emission as well as for hard X‐ray pump–probe experiments, which probe structural dynamics in the condensed phase. It is shown that a synchronization of better than 1 ps is achieved, and examples of phonon dynamics of semiconductors are presented.     

Hochaufl?sende Auger-Elektronenspektroskopie zur Untersuchung von Hartstoffbeschichtungen

Zusammenfassung Berichtet wird über hochauflösende Auger-Elektronenspektroskopie an TiN-Schichten als einem ausgewählten Beispiel für Hartstoffbeschichtungen. Die Schichten werden durch reaktives Magnetronsputtern in einer Ar-N₂-Atmosphäre auf Stahlsubstraten abgeschieden. Die maximale Härte der Schichten liegt bei 3500HV_0.1. Schichten, deren Bruchflächen im Elektronenmikroskop einen homogenen Aufbau zeigen, liefern eine auf einem KugelScheibe-Tribometer gemessene Verschleißminderung um einen Faktor 35–70. TiN-Substrat-Interfaces wurden eingehend mit hochauflösender Auger-Elektronenspektroskopie untersucht. Bei sorgfältiger Einstellung der Auger-Mikrosonde und geeigneter Versuchsführung werden Interfacebreiten von weniger als 50 nm gemessen. Übereinstimmung besteht zwischen den Messungen an Schrägschliffen und Sputtertiefenprofilanalysen. Die gemessenen Interfacebreiten unterscheiden sich deutlich von Literaturwerten, die typisch zwischen 200 nm und 300 nm liegen. Ursachen für die vorliegende Diskrepanz werden diskutiert. Am Beispiel einer TiN-Cr-Edelstahl-Sandwichschicht wird die Möglichkeit dargestellt, mit hochauflösender Auger-Elektronenspektroskopie den Verlauf von Korngrenzen in der TiN-Beschichtung zu analysieren.

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High-resolution auger electron spectroscopy for the investigation of hard coatings

Summary High-resolution Auger electron spectroscopy is applied to TiN-layers as an example for hard coatings. The coatings are produced by reactive magnetron sputtering on steel substrates in an Ar-N₂ atmosphere. Maximum hardness of the layers is 3,500 HV_0.1. Layers of homogeneous structure give a reduction of abrasion by a factor of 35–70. TiN substrate interfaces have been submitted to a detailed examination by high-resolution Auger electron spectroscopy. Interfaces of less than 50 nm could be measured with careful adaption of the microprobe and with appropriate experimental conditions. The values for the measured interfaces are distinctly different from literature data, which are typically between 200 nm and 300 nm. The reasons for this discrepancy are discussed. The possibility of analyzing grain boundaries in TiN coatings by means of high-resolution Auger-electron spectroscopy is demonstrated by the example of a TiN-Cr stainless steel sandwich layer.

     

Synthese und Hydrolyse von 1,3-Dihydro-1,3,2-benzodiazaphosphol-2-oxiden

Zusammenfassung Verschiedene 1,3-Dihydro-1,3,2-benzodiazaphosphol-2-oxide und entsprechende Bisverbindungen wurden hergestellt. Einige der Verbindungen konnten nur ohne Lösungsmittel bei Temperaturen bis zu 250°C in guter Ausbeute und in großer Reinheit erhalten werden.Bei der Hydrolyse werden meist beide P–N-Bindungen gespalten, und es entsteht das Monosalz der Phosphonsäure mit dem Diamin; dieses Salz ist identisch mit dem aus den beiden Komponenten direkt erhaltenen.

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Various 1.3-dihydro-1.3.2-benzodiazaphosphole-2-oxides and the corresponding bis phosphole oxides have been prepared. Some of the compounds allowed to be prepared in satisfactory yield and high purity only in the absence of solvents at temperatures up to 250°C.Hydrolysis usually entailed cleavage of the two P–N-bonds, and interaction with the diamine yields the monosalt of phosphonic acid; this salt is identical with that obtained by direct interaction of the two reactants.

     

Measurement and prediction of speech and noise levels and the Lombard effect in eating establishments

Measurements made of the acoustical characteristics of, and occupied noise levels in, ten eating establishments are described. Levels to which diners and employees were exposed varied from 45 to 82 dB(A). From these levels and diner questionnaire responses, the number of customers present and average noise levels to which individual diners were exposed during their visits were estimated. These data, assumptions about the number of talkers per customer, and classical room-acoustical theory were used to deduce talker voice output levels. These varied from slightly above "casual" to "loud." An iterative model for predicting speech and noise levels in eating establishments, including the Lombard effect as described by a new, proposed model, was developed. With the measured noise levels as the target for prediction, optimization techniques were used to find best estimates of unknown prediction parameters--such as those defining the Lombard effect, the number of talkers per customer, and the average absorption per customer--with highly credible results. The prediction algorithm and optimal parameters constitute a novel model for predicting speech and noise levels--and thus speech intelligibility--in eating establishments, as a function of the number of customers, including a proven, realistic model of the Lombard effect.     

Organische Verbindungen des Phosphors, 2. Mitt.: Über die stufenweise Alkylierung primärer Phosphine

Zusammenfassung Es wird über den Austausch der Wasserstoffatome am Phosphor in primären Phosphinen durch Natrium berichtet. Die unterschiedliche Reaktionsgeschwindigkeit, mit der dieser Austausch für die beiden Wasserstoffatome verläuft, eröffnet die Möglichkeit einer stufenweisen Reaktionsführung, bei der in einer ersten Austauschreaktion vorwiegend nur ein Wasserstoff durch Metall ersetzt wird. Bei der präparativen Durchführung bietet die Verwendung von Na-Dispersionen die größten Vorteile, da damit die gewünschte Austauschstufe, an der Farbe des Reaktionsgemisches kenntlich, in sehr gut kontrollierbarer Weise erreichbar ist. Durch die Umsetzung derart hergestellter P–Na-Bindungen mit Alkyl- und Arylhalogeniden ist die Synthese sekundärer und tertiärer Phosphine mit ungleichen Liganden möglich geworden, die bisher überhaupt nicht oder nur unter größten Schwierigkeiten dargestellt werden konnten.1. Mitt.: Mh. Chem.90, 148 (1959).     

Radium isotopes and <Superscript>222</Superscript>Rn in Austrian drinking waters

The activity concentrations of the Ra isotopes, ²²⁶Ra and ²²⁸Ra, as well as of ²²²Rn were measured in Austrian tap waters. Rn was extracted into a mineral oil cocktail not miscible with water and measured by liquid scintillation counting using pulse-shape analysis for α/β-separation. Ra isotopes were co-precipitated with BaSO₄ or concentrated by filtration through an element specific filter. EDTA solution was used to redissolve the precipitate as well as to release the Ra from the filter. After mixing with a cocktail, the EDTA solution was measured by liquid scintillation counting, too. From our results the effective ingestion doses for adults and 3 months old babies were calculated.