Improvement of Surface Accuracy and Shop Floor Feed Rate Smoothing Through Open CNC Monitoring System and Cutting Simulation

AbstractIn the milling process of complex workpiece shapes the feed rate normally becomes instable due to the high degree of surface curvature that requires high acceleration and deceleration of the interpolated axes. This condition impacts on process time and on the surface accuracy regarding the manufactured part form and texture. The challenge to simulate the real machine and control behavior requires accurate models with a set of experiments to tune and dimension the model to the respective machine tool. The aim is to improve the HSC milling process of complex surfaces before removing any material. In this paper experiments show that the surface form accuracy and texture can be optimized through an automatic feed rate smoothing of the finishing operation directly on the machine tool. The axis positions and spindle speeds monitored through the open CNC are used as input for a geometric cutting simulation, thus enabling to predict and optimize the surface quality

Impact of glucosinolate structure on the performance of the crucifer pest Phaedon cochleariae (F.)

Glucosinolates (GS) are sulfur-rich secondary metabolites found in the Brassicaceae and other related families of the order Brassicales. GS consist of structurally-related compounds with different side chains. To explore the possibility that various side chain confer divergent biological activities to individual GS, we have investigated the performance of the specialist pest beetle, Phaedon cochleariae (F.) on Arabidopsis thaliana L. mutants and Columbia wild-type (WT) which differ in the main group of GS. Plant lines of A. thaliana altered for the expression of MAM3, because of the introduction of an overexpression construct of MAM3 (mam3+) or containing double knockouts of CYP79B2 and CYP79B3 (cyp79B2-/cyp79B3-) were used for the study in comparison to the WT.A. thaliana genotypes differed in their GS profiles. The highest GS content was present in the WT followed by mam3+ and cyp79B2-/ cyp79B3-. A modified aliphatic GS content was detected for the mam3+ as compared to the WT lines. Furthermore, indolyl GS were completely absent in cyp79B2-/cyp79B3-. The percentage weight increase of larvae raised on each of the three plant genotypes was significant different. Larval performance was poorest on plants of cyp79B2-/cyp79B3- and best on WT, but there was no significant difference found in percentage weight increase on mam3+ and WT. There was no correlation between the weight increase of the larvae on genotypes and induced levels of aliphatic, indolyl, and total GS. However, the poor performance of beetle larvae on cyp79B2-/ cyp79B3-compared to WT and mam3+ might be explained by comparable high aliphatic GS levels of this mutant, a different induction of secondary metabolites, and the absence of indolyl GS. Basic knowledge about the relationship of GS structures and their insect pests may help in further resistance breeding of crucifer crops

Topological change of the Fermi surface in ternary iron-pnictides with reduced c/a ratio: A dHvA study of CaFe2P2

We report a de Haas-van Alphen effect study of the Fermi surface of CaFe2P2 using low temperature torque magnetometry up to 45 T. This system is a close structural analogue of the collapsed tetragonal non-magnetic phase of CaFe2As2. We find the Fermi surface of CaFe2P2 to differ from other related ternary phosphides in that its topology is highly dispersive in the c-axis, being three-dimensional in character and with identical mass enhancement on both electron and hole pockets (~1.5). The dramatic change in topology of the Fermi surface suggests that in a state with reduced (c/a) ratio, when bonding between pnictogen layers becomes important, the Fermi surface sheets are unlikely to be nested

Delivering strong 1H nuclear hyperpolarization levels and long magnetic lifetimes through signal amplification by reversible exchange

Hyperpolarization turns typically weak NMR and MRI responses into strong signals so that ordinarily impractical measurements become possible. The potential to revolutionize analytical NMR and clinical diagnosis through this approach reflect this area's most compelling outcomes. Methods to optimize the low cost parahydrogen based approach signal amplification by reversible exchange (SABRE) with studies on a series of biologically relevant nicotinamides and methyl nicotinates are detailed. These procedures involve specific 2H-labelling in both the agent and catalyst and achieve polarization lifetimes of ca. 2 minutes with 50% polarization in the case of 4,6-d2-methylnicotinate. As a 1.5 T hospital scanner has an effective 1H polarization level of just 0.0005% this strategy should result in compressed detection times for chemically discerning measurements that probe disease. To demonstrate this techniques generality, we exemplify further studies on a range of pyridazine, pyrimidine, pyrazine and isonicotinamide analogues that feature as building blocks in biochemistry and many disease treating drugs

The Role of Pressure in Inverse Design for Assembly

Isotropic pairwise interactions that promote the self assembly of complex particle morphologies have been discovered by inverse design strategies derived from the molecular coarse-graining literature. While such approaches provide an avenue to reproduce structural correlations, thermodynamic quantities such as the pressure have typically not been considered in self-assembly applications. In this work, we demonstrate that relative entropy optimization can be used to discover potentials that self-assemble into targeted cluster morphologies with a prescribed pressure when the iterative simulations are performed in the isothermal-isobaric ensemble. By tuning the pressure in the optimization, we generate a family of simple pair potentials that all self-assemble the same structure. Selecting an appropriate simulation ensemble to control the thermodynamic properties of interest is a general design strategy that could also be used to discover interaction potentials that self-assemble structures having, for example, a specified chemical potential.Comment: 29 pages, 8 figure

Microscopic Origin of the Hofmeister Effect in Gelation Kinetics of Colloidal Silica.

The gelation kinetics of silica nanoparticles is a central process in physical chemistry, yet it is not fully understood. Gelation times are measured to increase by over 4 orders of magnitude, simply changing the monovalent salt species from CsCl to LiCl. This striking effect has no microscopic explanation within current paradigms. The trend is consistent with the Hofmeister series, pointing to short-ranged solvation effects not included in the standard colloidal (DLVO) interaction potential. By implementing a simple form for short-range repulsion within a model that relates the gelation timescale to the colloidal interaction forces, we are able to explain the many orders of magnitude difference in the gelation times at fixed salt concentration. The model allows us to estimate the magnitude of the non-DLVO hydration forces, which dominate the interparticle interactions on the length scale of the hydrated ion diameter. This opens the possibility of finely tuning the gelation time scale of nanoparticles by just adjusting the background electrolyte species.We acknowledge financial support from: Unilever Plc (E.S.); the Ernest Oppenheimer Fellowship at Cambridge (to 1st June 2014), and by the Technische Universität München Institute for Advanced Study, funded by the German Excellence Initiative and the European Union Seventh Framework Programme under grant agreement 291763 (A.Z.); the Winton Programme for the Physics of Sustainability (B.O.C.).This is the accepted manuscript. The final version is available at http://pubs.acs.org/doi/abs/10.1021/acs.jpclett.5b01300

Fermi surface of SrFe2_2P2_2 determined by de Haas-van Alphen effect

We report measurements of the Fermi surface (FS) of the ternary phosphide SrFe$_2$P$_2$ using the de Haas-van Alphen effect. The calculated FS of this compound is very similar to SrFe$_2$As$_2$, the parent compound of the high temperature superconductors. Our data show that the Fermi surface is composed of two electron and two hole sheets in agreement with bandstructure calculations. Several of the sheets show strong c-axis warping emphasizing the importance of three-dimensionality in the non-magnetic state of the ternary pnictides. We find that the electron and hole pockets have a different topology, implying that this material does not satisfy a nesting condition.Comment: 5 pages, 4 Figures, 1 Tabl

CXCR4 chemokine receptor antagonists: nickel(II) complexes of configurationally restricted macrocycles

Tetraazamacrocyclic complexes of transition metals provide useful units for incorporating multiple coordination interactions into a single protein binding molecule. They can be designed with available sites for protein interactions via donor atom-containing amino acid side chains or labile ligands, such as H 2 O, allowing facile exchange. Three configurationally restricted nickel(ii) cyclam complexes with either one or two macrocyclic rings were synthesised and their ability to abrogate the CXCR4 chemokine receptor signalling process was assessed (IC 50 = 8320, 194 and 14 nM). Analogues were characterised crystallographically to determine the geometric parameters of the acetate binding as a model for aspartate. The most active nickel(ii) compound was tested in several anti-HIV assays against representative viral strains showing highly potent EC 50 values down to 13 nM against CXCR4 using viruses, with no observed cytotoxicity (CC 50 > 125 μM). © 2013 The Royal Society of Chemistry