2,892 research outputs found
On high-speed turning of a third-generation gamma titanium aluminide
Gamma titanium aluminides are heat-resistant intermetallic alloys predestined to be employed in components suffering from high mechanical stresses and thermal loads. These materials are regarded as difficult to cut, so this makes process adaptation essential in order to obtain high-quality and defect-free surfaces suitable for aerospace and automotive parts. In this paper, an innovative approach for longitudinal external high-speed turning of a third-generation Ti-45Al-8Nb- 0.2C-0.2B gamma titanium aluminide is presented. The experimental campaign has been executed with different process parameters, tool geometries and lubrication conditions. The results are discussed in terms of surface roughness/integrity, chip morphology, cutting forces and tool wear. Experimental evidence showed that, due to the high cutting speed, the high temperatures reached in the shear zone improve chip formation, so a crack-free surface can be obtained. Furthermore, the use of a cryogenic lubrication system has been identified in order to reduce the huge tool wear, which represents the main drawback when machining gamma titanium aluminides under the chosen process condition
Analysis of OPM potentials for multiplet states of 3d transition metal atoms
We apply the optimized effective potential method (OPM) to the multiplet
energies of the 3d transition metal atoms, where the orbital dependence of
the energy functional with respect to orbital wave function is the
single-configuration HF form. We find that the calculated OPM exchange
potential can be represented by the following two forms. Firstly, the
difference between OPM exchange potentials of the multiplet states can be
approximated by the linear combination of the potentials derived from the
Slater integrals and for the average
energy of the configuration. Secondly, the OPM exchange potential can be
expressed as the linear combination of the OPM exchange potentials of the
single determinants.Comment: 15 pages, 6 figures, to be published in J. Phys.
First-principles calculations of the self-trapped exciton in crystalline NaCl
The atomic and electronic structure of the lowest triplet state of the
off-center (C2v symmetry) self-trapped exciton (STE) in crystalline NaCl is
calculated using the local-spin-density (LSDA) approximation. In addition, the
Franck-Condon broadening of the luminescence peak and the a1g -> b3u absorption
peak are calculated and compared to experiment. LSDA accurately predicts
transition energies if the initial and final states are both localized or
delocalized, but 1 eV discrepancies with experiment occur if one state is
localized and the other is delocalized.Comment: 4 pages with 4 embeddded figure
Atomic-scale representation and statistical learning of tensorial properties
This chapter discusses the importance of incorporating three-dimensional
symmetries in the context of statistical learning models geared towards the
interpolation of the tensorial properties of atomic-scale structures. We focus
on Gaussian process regression, and in particular on the construction of
structural representations, and the associated kernel functions, that are
endowed with the geometric covariance properties compatible with those of the
learning targets. We summarize the general formulation of such a
symmetry-adapted Gaussian process regression model, and how it can be
implemented based on a scheme that generalizes the popular smooth overlap of
atomic positions representation. We give examples of the performance of this
framework when learning the polarizability and the ground-state electron
density of a molecule
Isoflavones in Legumes as Functional Forages and Feeds in Ruminant Grazing Systems
Legumes are often utilized in livestock grazing systems to improve diet quality, diversity, and consequently animal performance. In addition to their nutritional utility, legumes contain phytoestrogenic isoflavones that have selective antimicrobial activity in the rumen and once absorbed can cause arterial vasodilation. These added bioactive functions of isoflavones suggest that legumes could be strategically utilized in grazing systems as functional forages to improve ruminant performance and health. The objective of this presentation will be to discuss past and current research on the application of isoflavones via legumes as an antimicrobial for growth promotion and as a mitigation strategy for fescue toxicosis in grazing ruminants
Magnetic and electronic structures of superconducting RuSrGdCuO
The coexistence of ferromagnetism and superconductivity in
RuSrGdCuO was reported both from experiments (by Tallon et. al.)
and first-principles calculations (by Pickett et. al.). Here we report that our
first-principles full-potential linearized augmented plane wave (FLAPW)
calculations, employing the precise crystal structure with structural
distortions (i.e., RuO rotations) determined by neutron diffraction,
demonstrate that antiferromagnetic ordering of the Ru moments is energetically
favored over the previously proposed ferromagnetic ordering. Our results are
consistent with recently performed magnetic neutron diffraction experiments
(Lynn et. al). Ru states, which are responsible for the magnetism,
have only a very small interaction with Cu states, which results in a
small exchange splitting of these states. The Fermi surface, characterized by
strongly hybridized orbitals, has nesting features similar to those
in the two-dimensional high cuprate superconductors.Comment: 6 pages,6 figures, accepted for publication in Phys. Rev.
Identification of dfrA14 in two distinct plasmids conferring trimethoprim resistance in Actinobacillus pleuropneumoniae
OBJECTIVES: The objective of this study was to determine the distribution and genetic basis of trimethoprim resistance in Actinobacillus pleuropneumoniae isolates from pigs in England. METHODS: Clinical isolates collected between 1998 and 2011 were tested for resistance to trimethoprim and sulphonamide. The genetic basis of trimethoprim resistance was determined by shotgun WGS analysis and the subsequent isolation and sequencing of plasmids. RESULTS: A total of 16 (out of 106) A. pleuropneumoniae isolates were resistant to both trimethoprim (MIC >32 mg/L) and sulfisoxazole (MIC â„256 mg/L), and a further 32 were resistant only to sulfisoxazole (MIC â„256 mg/L). Genome sequence data for the trimethoprim-resistant isolates revealed the presence of the dfrA14 dihydrofolate reductase gene. The distribution of plasmid sequences in multiple contigs suggested the presence of two distinct dfrA14-containing plasmids in different isolates, which was confirmed by plasmid isolation and sequencing. Both plasmids encoded mobilization genes, the sulphonamide resistance gene sul2, as well as dfrA14 inserted into strA, a streptomycin-resistance-associated gene, although the gene order differed between the two plasmids. One of the plasmids further encoded the strB streptomycin-resistance-associated gene. CONCLUSIONS: This is the first description of mobilizable plasmids conferring trimethoprim resistance in A. pleuropneumoniae and, to our knowledge, the first report of dfrA14 in any member of the Pasteurellaceae. The identification of dfrA14 conferring trimethoprim resistance in A. pleuropneumoniae isolates will facilitate PCR screens for resistance to this important antimicrobial
Point defects, ferromagnetism and transport in calcium hexaboride
The formation energy and local magnetic moment of a series of point defects
in CaB are computed using a supercell approach within the generalized
gradient approximation to density functional theory. Based on these results,
speculations are made as to the influence of these defects on electrical
transport. It is found that the substitution of Ca by La does not lead to the
formation of a local moment, while a neutral B vacancy carries a moment of
2.4 Bohr magnetons, mostly distributed over the six nearest-neighbour B atoms.
A plausible mechanism for the ferromagnetic ordering of these moments is
suggested. Since the same broken B-B bonds appear on the preferred (100)
cleavage planes of the CaB structure, it is argued that internal surfaces
in polycrystals as well as external surfaces in general will make a large
contribution to the observed magnetization.Comment: Calculated defect formation energies had to be corrected, due to the
use of a wrong reference energy for the perfect crystal in the original pape
Surface relaxation and ferromagnetism of Rh(001)
The significant discrepancy between first-principles calculations and
experimental analyses for the relaxation of the (001) surface of rhodium has
been a puzzle for some years. In this paper we present density functional
theory calculations using the local-density approximation and the generalized
gradient approximation of the exchange-correlation functional. We investigate
the thermal expansion of the surface and the possibility of surface magnetism.
The results throw light on several, hitherto overlooked, aspects of metal
surfaces. We find, that, when the free energy is considered, density-functional
theory provides results in good agreement with experiments.Comment: 6 pages, 4 figures, submitted to Phys. Rev. Lett. (April 28, 1996
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