1,098 research outputs found
Number-phase entropic uncertainty relations and Wigner functions for solvable quantum systems with discrete spectra
In this letter, the number-phase entropic uncertainty relation and the
number-phase Wigner function of generalized coherent states associated to a few
solvable quantum systems with nondegenerate spectra are studied. We also
investigate time evolution of number-phase entropic uncertainty and Wigner
function of the considered physical systems with the help of temporally stable
Gazeau-Klauder coherent states.Comment: 10 pages, 9 figures; To appear in Phys Lett A 200
DFT plus U study of the structures and properties of the actinide dioxides
The actinide oxides play a vital role in the nuclear fuel cycle. For systems where current experimental measurements are difficult, computational techniques provide a means of predicting their behaviour. However, to date no systematic methodology exists in the literature to calculate the properties of the series, due to the lack of experimental data and the computational complexity of the systems. Here, we present a systematic study where, within the DFT+U formulism, we have parametrized the most suitable Coulombic (U) and exchange (J) parameters for different functionals (LDA, PBE, PBE-Sol and AM05) to reproduce the experimental band-gap and lattice parameters for ThO2, UO2, NpO2, PuO2, AmO2 and CmO2. After successfully identifying the most suitable parameters for these actinide dioxides, we have used our model to describe the electronic structures of the different systems and determine the band structures, optical band-gaps and the Bulk moduli. In general, PBE-Sol provides the most accurate reproduction of the experimental properties, where available.
We have employed diamagnetic order for ThO2, PuO2 and CmO2, transverse 3k antiferromagnetic order for UO2 and AmO2, and longitudinal 3k antiferromagnetic order for NpO2. The Fm
m cubic symmetry is preserved for diamagnetic ThO2, PuO2 and CmO2 and longitudinal 3k NpO2. For UO2 and AmO2, the transverse 3k antiferromagnetic state results in Pa symmetry, in agreement with recent experimental findings. Although the electronic structure of ThO2 cannot be reproduced by DFT or DFT+U, for UO2, PuO2, NpO2, AmO2 and CmO2, the experimental properties are very well represented when U = 3.35 eV, 6.35 eV, 5.00 eV, 7.00 eV and 6.00 eV, respectively, with J = 0.00 eV, 0.00 eV, 0.75 eV, 0.50 eV and 0.00 eV, respectively
DFT+U study of the structures and properties of the actinide dioxides
The actinide oxides play a vital role in the nuclear fuel cycle. For systems where current experimental measurements are difficult, computational techniques provide a means of predicting their behaviour. However, to date no systematic methodology exists in the literature to calculate the properties of the series, due to the lack of experimental data and the computational complexity of the systems. Here, we present a systematic study where, within the DFT+U formulism, we have parametrized the most suitable Coulombic (U) and exchange (J) parameters for different functionals (LDA, PBE, PBE-Sol and AM05) to reproduce the experimental band-gap and lattice parameters for ThO2, UO2, NpO2, PuO2, AmO2 and CmO2. After successfully identifying the most suitable parameters for these actinide dioxides, we have used our model to describe the electronic structures of the different systems and determine the band structures, optical band-gaps and the Bulk moduli. In general, PBE-Sol provides the most accurate reproduction of the experimental properties, where available.
We have employed diamagnetic order for ThO2, PuO2 and CmO2, transverse 3k antiferromagnetic order for UO2 and AmO2, and longitudinal 3k antiferromagnetic order for NpO2. The Fm m cubic symmetry is preserved for diamagnetic ThO2, PuO2 and CmO2 and longitudinal 3k NpO2. For UO2 and AmO2, the transverse 3k antiferromagnetic state results in Pa symmetry, in agreement with recent experimental findings. Although the electronic structure of ThO2 cannot be reproduced by DFT or DFT+U, for UO2, PuO2, NpO2, AmO2 and CmO2, the experimental properties are very well represented when U = 3.35 eV, 6.35 eV, 5.00 eV, 7.00 eV and 6.00 eV, respectively, with J = 0.00 eV, 0.00 eV, 0.75 eV, 0.50 eV and 0.00 eV, respectively
Interaction of hydrogen with actinide dioxide (111) surfaces
The interaction of atomic and molecular hydrogen with actinide dioxide (AnO2, An = U, Np, Pu) (111) surfaces has been investigated by DFT+U, where noncollinear 3k antiferromagnetic behaviour and spin-orbit interactions are considered. The adsorption of atomic hydrogen forms a hydroxide group, coupled to the reduction of an actinide ion. The energy of atomic hydrogen adsorption on the UO2 (0.82 eV), NpO2 (−0.10 eV), and PuO2 (−1.25 eV) surfaces has been calculated. The dissociation of molecular hydrogen is not observed, shown to be due to kinetic rather than thermodynamic factors. As a barrier to the formation of a second hydroxyl group, an unusual charge distribution has been shown. This could be a limitation of a (1·1) unit cell method or an artefact of the systems. The recombination of hydrogen ions on the AnO2 (111) surfaces is favoured over hydroxide formation
Interaction of hydrogen with actinide dioxide (011) surfaces
The corrosion and oxidation of actinide metals, leading to the formation of metal-oxide surface layers with the catalytic evolution of hydrogen, impacts the management of nuclear materials. Here, the interaction of hydrogen with actinide dioxide (AnO2, An = U, Np, or Pu) (011) surfaces by Hubbard corrected density functional theory (PBEsol+U) has been studied, including spin–orbit interactions and non-collinear 3k anti-ferromagnetic behavior. The actinide dioxides crystalize in the fluorite-type structure, and although the (111) surface dominates the crystal morphology, the (011) surface energetics may lead to more significant interaction with hydrogen. The dissociative adsorption of hydrogen on the UO2 (0.44 eV), NpO2 (−0.47 eV), and PuO2 (−1.71 eV) (011) surfaces has been calculated. It is found that hydrogen dissociates on the PuO2 (011) surface; however, UO2 (011) and NpO2 (011) surfaces are relatively inert. Recombination of hydrogen ions is likely to occur on the UO2 (011) and NpO2 (011) surfaces, whereas hydroxide formation is shown to occur on the PuO2 (011) surface, which distorts the surface structure
DNA-based identification of Quambalaria pitereka causing severe leaf blight of Corymbia citriodora in China
Quambalaria spp. include serious plant pathogens, causing leaf and shoot blight of Corymbia and Eucalyptus spp. In this study, a disease resembling Quambalaria leaf blight was observed on young Corymbia citriodora trees in a plantation in the Guangdong Province of China. Comparisons of rDNA sequence data showed that the causal agent of the disease is Q. pitereka. This study provides the first report of Quambalaria leaf blight from China, and it is also the first time that this pathogen has been found on trees outside the native range of Eucalypts
Magnetic structure of UO2 and NpO2 by first-principle methods
The magnetic structure of the actinide dioxides (AnO2) remains a field of intense research. A low-temperature experimental investigation of the magnetic ground-state is complicated by thermal energy released from the radioactive decay of the actinide nuclei. To establish the magnetic ground-state, we have employed high-accuracy computational methods to systematically probe different magnetic structures. A transverse 1k antiferromagnetic ground-state with Fmmm (No. 69) crystal symmetry has been established for UO2, whereas a ferromagnetic (111) ground-state with R[3 with combining macron]m (No. 166) has been established for NpO2. Band structure calculations have been performed to analyse these results
Phylogeny of the Quambalariaceae fam. nov., including important Eucalyptus pathogens in South Africa and Australia
The genus Quambalaria consists of plant-pathogenic fungi causing
disease on leaves and shoots of species of Eucalyptus and its close
relative, Corymbia. The phylogenetic relationship of
Quambalaria spp., previously classified in genera such as
Sporothrix and Ramularia, has never been addressed. It has,
however, been suggested that they belong to the basidiomycete orders
Exobasidiales or Ustilaginales. The aim of this study was
thus to consider the ordinal relationships of Q. eucalypti and Q.
pitereka using ribosomal LSU sequences. Sequence data from the ITS nrDNA
were used to determine the phylogenetic relationship of the two
Quambalaria species together with Fugomyces (=
Cerinosterus) cyanescens. In addition to sequence data, the
ultrastructure of the septal pores of the species in question was compared.
From the LSU sequence data it was concluded that Quambalaria spp. and
F. cyanescens form a monophyletic clade in the
Microstromatales, an order of the Ustilaginomycetes.
Sequences from the ITS region confirmed that Q. pitereka and Q.
eucalypti are distinct species. The ex-type isolate of F.
cyanescens, together with another isolate from Eucalyptus in
Australia, constitute a third species of Quambalaria, Q.
cyanescens (de Hoog & G.A. de Vries) Z.W. de Beer, Begerow & R.
Bauer comb. nov. Transmission electron-microscopic studies of the septal pores
confirm that all three Quambalaria spp. have dolipores with swollen
lips, which differ from other members of the Microstromatales (i.e.
the Microstromataceae and Volvocisporiaceae) that have
simple pores with more or less rounded pore lips. Based on their unique
ultrastructural features and the monophyly of the three Quambalaria
spp. in the Microstromatales, a new family, Quambalariaceae
Z.W. de Beer, Begerow & R. Bauer fam. nov., is described
Quantum information distributors: Quantum network for symmetric and asymmetric cloning in arbitrary dimension and continuous limit
We show that for any Hilbert-space dimension, the optimal universal quantum
cloner can be constructed from essentially the same quantum circuit, i.e., we
find a universal design for universal cloners. In the case of infinite
dimensions (which includes continuous variable quantum systems) the universal
cloner reduces to an essentially classical device. More generally, we construct
a universal quantum circuit for distributing qudits in any dimension which acts
covariantly under generalized displacements and momentum kicks. The behavior of
this covariant distributor is controlled by its initial state. We show that
suitable choices for this initial state yield both universal cloners and
optimized cloners for limited alphabets of states whose states are related by
generalized phase-space displacements.Comment: 10 revtex pages, no figure
How much time does a measurement take?
We consider the problem of measurement using the Lindblad equation, which
allows the introduction of time in the interaction between the measured system
and the measurement apparatus. We use analytic results, valid for weak
system-environment coupling, obtained for a two-level system in contact with a
measurer (Markovian interaction) and a thermal bath (non-Markovian
interaction), where the measured observable may or may not commute with the
system-environment interaction. Analysing the behavior of the coherence, which
tends to a value asymptotically close to zero, we obtain an expression for the
time of measurement which depends only on the system-measurer coupling, and
which does not depend on whether the observable commutes with the system-bath
interaction. The behavior of the coherences in the case of strong
system-environment coupling, found numerically, indicates that an increase in
this coupling decreases the measurement time, thus allowing our expression to
be considered the upper limit for the duration of the process.Comment: REVISED VERSION: 17 pages, 2 figure
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