272 research outputs found
Ab initio simulations of liquid NaSn alloys: Zintl anions and network formation
Using the Car-Parrinello technique, ab initio molecular dynamics simulations
are performed for liquid NaSn alloys in five different compositions (20, 40,
50, 57 and 80 % sodium). The obtained structure factors agree well with the
data from neutron scattering experiments. The measured prepeak in the structure
factor is reproduced qualitatively for most compositions. The calculated and
measured positions of all peaks show the same trend as function of the
composition.\\ The dynamic simulations also yield information about the
formation and stability of Sn clusters (Zintl anions) in the liquid. In our
simulations of compositions with 50 and 57 % sodium we observe the formation of
networks of tin atoms. Thus, isolated tin clusters are not stable in such
liquids. For the composition with 20 % tin only isolated atoms or dimers of tin
appear, ``octet compounds'' of one Sn atom surrounded by 4 Na atoms are not
observed.Comment: 12 pages, Latex, 3 Figures on reques
Resonant-to-nonresonant transition in electrostatic ion-cyclotron wave phase velocity
Because of the implications for plasmas in the laboratory and in space, attention has been drawn to inhomogeneous energy-density driven (IEDD) waves that are sustained by velocity-shear-induced inhomogeneity in cross-field plasma flow. These waves have a frequency vr in the lab frame within an order of magnitude of the ion gyrofrequency vci, propagate nearly perpendicular to the magnetic field (kz/k^ \u3c\u3c 1), and can be Landau resonant (0 \u3c v1/kz \u3c nd) with a parallel drifting electron population (drift speed nd), where subscripts 1 and r indicate frequency in the frame of flowing ions and in the lab frame, respectively, and kz is the parallel component of the wavevector. A transition in phase velocity from 0 \u3c v1/kz \u3c nd to 0 \u3e v1/kz \u3e nd for a pair of IEDD eigenmodes is observed as the degree of in-homogeneity in the transverse E × B flow is increased in a magnetized plasma column. For weaker velocity shear, both eigenmodes are dissipative, i.e. in Landau resonance, with kz nd \u3e 0. For stronger shear, both eigenmodes become reactive, with one\u27s wavevector component kz remaining parallel, but with v1/kz \u3e nd , and the other\u27s wavevector component kz becoming anti-parallel, so that 0 \u3e v1/kz . For both eigenmodes, the transition (1) involves a small frequency shift and (2) does not involve a sign change in the wave energy density, which is proportional to vr v1, both of which are previously unrecognized aspects of inhomogeneous energy-density driven waves
Resonant-to-nonresonant transition in electrostatic ion-cyclotron wave phase velocity
Because of the implications for plasmas in the laboratory and in space, attention has been drawn to inhomogeneous energy-density driven (IEDD) waves that are sustained by velocity-shear-induced inhomogeneity in cross-field plasma flow. These waves have a frequency vr in the lab frame within an order of magnitude of the ion gyrofrequency vci, propagate nearly perpendicular to the magnetic field (kz /k^ v1/kz nd) with a parallel drifting electron population (drift speed nd), where subscripts 1 and r indicate frequency in the frame of flowing ions and in the lab frame, respectively, and kz is the parallel component of the wavevector. A transition in phase velocity from 0 v1/kz nd to 0 > v1/kz > nd for a pair of IEDD eigenmodes is observed as the degree of in-homogeneity in the transverse E × B flow is increased in a magnetized plasma column. For weaker velocity shear, both eigenmodes are dissipative, i.e. in Landau resonance, with kz nd > 0. For stronger shear, both eigenmodes become reactive, with one's wavevector component kz remaining parallel, but with v1/kz > nd , and the other's wavevector component kz becoming anti-parallel, so that 0 > v1/kz . For both eigenmodes, the transition (1) involves a small frequency shift and (2) does not involve a sign change in the wave energy density, which is proportional to vr v1, both of which are previously unrecognized aspects of inhomogeneous energy-density driven waves
Bonding, Moment Formation, and Magnetic Interactions in Ca14MnBi11 and Ba14MnBi11
The ``14-1-11'' phase compounds based on magnetic Mn ions and typified by
Ca14MnBi11 and Ba14MnBi11 show unusual magnetic behavior, but the large number
(104) of atoms in the primitive cell has precluded any previous full electronic
structure study. Using an efficient, local orbital based method within the
local spin density approximation to study the electronic structure, we find a
gap between a bonding valence band complex and an antibonding conduction band
continuum. The bonding bands lack one electron per formula unit of being
filled, making them low carrier density p-type metals. The hole resides in the
MnBi4 tetrahedral unit and partially compensates the high spin d^5 Mn moment,
leaving a net spin near 4 \mu_B that is consistent with experiment. These
manganites are composed of two disjoint but interpenetrating `jungle gym'
networks of spin 4/2 MnBi4^{9-} units with ferromagnetic interactions within
the same network, and weaker couplings between the networks whose sign and
magnitude is sensitive to materials parameters. Ca14MnBi11 is calculated to be
ferromagnetic as observed, while for Ba14MnBi11 (which is antiferromagnetic)
the ferro- and antiferromagnetic states are calculated to be essentially
degenerate. The band structure of the ferromagnetic states is very close to
half metallic.Comment: 17 pages, containing 10 postscript figures and 5 tables. Two
additional figures (Fig.8 and 11 of the paper) are provided in JPG format in
separate files. Submitted to Phys. Rev. B on September 20th 200
Magnetoelectric ordering of BiFeO3 from the perspective of crystal chemistry
In this paper we examine the role of crystal chemistry factors in creating
conditions for formation of magnetoelectric ordering in BiFeO3. It is generally
accepted that the main reason of the ferroelectric distortion in BiFeO3 is
concerned with a stereochemical activity of the Bi lone pair. However, the lone
pair is stereochemically active in the paraelectric orthorhombic beta-phase as
well. We demonstrate that a crucial role in emerging of phase transitions of
the metal-insulator, paraelectric-ferroelectric and magnetic disorder-order
types belongs to the change of the degree of the lone pair stereochemical
activity - its consecutive increase with the temperature decrease. Using the
structural data, we calculated the sign and strength of magnetic couplings in
BiFeO3 in the range from 945 C down to 25 C and found the couplings, which
undergo the antiferromagnetic-ferromagnetic transition with the temperature
decrease and give rise to the antiferromagnetic ordering and its delay in
regard to temperature, as compared to the ferroelectric ordering. We discuss
the reasons of emerging of the spatially modulated spin structure and its
suppression by doping with La3+.Comment: 18 pages, 5 figures, 3 table
Diverse tick-borne microorganisms identified in free-living ungulates in Slovakia
Background: Free-living ungulates are hosts of ixodid ticks and reservoirs of tick-borne microorganisms in central Europe and many regions around the world. Tissue samples and engorged ticks were obtained from roe deer, red deer, fallow deer, mouflon, and wild boar hunted in deciduous forests of south-western Slovakia. DNA isolated from these samples was screened for the presence of tick-borne microorganisms by PCR-based methods. Results: Ticks were found to infest all examined ungulate species. The principal infesting tick was Ixodes ricinus, identified on 90.4% of wildlife, and included all developmental stages. Larvae and nymphs of Haemaphysalis concinna were feeding on 9.6% of wildlife. Two specimens of Dermacentor reticulatus were also identified. Ungulates were positive for A. phagocytophilum and Theileria spp. Anaplasma phagocytophilum was found to infect 96.1% of cervids, 88.9% of mouflon, and 28.2% of wild boar, whereas Theileria spp. was detected only in cervids (94.6%). Importantly, a high rate of cervids (89%) showed mixed infections with both these microorganisms. In addition to A. phagocytophilum and Theileria spp., Rickettsia helvetica, R. monacensis, unidentified Rickettsia sp., Coxiella burnetii, "Candidatus Neoehrlichia mikurensis", Borrelia burgdorferi (s.l.) and Babesia venatorum were identified in engorged I. ricinus. Furthermore, A. phagocytophilum, Babesia spp. and Theileria spp. were detected in engorged H. concinna. Analysis of 16S rRNA and groEL gene sequences revealed the presence of five and two A. phagocytophilum variants, respectively, among which sequences identified in wild boar showed identity to the sequence of the causative agent of human granulocytic anaplasmosis (HGA). Phylogenetic analysis of Theileria 18S rRNA gene sequences amplified from cervids and engorged I. ricinus ticks segregated jointly with sequences of T. capreoli isolates into a moderately supported monophyletic clade. Conclusions: The findings indicate that free-living ungulates are reservoirs for A. phagocytophilum and Theileria spp. and engorged ixodid ticks attached to ungulates are good sentinels for the presence of agents of public and veterinary concern. Further analyses of the A. phagocytophilum genetic variants and Theileria species and their associations with vector ticks and free-living ungulates are required.Fil: Kazimírová, Mária. Slovak Academy of Sciences. Institute of Zoology; EslovaquiaFil: Hamšíková, Zuzana. Slovak Academy of Sciences. Institute of Zoology; EslovaquiaFil: Spitalská, Eva. Slovak Academy of Sciences. Institute of Virology. Biomedical Research Center,; EslovaquiaFil: Minichová, Lenka. Slovak Academy of Sciences. Institute of Virology. Biomedical Research Center,; EslovaquiaFil: Mahríková, Lenka. Slovak Academy of Sciences. Institute of Zoology; EslovaquiaFil: Caban, Radoslav. Široká ; EslovaquiaFil: Sprong, Hein. National Institute for Public Health and Environment.Laboratory for Zoonoses and Environmental Microbiology; Países BajosFil: Fonville, Manoj. National Institute for Public Health and Environment.Laboratory for Zoonoses and Environmental Microbiology; Países BajosFil: Schnittger, Leonhard. Instituto Nacional de Tecnología Agropecuaria. Centro de Investigación en Ciencias Veterinarias y Agronómicas. Instituto de Patobiología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Kocianová, Elena. Slovak Academy of Sciences. Institute of Virology. Biomedical Research Center,; Eslovaqui
Molecular characterisation of protist parasites in human-habituated mountain gorillas (Gorilla beringei beringei), humans and livestock, from Bwindi impenetrable National Park, Uganda
Over 60 % of human emerging infectious diseases are zoonotic, and there is growing evidence of the zooanthroponotic transmission of diseases from humans to livestock and wildlife species, with major implications for public health, economics, and conservation. Zooanthroponoses are of relevance to critically endangered species; amongst these is the mountain gorilla (Gorilla beringei beringei) of Uganda. Here, we assess the occurrence of Cryptosporidium, Cyclospora, Giardia, and Entamoeba infecting mountain gorillas in the Bwindi Impenetrable National Park (BINP), Uganda, using molecular methods. We also assess the occurrence of these parasites in humans and livestock species living in overlapping/adjacent geographical regions
The extent of the psychological impairment of prosthodontic outpatients at a German University Hospital
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