1,678 research outputs found
The Nature of [Ar III] Bright Knots in the Crab Nebula
The kinematic and morphological properties of a string of [Ar III] bright
knots in the Crab Nebula are examined using 1994 - 1999 HST WFPC-2 images of
the remnant. We find that five southern [Ar III] bright knots exhibit ordinary
radial motions away from the nebula's center of expansion with magnitudes
consistent with their projected radial displacements. These results do not
support the suggestion by MacAlpine et al.(1994) that these knots might be
moving rapidly away from the Crab pulsar due to a collimated wind. The HST
images also do not show that the [Ar III] knots have unusual morphologies
relative to other features in the remnant. Our proper motion results, when
combined with radial velocity estimates, suggest these knots have relatively
low space velocities implying relatively interior remnant locations thus
placing them closer to the ionizing radiation from the Crab's synchrotron
nebula. This might lead to higher knot gas temperatures thereby explaining the
knots' unusual line emission strengths as MacAlpine et al.(1994) suspected.Comment: 11 pages including three figures. Submitted to the Astronomical
Journa
A first-principles study of helium storage in oxides and at oxide--iron interfaces
Density-functional theory calculations based on conventional as well as
hybrid exchange-correlation functionals have been carried out to study the
properties of helium in various oxides (Al2O3, TiO2, Y2O3, YAP, YAG, YAM, MgO,
CaO, BaO, SrO) as well as at oxide-iron interfaces. Helium interstitials in
bulk oxides are shown to be energetically more favorable than substitutional
helium, yet helium binds to existing vacancies. The solubility of He in oxides
is systematically higher than in iron and scales with the free volume at the
interstitial site nearly independently of the chemical composition of the
oxide. In most oxides He migration is significantly slower and He--He binding
is much weaker than in iron. To quantify the solubility of helium at oxide-iron
interfaces two prototypical systems are considered (Fe|MgO, Fe|FeO|MgO). In
both cases the He solubility is markedly enhanced in the interface compared to
either of the bulk phases. The results of the calculations allow to construct a
schematic energy landscape for He interstitials in iron. The implications of
these results are discussed in the context of helium sequestration in oxide
dispersion strengthened steels, including the effects of interfaces and lattice
strain.Comment: 13 pages, 10 figures, 4 table
Localized Coating Removal Using Plastic Media Blasting
USBI, a Division of United Technologies/ is responsible for the assembly, checkout and refurbishment of the structural, guidance and recovery components of the Solid Rocket Booster (SRB) as part of the NASA Space Transportation system/ Space Shuttle. The work is performed at Kennedy Space Center/ Florida and the contract is administered by Marshall Space Flight Center (MSFC) in Huntsville/ Alabama. Figure 1 shows the SRB and associated hardware that USBI is responsible for. Recently/ a considerable effort was made to qualify the use of Plastic Media Blasting (PMB) for safely and effectively removing paint and other coatings from SRB aluminum structures. As a result of the effort an improvement was made in the design of surface finishing equipment for processing flight hardware/ in addition to a potentially patentable idea on improved plastic media composition
Magneto-elastic coupling and unconventional magnetic ordering in triangular multiferroic AgCrS2
The temperature evolution of the crystal and magnetic structures of
ferroelectric sulfide AgCrS2 have been investigated by means of neutron
scattering. AgCrS2 undergoes at TN = 41.6 K a first-order phase transition,
from a paramagnetic rhombohedral R3m to an antiferromagnetic monoclinic
structure with a polar Cm space group. In addition to being ferroelectric below
TN, the low temperature phase of AgCrS2 exhibits an unconventional collinear
magnetic structure that can be described as double ferromagnetic stripes
coupled antiferromagnetically, with the magnetic moment of Cr+3 oriented along
b within the anisotropic triangular plane. The magnetic couplings stabilizing
this structure are discussed using inelastic neutron scattering results.
Ferroelectricity below TN in AgCrS2 can possibly be explained in terms of
atomic displacements at the magneto-elastic induced structural distortion.
These results contrast with the behavior of the parent frustrated
antiferromagnet and spin-driven ferroelectric AgCrO2
Total Chiral Symmetry Breaking during Crystallization: Who needs a "Mother Crystal"?
Processes that can produce states of broken chiral symmetry are of particular
interest to physics, chemistry and biology. Chiral symmetry breaking during
crystallization of sodium chlorate occurs via the production of secondary
crystals of the same handedness from a single "mother crystal" that seeds the
solution. Here we report that a large and "symmetric" population of D- and
L-crystals moves into complete chiral purity disappearing one of the
enantiomers. This result shows: (i) a new symmetry breaking process
incompatible with the hypothesis of a single "mother crystal"; (ii) that
complete symmetry breaking and chiral purity can be achieved from an initial
system with both enantiomers. These findings demand a new explanation to the
process of total symmetry breaking in crystallization without the intervention
of a "mother crystal" and open the debate on this fascinating phenomenon. We
present arguments to show that our experimental data can been explained with a
new model of "complete chiral purity induced by nonlinear autocatalysis and
recycling".Comment: 5 pages, 4 figures, Added reference
Electronic properties of silica nanowires
Thin nanowires of silicon oxide were studied by pseudopotential density
functional electronic structure calculations using the generalized gradient
approximation. Infinite linear and zigzag Si-O chains were investigated. A wire
composed of three-dimensional periodically repeated Si4O8 units was also
optimized, but this structure was found to be of limited stability. The
geometry, electronic structure, and Hirshfeld charges of these silicon oxide
nanowires were computed. The results show that the Si-O chain is metallic,
whereas the zigzag chain and the Si4O8 nanowire are insulators
Transferable Pair Potentials for CdS and ZnS Crystals
A set of interatomic pair potentials is developed for CdS and ZnS crystals.
We show that a simple energy function, which has been used to describe the
properties of CdSe [J. Chem. Phys. 116, 258 (2002)], can be parametrized to
accurately describe the lattice and elastic constants, and phonon dispersion
relations of bulk CdS and ZnS in the wurtzite and rocksalt crystal structures.
The predicted coexistence pressure of the wurtzite and rocksalt structures, as
well as the equation of state are in good agreement with experimental
observations. These new pair potentials enable the study of a wide range of
processes in bulk and nanocrystalline II-VI semiconductor materials
Ab initio studies of phonon softening and high pressure phase transitions of alpha-quartz SiO2
Density functional perturbation theory calculations of alpha-quartz using
extended norm conserving pseudopotentials have been used to study the elastic
properties and phonon dispersion relations along various high symmetry
directions as a function of bulk, uniaxial and non-hydrostatic pressure. The
computed equation of state, elastic constants and phonon frequencies are found
to be in good agreement with available experimental data. A zone boundary (1/3,
1/3, 0) K-point phonon mode becomes soft for pressures above P=32 GPa. Around
the same pressure, studies of the Born stability criteria reveal that the
structure is mechanically unstable. The phonon and elastic softening are
related to the high pressure phase transitions and amorphization of quartz and
these studies suggest that the mean transition pressure is lowered under
non-hydrostatic conditions. Application of uniaxial pressure, results in a
post-quartz crystalline monoclinic C2 structural transition in the vicinity of
the K-point instability. This structure, intermediate between quartz and
stishovite has two-thirds of the silicon atoms in octahedral coordination while
the remaining silicon atoms remain tetrahedrally coordinated. This novel
monoclinic C2 polymorph of silica, which is found to be metastable under
ambient conditions, is possibly one of the several competing dense forms of
silica containing octahedrally coordinated silicon. The possible role of high
pressure ferroelastic phases in causing pressure induced amorphization in
silica are discussed.Comment: 17 pages, 8 figs., 8 Table
First Principles Studies on 3-Dimentional Strong Topological Insulators: Bi2Te3, Bi2Se3 and Sb2Te3
Bi2Se3, Bi2Te3 and Sb2Te3 compounds are recently predicted to be
3-dimentional (3D) strong topological insulators. In this paper, based on
ab-initio calculations, we study in detail the topological nature and the
surface states of this family compounds. The penetration depth and the
spin-resolved Fermi surfaces of the surface states will be analyzed. We will
also present an procedure, from which highly accurate effective Hamiltonian can
be constructed, based on projected atomic Wannier functions (which keep the
symmetries of the systems). Such Hamiltonian can be used to study the
semi-infinite systems or slab type supercells efficiently. Finally, we discuss
the 3D topological phase transition in Sb2(Te1-xSex)3 alloy system.Comment: 8 pages,17 figure
Self-consistency over the charge-density in dynamical mean-field theory: a linear muffin-tin implementation and some physical implications
We present a simple implementation of the dynamical mean-field theory
approach to the electronic structure of strongly correlated materials. This
implementation achieves full self-consistency over the charge density, taking
into account correlation-induced changes to the total charge density and
effective Kohn-Sham Hamiltonian. A linear muffin-tin orbital basis-set is used,
and the charge density is computed from moments of the many body
momentum-distribution matrix. The calculation of the total energy is also
considered, with a proper treatment of high-frequency tails of the Green's
function and self-energy. The method is illustrated on two materials with
well-localized 4f electrons, insulating cerium sesquioxide Ce2O3 and the
gamma-phase of metallic cerium, using the Hubbard-I approximation to the
dynamical mean-field self-energy. The momentum-integrated spectral function and
momentum-resolved dispersion of the Hubbard bands are calculated, as well as
the volume-dependence of the total energy. We show that full self-consistency
over the charge density, taking into account its modification by strong
correlations, can be important for the computation of both thermodynamical and
spectral properties, particularly in the case of the oxide material.Comment: 20 pages, 6 figures (submitted in The Physical Review B
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