1,207 research outputs found
On the equation of state of a dense columnar liquid crystal
An accurate description of a columnar liquid crystal of hard disks at high
packing fractions is presented using an improved free-volume theory. It is
shown that the orientational entropy of the disks in the one-dimensional fluid
direction leads to a different high-density scaling pressure compared to the
prediction from traditional cell theory. Excellent quantitative agreement is
found with recent Monte-Carlo simulation results for various thermodynamic and
structural properties of the columnar state.Comment: 4 pages, 2 figures, to appear in Phys. Rev. Let
Transient x-ray diffraction used to diagnose shock compressed Si crystals on the Nova laser
Transient x-ray diffraction is used to record time-resolved information about the shock compression of materials. This technique has been applied on Nova shock experiments driven using a hohlraum x-ray drive. Data were recorded from the shock release at the free surface of a Si crystal, as well as from Si at an embedded ablator/Si interface. Modeling has been done to simulate the diffraction data incorporating the strained crystal rocking curves and Bragg diffraction efficiencies. Examples of the data and post-processed simulations are presented
Photothermal Absorption Spectroscopy of Individual Semiconductor Nanocrystals
Photothermal heterodyne detection is used to record the first
room-temperature absorption spectra of single CdSe/ZnS semiconductor
nanocrystals. These spectra are recorded in the high cw excitation regime, and
the observed bands are assigned to transitions involving biexciton and trion
states. Comparison with the single nanocrystals photoluminescence spectra leads
to the measurement of spectral Stokes shifts free from ensemble averaging
Influence of Nanoparticle Size and Shape on Oligomer Formation of an Amyloidogenic Peptide
Understanding the influence of macromolecular crowding and nanoparticles on
the formation of in-register -sheets, the primary structural component
of amyloid fibrils, is a first step towards describing \emph{in vivo} protein
aggregation and interactions between synthetic materials and proteins. Using
all atom molecular simulations in implicit solvent we illustrate the effects of
nanoparticle size, shape, and volume fraction on oligomer formation of an
amyloidogenic peptide from the transthyretin protein. Surprisingly, we find
that inert spherical crowding particles destabilize in-register -sheets
formed by dimers while stabilizing -sheets comprised of trimers and
tetramers. As the radius of the nanoparticle increases crowding effects
decrease, implying smaller crowding particles have the largest influence on the
earliest amyloid species. We explain these results using a theory based on the
depletion effect. Finally, we show that spherocylindrical crowders destabilize
the ordered -sheet dimer to a greater extent than spherical crowders,
which underscores the influence of nanoparticle shape on protein aggregation
Synthesis of CdS and CdSe nanocrystallites using a novel single-molecule precursors approach
The synthesis of CdS and CdSe nanocrystallites using the thermolysis of several dithioor
diselenocarbamato complexes of cadmium in trioctylphosphine oxide (TOPO) is reported.
The nanodispersed materials obtained show quantum size effects in their optical spectra
and exhibit near band-edge luminescence. The influence of experimental parameters on
the properties of the nanocrystallites is discussed. HRTEM images of these materials show
well-defined, crystalline nanosized particles. Standard size fractionation procedures can
be performed in order to narrow the size dispersion of the samples. The TOPO-capped CdS
and CdSe nanocrystallites and simple organic bridging ligands, such as 2,2¢-bipyrimidine,
are used as the starting materials for the preparation of novel nanocomposites. The optical
properties shown by these new nanocomposites are compared with those of the starting
nanodispersed materials
A pseudopotential study of electron-hole excitations in colloidal, free-standing InAs quantum dots
Excitonic spectra are calculated for free-standing, surface passivated InAs
quantum dots using atomic pseudopotentials for the single-particle states and
screened Coulomb interactions for the two-body terms. We present an analysis of
the single particle states involved in each excitation in terms of their
angular momenta and Bloch-wave parentage. We find that (i) in agreement with
other pseudopotential studies of CdSe and InP quantum dots, but in contrast to
k.p calculations, dot states wavefunction exhibit strong odd-even angular
momentum envelope function mixing (e.g. with ) and large
valence-conduction coupling. (ii) While the pseudopotential approach produced
very good agreement with experiment for free-standing, colloidal CdSe and InP
dots, and for self-assembled (GaAs-embedded) InAs dots, here the predicted
spectrum does {\em not} agree well with the measured (ensemble average over dot
sizes) spectra. (1) Our calculated excitonic gap is larger than the PL measure
one, and (2) while the spacing between the lowest excitons is reproduced, the
spacings between higher excitons is not fit well. Discrepancy (1) could result
from surface states emission. As for (2), agreement is improved when account is
taken of the finite size distribution in the experimental data. (iii) We find
that the single particle gap scales as (not ), that the
screened (unscreened) electron-hole Coulomb interaction scales as
(), and that the eccitonic gap sclaes as . These scaling
laws are different from those expected from simple models.Comment: 12 postscript figure
Electrically-driven phase transition in magnetite nanostructures
Magnetite (FeO), an archetypal transition metal oxide, has been
used for thousands of years, from lodestones in primitive compasses[1] to a
candidate material for magnetoelectronic devices.[2] In 1939 Verwey[3] found
that bulk magnetite undergoes a transition at T 120 K from a
high temperature "bad metal" conducting phase to a low-temperature insulating
phase. He suggested[4] that high temperature conduction is via the fluctuating
and correlated valences of the octahedral iron atoms, and that the transition
is the onset of charge ordering upon cooling. The Verwey transition mechanism
and the question of charge ordering remain highly controversial.[5-11] Here we
show that magnetite nanocrystals and single-crystal thin films exhibit an
electrically driven phase transition below the Verwey temperature. The
signature of this transition is the onset of sharp conductance switching in
high electric fields, hysteretic in voltage. We demonstrate that this
transition is not due to local heating, but instead is due to the breakdown of
the correlated insulating state when driven out of equilibrium by electrical
bias. We anticipate that further studies of this newly observed transition and
its low-temperature conducting phase will shed light on how charge ordering and
vibrational degrees of freedom determine the ground state of this important
compound.Comment: 17 pages, 4 figure
First-Principles Dynamical Coherent-Potential Approximation Approach to the Ferromagnetism of Fe, Co, and Ni
Magnetic properties of Fe, Co, and Ni at finite temperatures have been
investigated on the basis of the first-principles dynamical CPA (Coherent
Potential Approximation) combined with the LDA (Local Density Approximation) +
Hamiltonian in the Tight-Binding Linear Muffintin Orbital (TB-LMTO)
representation. The Hamiltonian includes the transverse spin fluctuation terms.
Numerical calculations have been performed within the harmonic approximation
with 4th-order dynamical corrections. Calculated single-particle densities of
states in the ferromagnetic state indicate that the dynamical effects reduce
the exchange splitting, suppress the band width of the quasi-particle state,
and causes incoherent excitations corresponding the 6 eV satellites. Results of
the magnetization vs temperature curves, paramagnetic spin susceptibilities,
and the amplitudes of local moments are presented. Calculated Curie
temperatures () are reported to be 1930K for Fe, 2550K for Co, and
620K for Ni; for Fe and Co are overestimated by a factor of 1.8,
while in Ni agrees with the experimental result. Effective Bohr
magneton numbers calculated from the inverse susceptibilities are 3.0 (Fe), 3.0 (Co), and 1.6 (Ni), being in
agreement with the experimental ones. Overestimate of in Fe and Co
is attributed to the neglects of the higher-order dynamical effects as well as
the magnetic short range order.Comment: 10 pages, 13 figure
Electrical Resistivity of Lanthanum, Praseodymium, Neodymium, and Samarium
The electrical resistivities of polycrystalline samples of La, Pr, Nd, and Sm are reported in the temperature range 1.3 to 300 deg K. La exhibits a superconducting transition at 5.8 deg K. The curve for Pr has slope changes at 61 and 95 deg K. The Nd curve shows small jumps at 5 and 20 deg K. Sm shows slope changes at 14 and 106 deg K. (auth
Task shifting and integration of HIV care into primary care in South Africa: The development and content of the streamlining tasks and roles to expand treatment and care for HIV (STRETCH) intervention
Background: Task shifting and the integration of human immunodeficiency virus (HIV) care into primary care services have been identified as possible strategies for improving access to antiretroviral treatment (ART). This paper describes the development and content of an intervention involving these two strategies, as part of the Streamlining Tasks and Roles to Expand Treatment and Care for HIV (STRETCH) pragmatic randomised controlled trial. Methods: Developing the intervention: The intervention was developed following discussions with senior management, clinicians, and clinic staff. These discussions revealed that the establishment of separate antiretroviral treatment services for HIV had resulted in problems in accessing care due to the large number of patients at ART clinics. The intervention developed therefore combined the shifting from doctors to nurses of prescriptions of antiretrovirals (ARVs) for uncomplicated patients and the stepwise integration of HIV care into primary care services. Results: Components of the intervention: The intervention consisted of regulatory changes, training, and guidelines to support nurse ART prescription, local management teams, an implementation toolkit, and a flexible, phased introduction. Nurse supervisors were equipped to train intervention clinic nurses in ART prescription using outreach education and an integrated primary care guideline. Management teams were set up and a STRETCH coordinator was appointed to oversee the implementation process. Discussion: Three important processes were used in developing and implementing this intervention: active participation of clinic staff and local and provincial management, educational outreach to train nurses in intervention sites, and an external facilitator to support all stages of the intervention rollout
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