578 research outputs found
Density of mechanisms within the flexibility window of zeolites
By treating idealized zeolite frameworks as periodic mechanical trusses, we
show that the number of flexible folding mechanisms in zeolite frameworks is
strongly peaked at the minimum density end of their flexibility window. 25 of
the 197 known zeolite frameworks exhibit an extensive flexibility, where the
number of unique mechanisms increases linearly with the volume when long
wavelength mechanisms are included. Extensively flexible frameworks therefore
have a maximum in configurational entropy, as large crystals, at their lowest
density. Most real zeolites do not exhibit extensive flexibility, suggesting
that surface and edge mechanisms are important, likely during the nucleation
and growth stage. The prevalence of flexibility in real zeolites suggests that,
in addition to low framework energy, it is an important criterion when
searching large databases of hypothetical zeolites for potentially useful
realizable structures.Comment: 11 pages, 3 figure
Theory of extraordinary optical transmission through subwavelength hole arrays
We present a fully three-dimensional theoretical study of the extraordinary
transmission of light through subwavelength hole arrays in optically thick
metal films. Good agreement is obtained with experimental data. An analytical
minimal model is also developed, which conclusively shows that the enhancement
of transmission is due to tunneling through surface plasmons formed on each
metal-dielectric interfaces. Different regimes of tunneling (resonant through a
''surface plasmon molecule", or sequential through two isolated surface
plasmons) are found depending on the geometrical parameters defining the
system.Comment: 4 pages, 4 figure
Quantum theory of electromechanical noise and momentum transfer statistics
A quantum mechanical theory is developed for the statistics of momentum
transferred to the lattice by conduction electrons. Results for the
electromechanical noise power in the semiclassical diffusive transport regime
agree with a recent theory based on the Boltzmann-Langevin equation. All
moments of the transferred momentum are calculated for a single-channel
conductor with a localized scatterer, and compared with the known statistics of
transmitted charge.Comment: 10 pages, 2 figure
Enhancement of Friction between Carbon Nanotubes: An Efficient Strategy to Strengthen Fibers
Interfacial friction plays a crucial role in the mechanical properties of
carbon nanotube based fibers, composites, and devices. Here we use molecular
dynamics simulation to investigate the pressure effect on the friction within
carbon nanotube bundles. It reveals that the intertube frictional force can be
increased by a factor of 1.5 ~ 4, depending on tube chirality and radius, when
all tubes collapse above a critical pressure and when the bundle remains
collapsed with unloading down to atmospheric pressure. Furthermore, the overall
cross-sectional area also decreases significantly for the collapsed structure,
making the bundle stronger. Our study suggests a new and efficient way to
reinforce nanotube fibers, possibly stronger than carbon fibers, for usage at
ambient conditions.Comment: revtex, 5 pages, accepted by ACS Nano 10 Dec 200
Spectral compression of single photons
Photons are critical to quantum technologies since they can be used for
virtually all quantum information tasks: in quantum metrology, as the
information carrier in photonic quantum computation, as a mediator in hybrid
systems, and to establish long distance networks. The physical characteristics
of photons in these applications differ drastically; spectral bandwidths span
12 orders of magnitude from 50 THz for quantum-optical coherence tomography to
50 Hz for certain quantum memories. Combining these technologies requires
coherent interfaces that reversibly map centre frequencies and bandwidths of
photons to avoid excessive loss. Here we demonstrate bandwidth compression of
single photons by a factor 40 and tunability over a range 70 times that
bandwidth via sum-frequency generation with chirped laser pulses. This
constitutes a time-to-frequency interface for light capable of converting
time-bin to colour entanglement and enables ultrafast timing measurements. It
is a step toward arbitrary waveform generation for single and entangled
photons.Comment: 6 pages (4 figures) + 6 pages (3 figures
Ab-initio structural, elastic, and vibrational properties of carbon nanotubes
A study based on ab initio calculations is presented on the estructural,
elastic, and vibrational properties of single-wall carbon nanotubes with
different radii and chiralities. We use SIESTA, an implementation of
pseudopotential-density-functional theory which allows calculations on systems
with a large number of atoms per cell. Different quantities like bond
distances, Young moduli, Poisson ratio and the frequencies of different phonon
branches are monitored versus tube radius. The validity of expectations based
on graphite is explored down to small radii, where some deviations appear
related to the curvature effects. For the phonon spectra, the results are
compared with the predictions of the simple zone-folding approximation. Except
for the known defficiencies of this approximation in the low-frequency
vibrational regions, it offers quite accurate results, even for relatively
small radii.Comment: 13 pages, 7 figures, submitted to Phys. Rev. B (11 Nov. 98
Thermodynamic Behavior of a Model Covalent Material Described by the Environment-Dependent Interatomic Potential
Using molecular dynamics simulations we study the thermodynamic behavior of a
single-component covalent material described by the recently proposed
Environment-Dependent Interatomic Potential (EDIP). The parameterization of
EDIP for silicon exhibits a range of unusual properties typically found in more
complex materials, such as the existence of two structurally distinct
disordered phases, a density decrease upon melting of the low-temperature
amorphous phase, and negative thermal expansion coefficients for both the
crystal (at high temperatures) and the amorphous phase (at all temperatures).
Structural differences between the two disordered phases also lead to a
first-order transition between them, which suggests the existence of a second
critical point, as is believed to exist for amorphous forms of frozen water.
For EDIP-Si, however, the unusual behavior is associated not only with the open
nature of tetrahedral bonding but also with a competition between four-fold
(covalent) and five-fold (metallic) coordination. The unusual behavior of the
model and its unique ability to simulation the liquid/amorphous transition on
molecular-dynamics time scales make it a suitable prototype for fundamental
studies of anomalous thermodynamics in disordeered systems.Comment: 48 pages (double-spaced), 13 figure
New metallic allotropes of planar and tubular carbon
We propose a new family of layered sp2-like carbon crystals, incorporating five-, six-, and seven-membered rings in 2D Bravais lattices. These periodic sheets can be rolled so as to generate nanotubes of different diameter and chirality. We demonstrate that these sheets and tubes are metastable and more favorable than C60, and it is also shown that their mechanical properties are similar to those of graphene. Density of states calculations of all structures revealed an intrinsic metallic behavior, independent of orientation, tube diameter, and chirality
Mutation of von Hippel–Lindau Tumour Suppressor and Human Cardiopulmonary Physiology
BACKGROUND: The von Hippel–Lindau tumour suppressor protein–hypoxia-inducible factor (VHL–HIF) pathway has attracted widespread medical interest as a transcriptional system controlling cellular responses to hypoxia, yet insights into its role in systemic human physiology remain limited. Chuvash polycythaemia has recently been defined as a new form of VHL-associated disease, distinct from the classical VHL-associated inherited cancer syndrome, in which germline homozygosity for a hypomorphic VHL allele causes a generalised abnormality in VHL–HIF signalling. Affected individuals thus provide a unique opportunity to explore the integrative physiology of this signalling pathway. This study investigated patients with Chuvash polycythaemia in order to analyse the role of the VHL–HIF pathway in systemic human cardiopulmonary physiology. METHODS AND FINDINGS: Twelve participants, three with Chuvash polycythaemia and nine controls, were studied at baseline and during hypoxia. Participants breathed through a mouthpiece, and pulmonary ventilation was measured while pulmonary vascular tone was assessed echocardiographically. Individuals with Chuvash polycythaemia were found to have striking abnormalities in respiratory and pulmonary vascular regulation. Basal ventilation and pulmonary vascular tone were elevated, and ventilatory, pulmonary vasoconstrictive, and heart rate responses to acute hypoxia were greatly increased. CONCLUSIONS: The features observed in this small group of patients with Chuvash polycythaemia are highly characteristic of those associated with acclimatisation to the hypoxia of high altitude. More generally, the phenotype associated with Chuvash polycythaemia demonstrates that VHL plays a major role in the underlying calibration and homeostasis of the respiratory and cardiovascular systems, most likely through its central role in the regulation of HIF
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