11,051 research outputs found
Unfolding Rates for the Diffusion-Collision Model
In the diffusion-collision model, the unfolding rates are given by the
likelihood of secondary structural cluster dissociation. In this work, we
introduce an unfolding rate calculation for proteins whose secondary structural
elements are -helices, modeled from thermal escape over a barrier which
arises from the free energy in buried hydrophobic residues. Our results are in
good agreement with currently accepted values for the attempt rate.Comment: Shorter version of cond-mat/0011024 accepted for publication in PR
Size effects in multiferroic BiFeO3 nanodots: A first-principles-based study
An effective Hamiltonian scheme is developed to investigate structural and
magnetic properties of BiFeO3 nanodots under short-circuit-like electrical
boundary conditions. Various striking effects are discovered. Examples include
(a) scaling laws involving the inverse of the dots' size for the magnetic and
electric transition temperatures; (b) the washing out of some structural phases
present in the bulk via size effects; (c) the possibility of tailoring the
difference between the Neel and Curie temperatures, by playing with the size
and electrical boundary conditions; and (d) an universal critical thickness of
the order of 1.6 nm below which the dots do not possess any long-range ordering
for the electrical and magnetic dipoles, as well as, for the oxygen octahedral
tiltings.Comment: 3 figure
Independent Configurable Architecture for Reliable Operation of Unmanned Systems with Distributed Onboard Services
This paper presents the development of ICAROUS-2 (Independent Configurable Architecture for Reliable Operation of Unmanned Systems with Distributed Onboard Services), the second generation of a software architecture that integrates several algorithms as distributed onboard services to enable robust autonomous UAS applications. In particular, the ICAROUS architecture defines a framework to perform detect and avoid, geofencing, path monitoring, path planning, and autonomous decision making to ensure safety and mission progress. Most of the core algorithms implemented in ICAROUS are formally verified using an interactive theorem prover. These algorithms are composed together using a plan execution engine, whose operational semantics is formally specified. A description of the integrated architecture, services currently available, and flight test results highlighting the capability of ICAROUS are presented
Effect of Dilution on First Order Transitions: The Three Dimensional Three States Potts Model
We have studied numerically the effect of quenched site dilution on a first
order phase transition in three dimensions. We have simulated the site diluted
three states Potts model studying in detail the second order region of its
phase diagram. We have found that the exponent is compatible with the one
of the three dimensional diluted Ising model whereas the exponent is
definitely different.Comment: RevTex. 6 pages and 6 postscript figure
Spin injection in a single metallic nanoparticle: a step towards nanospintronics
We have fabricated nanometer sized magnetic tunnel junctions using a new
nanoindentation technique in order to study the transport properties of a
single metallic nanoparticle. Coulomb blockade effects show clear evidence for
single electron tunneling through a single 2.5 nm Au cluster. The observed
magnetoresistance is the signature of spin conservation during the transport
process through a non magnetic cluster.Comment: 3 page
The high-pressure behavior of CaMoO4
We report a high-pressure study of tetragonal scheelite-type CaMoO4 up to 29
GPa. In order to characterize its high-pressure behavior, we have combined
Raman and optical-absorption measurements with density-functional theory
calculations. We have found evidence of a pressure-induced phase transition
near 15 GPa. Experiments and calculations agree in assigning the high-pressure
phase to a monoclinic fergusonite-type structure. The reported results are
consistent with previous powder x-ray-diffraction experiments, but are in
contradiction with the conclusions obtained from earlier Raman measurements,
which support the existence of more than one phase transition in the pressure
range covered by our studies. The observed scheelite-fergusonite transition
induces significant changes in the electronic band gap and phonon spectrum of
CaMoO4. We have determined the pressure evolution of the band gap for the low-
and high-pressure phases as well as the frequencies and pressure dependences of
the Raman-active and infrared-active modes. In addition, based upon
calculations of the phonon dispersion of the scheelite phase, carried out at a
pressure higher than the transition pressure, we propose a possible mechanism
for the reported phase transition. Furthermore, from the calculations we
determined the pressure dependence of the unit-cell parameters and atomic
positions of the different phases and their room-temperature equations of
state. These results are compared with previous experiments showing a very good
agreement. Finally, information on bond compressibility is reported and
correlated with the macroscopic compressibility of CaMoO4. The reported results
are of interest for the many technological applications of this oxide.Comment: 36 pages, 10 figures, 8 table
Biological and chemical studies of Pera benensis, a Bolivian plant used in folk medicine as a treatment of cutaneous leishmaniasis
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