163 research outputs found
Random phase approximation up to the melting point: Impact of anharmonicity and nonlocal many-body effects on the thermodynamics of Au
Application of the generalized gradient corrected functional within standard density-functional theory results in a dramatic failure for Au, leading to divergent thermodynamic properties well below the melting point. By combining the upsampled thermodynamic integration using Langevin dynamics technique with the random phase approximation, we show that inclusion of nonlocal many-body effects leads to a stabilization and to an excellent agreement with experiment. © Published by the American Physical Society
2-Sulfoethylammonium trifluoromethanesulfonate as an Ionic Liquid for High Temperature PEM Fuel Cells
2-Sulfoethylammonium trifluoromethanesulfonate ([2-Sea+][TfOâ]) represents a novel class of proton-conducting ionic liquids (PILs) based on aminoalkylsulfonic acids. The fundamental suitability of [2-Sea+][TfOâ] for application as a protic electrolyte in high temperature PEM fuel cells (HT-PEFCs) was investigated up to a temperature of 130°C. A comparison was made against a state-of-the-art electrolyte, phosphoric acid. [2-Sea+][TfOâ] is electrochemically and thermally stable up to 140°C. The specific conductivity of 95 wt% [2-Sea+][TfOâ] aqueous solution at 130°C is â20 times lower compared to 95 wt% H3PO4. The strong coupling of ion transport and viscous flow suggests a vehicular ion (proton) transport in [2-Sea+][TfOâ]. 95 wt% [2-Sea+][TfOâ] shows superior kinetics in terms of oxygen reduction reaction (ORR) on polycrystalline Pt compared to 95 wt% H3PO4 at temperatures greater than 90°C in a fuel cell-applicable potential range. Double layer capacitances suggest a complex double layer structure, including adsorbed [2-Sea+][TfOâ] and water, as well as intermediates of oxygen reduction and Pt oxidation. Potential and temperature-dependent ORR kinetics in the presence of 95 wt% [2-Sea+][TfOâ] yield different Tafel slopes (b = 82â139 mV) and symmetry factors (ÎČ = 0.46â0.96), indicating changes in surface coverages of the adsorbed species and possibly also a change in the reaction mechanism
A Continuum Saltation Model for Sand Dunes
We derive a phenomenological continuum saltation model for aeolian sand
transport that can serve as an efficient tool for geomorphological
applications. The coupled differential equations for the average density and
velocity of sand in the saltation layer reproduce both known equilibrium
relations for the sand flux and the time evolution of the sand flux as
predicted by microscopic saltation models. The three phenomenological
parameters of the model are a reference height for the grain-air interaction,
an effective restitution coefficient for the grain-bed interaction, and a
multiplication factor characterizing the chain reaction caused by the impacts
leading to a typical time or length scale of the saturation transients. We
determine the values of these parameters by comparing our model with wind
tunnel measurements. Our main interest are out of equilibrium situations where
saturation transients are important, for instance at phase boundaries
(ground/sand) or under unsteady wind conditions. We point out that saturation
transients are indispensable for a proper description of sand flux over
structured terrain, by applying the model to the windward side of an isolated
dune, thereby resolving recently reported discrepancies between field
measurements and theoretical predictions.Comment: 11 pages, 7 figure
Corridors of barchan dunes: stability and size selection
Barchans are crescentic dunes propagating on a solid ground. They form dune
fields in the shape of elongated corridors in which the size and spacing
between dunes are rather well selected. We show that even very realistic models
for solitary dunes do not reproduce these corridors. Instead, two instabilities
take place. First, barchans receive a sand flux at their back proportional to
their width while the sand escapes only from their horns. Large dunes
proportionally capture more than they loose sand, while the situation is
reversed for small ones: therefore, solitary dunes cannot remain in a steady
state. Second, the propagation speed of dunes decreases with the size of the
dune: this leads -- through the collision process -- to a coarsening of barchan
fields. We show that these phenomena are not specific to the model, but result
from general and robust mechanisms. The length scales needed for these
instabilities to develop are derived and discussed. They turn out to be much
smaller than the dune field length. As a conclusion, there should exist further
- yet unknown - mechanisms regulating and selecting the size of dunes.Comment: 13 pages, 13 figures. New version resubmitted to Phys. Rev. E.
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The InSight HP^3 mole on Mars: Lessons learned from attempts to penetrate to depth in the Martian soil
The NASA InSight mission payload includes the Heat Flow and Physical
Properties Package HP^3 to measure the surface heat flow. The package was
designed to use a small penetrator - nicknamed the mole - to implement a string
of temperature sensors in the soil to a depth of 5m. The mole itself is
equipped with sensors to measure a thermal conductivity as it proceeds to
depth. The heat flow would be calculated from the product of the temperature
gradient and the thermal conductivity. To avoid the perturbation caused by
annual surface temperature variations, the measurements would be taken at a
depth between 3 m and 5 m. The mole was designed to penetrate cohesionless soil
similar to Quartz sand which was expected to provide a good analogue material
for Martian sand. The sand would provide friction to the buried mole hull to
balance the remaining recoil of the mole hammer mechanism that drives the mole
forward. Unfortunately, the mole did not penetrate more than a mole length of
40 cm. The failure to penetrate deeper was largely due to a few tens of
centimeter thick cohesive duricrust that failed to provide the required
friction. Although a suppressor mass and spring in the hammer mechanism
absorbed much of the recoil, the available mass did not allow a system that
would have eliminated the recoil. The mole penetrated to 40 cm depth benefiting
from friction provided by springs in the support structure from which it was
deployed. It was found in addition that the Martian soil provided unexpected
levels of penetration resistance that would have motivated to designing a more
powerful mole. It is concluded that more mass would have allowed to design a
more robust system with little or no recoil, more energy of the mole hammer
mechanism and a more massive support structure.Comment: 34 pages, 15 figures, submitted to Adnaves in Space Researc
Collision dynamics of two barchan dunes simulated by a simple model
The collision processes of two crescentic dunes called barchans are
systematically studied using a simple computer simulation model. The simulated
processes, coalescence, ejection and reorganization, qualitatively correspond
to those observed in a water tank experiment. Moreover we found the realized
types of collision depend both on the mass ratio and on the lateral distance
between barchans under initial conditions. A simple set of differential
equations to describe the collision of one-dimensional (1D) dunes is
introduced.Comment: 4 pages, 5 figures : To be published in Journal of the Physical
Society of Japa
Double-plating of ovine critical sized defects of the tibia: a low morbidity model enabling continuous in vivo monitoring of bone healing
<p>Abstract</p> <p>Background</p> <p>Recent studies using sheep critical sized defect models to test tissue engineered products report high morbidity and complications rates. This study evaluates a large bone defect model in the sheep tibia, stabilized with two, a novel Carbon fibre Poly-ether-ether-ketone (CF-PEEK) and a locking compression plate (LCP) which could sustain duration for up to 6 month with an acceptable low complication rate.</p> <p>Methods</p> <p>A large bone defect of 3 cm was performed in the mid diaphysis of the right tibia in 33 sheep. The defect was stabilised with the CF - PEEK plate and an LCP. All sheep were supported with slings for 8 weeks after surgery. The study was carried out for 3 months in 6 and for 6 months in 27 animals.</p> <p>Results</p> <p>The surgical procedure could easily be performed in all sheep and continuous in vivo radiographic evaluation of the defect was possible. This long bone critical sized defect model shows with 6.1% a low rate of complications compared with numbers mentioned in the literature.</p> <p>Conclusions</p> <p>This experimental animal model could serve as a standard model in comparative research. A well defined standard model would reduce the number of experimental animals needed in future studies and would therefore add to ethical considerations.</p
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