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Nanoimaging of Organic Charge Retention Effects: Implications for Nonvolatile Memory, Neuromorphic Computing, and High Dielectric Breakdown Devices
While a large variety of organic and molecular materials have been found to exhibit charge memory effects, the underlying mechanism is not well-understood, which hinders rational device design. Here, we study the charge retention mechanism of a nanoscale memory system, an organic monolayer on a silicon substrate, with Au nanoparticles on top serving as the electrical contact. Combining scanning probe imaging/manipulation and density functional simulations, we observe stable charge retention effects in the system and attributed it to polaron effects at the amine functional groups. Our findings can pave the way for applications in nonvolatile memory, neuromorphic computing, and high dielectric breakdown devices
Predicting dislocation climb: Classical modeling versus atomistic simulations
The classical modeling of dislocation climb based on a continuous description
of vacancy diffusion is compared to recent atomistic simulations of dislocation
climb in body-centered cubic iron under vacancy supersaturation [Phys. Rev.
Lett. 105 095501 (2010)]. A quantitative agreement is obtained, showing the
ability of the classical approach to describe dislocation climb. The analytical
model is then used to extrapolate dislocation climb velocities to lower
dislocation densities, in the range corresponding to experiments. This allows
testing of the validity of the pure climb creep model proposed by Kabir et al.
[Phys. Rev. Lett. 105 095501 (2010)]
Kantian Meadows: A Just Nursing Home Grounded in the Categorical Imperative
This dissertation examines the structures of contemporary nursing homes and argues that the structure is conducive to the objectification (treatment of a human being as a non-person) of nursing home residents. In order to eliminate the potential for objectification, this project employs the Kantian categorical imperative as its theoretical framework. Based on that framework Kantian Meadows is created as an example of a just nursing home
Loss of strength in Ni3Al at elevated temperatures
Stress decrease above the stress peak temperature (750 K) is studied in h123i single crystals of Ni3(Al, 3 at.% Hf ). Two thermally activated deformation mechanisms are evidenced on the basis of stress relaxation and strain rate change experiments. From 500 to 1070 K, the continuity of the activation volume/temperature curves reveals a single mechanism of activation enthalpy 3.8 eV/atom and volume 90 b3 at 810K with an athermal stress of 330 MPa. Over the very same temperature interval, impurity or solute diffusion towards dislocation cores is evidenced
through serrated yielding, peculiar shapes of stress–strain curves while changing the rate of straining and stress relaxation experiments. This complicates the
identification of the deformation mechanism, which is likely connected with cube glide. From 1070 to 1270 K, the high-temperature mechanism has an activation
enthalpy and volume of 4.8 eV/atom and 20 b3, respectively, at 1250 K
Screw dislocation in zirconium: An ab initio study
Plasticity in zirconium is controlled by 1/3 screw dislocations
gliding in the prism planes of the hexagonal close-packed structure. This
prismatic and not basal glide is observed for a given set of transition metals
like zirconium and is known to be related to the number of valence electrons in
the d band. We use ab initio calculations based on the density functional
theory to study the core structure of screw dislocations in zirconium.
Dislocations are found to dissociate in the prism plane in two partial
dislocations, each with a pure screw character. Ab initio calculations also
show that the dissociation in the basal plane is unstable. We calculate then
the Peierls barrier for a screw dislocation gliding in the prism plane and
obtain a small barrier. The Peierls stress deduced from this barrier is lower
than 21 MPa, which is in agreement with experimental data. The ability of an
empirical potential relying on the embedded atom method (EAM) to model
dislocations in zirconium is also tested against these ab initio calculations
Membrane patterned by pulsed laser micromachining for proton exchange membrane fuel cell with sputtered ultra-low catalyst loadings
International audienceProton exchange membranes were nano-and micro-patterned on their cathode side by pressing them against stainless steel molds previously irradiated by a Ti:Sapphire femtosecond laser. The membranes were associated to ultra-low loaded thin catalytic layers (25 µgPt cm-2) prepared by plasma magnetron sputtering. The Pt catalyst was sputtered either on the membrane or on the porous electrode. The fuel cell performance in dry conditions were found to be highly dependent on the morphology of the membrane surface. When nanometric ripples covered by a Pt catalyst were introduced on the surface of the membrane, the fuel cell outperformed the conventional one with a flat membrane. By combining nano-and micro-patterns (nanometric ripples and 11-24 µm deep craters), the performance of the cells was clearly enhanced. The maximum power density achieved by the fuel cell was multiplied by a factor of 3.6 (at 50 °C and 3 bars): 438 mW cm-2 vs 122 mW cm-2. This improvement is due to high catalyst utilization with a high membrane conductivity. When Pt is sputtered on the porous electrode (and not on the membrane), the contribution of the patterned membrane to the fuel cell efficiency was less significant, except in the presence of nanometric ripples. This result suggests that the patterning of the membrane must be consistent with the way the catalyst is synthesized, on the membrane or on the porous electrode
Solid polymer fuel cell synthesis by low pressure plasmas: a short review
In this review, we report on the use of low pressure plasmas for elaborating materials at the heart of solid polymer fuel cells (SPFC), especially electrodes and the membrane electrolyte. Electrodes are formed using plasma sputtering techniques while the ion conducting membranes are built up using plasma polymerization. Fuel cell performance will be improved by these approaches. The electrode catalyst profile is optimized while membrane working temperature is increased and methanol crossover is lowered compared to conventional PEM fuel cells.We gratefully thank GdR 2479 PACEM, Université d'Orléans,
SPI-CNRS, ACI ECD 2004 (Ministry of Research) for grants
and constant support
Flip dynamics in octagonal rhombus tiling sets
We investigate the properties of classical single flip dynamics in sets of
two-dimensional random rhombus tilings. Single flips are local moves involving
3 tiles which sample the tiling sets {\em via} Monte Carlo Markov chains. We
determine the ergodic times of these dynamical systems (at infinite
temperature): they grow with the system size like ;
these dynamics are rapidly mixing. We use an inherent symmetry of tiling sets
and a powerful tool from probability theory, the coupling technique. We also
point out the interesting occurrence of Gumbel distributions.Comment: 5 Revtex pages, 4 figures; definitive versio
Molecular dynamics simulations of ternary PtxPdyAuz fuel cell nanocatalyst growth
International audienceMolecular dynamics simulation of PEMFC cathodes based on ternary Pt70Pd15Au15 and Pt50Pd25Au25 nanocatalysts dispersed on carbon indicate systematic Au segregation from the particle bulk to the surface, leading to an Au layer coating the cluster surface and to the spontaneous formation of a Pt@Pd@Au core-shell structure. For Au content below 25at%, surface Ptx Pdy active sites are available for efficient oxygen reduction reaction, in agreement with DFT calculations and experimental data. Simulations of direct core@shell system prepared in conditions mimicking those of plasma sputtering deposition pointed out an increase of the number of accessible PtxPd y surface active sites. Core-shell nanocatalyst morphology changes occur due to impinging Pt kinetic energy confinement and dissipation
Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calculations
We use a physically-based crystal plasticity model to predict the yield
strength of body-centered cubic (bcc) tungsten single crystals subjected to
uniaxial loading. Our model captures the thermally-activated character of screw
dislocation motion and full non-Schmid effects, both of which are known to play
a critical role in bcc plasticity. The model uses atomistic calculations as the
sole source of constitutive information, with no parameter fitting of any kind
to experimental data. Our results are in excellent agreement with experimental
measurements of the yield stress as a function of temperature for a number of
loading orientations. The validated methodology is then employed to calculate
the temperature and strain-rate dependence of the yield strength for 231
crystallographic orientations within the standard stereographic triangle. We
extract the strain-rate sensitivity of W crystals at different temperatures,
and finish with the calculation of yield surfaces under biaxial loading
conditions that can be used to define effective yield criteria for engineering
design models
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