Hydrogen solubility in zirconium intermetallic second phase particles

The enthalpies of solution of H in Zr binary intermetallic compounds formed with Cu, Cr, Fe, Mo, Ni, Nb, Sn and V were calculated by means of density functional theory simulations and compared to that of H in {\alpha}-Zr. It is predicted that all Zr-rich phases (formed with Cu, Fe, Ni and Sn), and those phases formed with Nb and V, offer lower energy, more stable sites for H than {\alpha}-Zr. Conversely, Mo and Cr containing phases do not provide preferential solution sites for H. In all cases the most stable site for H are those that offer the highest coordination fraction of Zr atoms. Often these are four Zr tetrahedra but not always. Implications with respect to H-trapping properties of commonly observed ternary phases such as Zr(Cr,Fe)2, Zr2(Fe,Ni) and Zr(Nb,Fe)2 are also discussed.Comment: manuscript accepted for publication in Journal of Nuclear Materials (2013

Toward a structural understanding of turbulent drag reduction: nonlinear coherent states in viscoelastic shear flows

Nontrivial steady flows have recently been found that capture the main structures of the turbulent buffer layer. We study the effects of polymer addition on these "exact coherent states" (ECS) in plane Couette flow. Despite the simplicity of the ECS flows, these effects closely mirror those observed experimentally: Structures shift to larger length scales, wall-normal fluctuations are suppressed while streamwise ones are enhanced, and drag is reduced. The mechanism underlying these effects is elucidated. These results suggest that the ECS are closely related to buffer layer turbulence.Comment: 5 pages, 3 figures, published version, Phys. Rev. Lett. 89, 208301 (2002

Direct numerical simulations of statistically steady, homogeneous, isotropic fluid turbulence with polymer additives

We carry out a direct numerical simulation (DNS) study that reveals the effects of polymers on statistically steady, forced, homogeneous, isotropic fluid turbulence. We find clear manifestations of dissipation-reduction phenomena: On the addition of polymers to the turbulent fluid, we obtain a reduction in the energy dissipation rate, a significant modification of the fluid energy spectrum, especially in the deep-dissipation range, a suppression of small-scale intermittency, and a decrease in small-scale vorticity filaments. We also compare our results with recent experiments and earlier DNS studies of decaying fluid turbulence with polymer additives.Comment: consistent with the published versio

Diagnostic performance of imaging investigations in detecting and differentiating cardiac amyloidosis: a systematic review and meta-analysis

AIMS: The study aims to systematically assess the diagnostic performance of cardiac magnetic resonance (CMR) and nuclear scintigraphy (index tests) for the diagnosis and differentiation of subtypes of cardiac amyloidosis. // METHODS AND RESULTS: MEDLINE and Embase electronic databases were searched for studies evaluating the diagnostic performance of CMR or nuclear scintigraphy in detecting cardiac amyloidosis and subsequently in differentiating transthyretin amyloidosis (ATTR) from immunoglobulin light-chain (AL) amyloidosis. In this meta-analysis, histopathological examination of tissue from endomyocardial biopsy (EMB) or extra-cardiac organs were reference standards. Pooled sensitivity, specificity, positive likelihood ratio, and negative likelihood ratio were calculated, and a random effects meta-analysis was used to estimate diagnostic odds ratios. Methodological quality was assessed using a validated instrument. Of the 2947 studies identified, 27 met the criteria for inclusion. Sensitivity and specificity of CMR in diagnosing cardiac amyloidosis was 85.7% and 92.0% against EMB reference and 78.9% and 93.9% with any organ histology reference. Corresponding sensitivity and specificity of nuclear scintigraphy was 88.4% and 87.2% against EMB reference and 82.0% and 98.8% with histology from any organ. CMR was unable to reliably differentiate ATTR from AL amyloidosis (sensitivity 28.1-99.0% and specificity 11.0-60.0%). Sensitivity and specificity of nuclear scintigraphy in the differentiation of ATTR from AL amyloidosis ranged from 90.9% to 91.5% and from 88.6% to 97.1%. Pooled negative likelihood ratio and positive likelihood ratio for scintigraphy in this setting were 0.1 and 8, with EMB reference standard. Study quality assessed by QUADAS-2 was generally poor with evidence of bias. // CONCLUSIONS: Cardiac magnetic resonance is a useful test for diagnosing cardiac amyloidosis but is not reliable in further classifying the disease. Nuclear scintigraphy offers strong diagnostic performance in both the detection of cardiac amyloidosis and differentiating ATTR from AL amyloidosis. Our findings support the use of both imaging modalities in a non-invasive diagnostic algorithm that also tests for the presence of monoclonal protein

The Polymer Stress Tensor in Turbulent Shear Flows

The interaction of polymers with turbulent shear flows is examined. We focus on the structure of the elastic stress tensor, which is proportional to the polymer conformation tensor. We examine this object in turbulent flows of increasing complexity. First is isotropic turbulence, then anisotropic (but homogenous) shear turbulence and finally wall bounded turbulence. The main result of this paper is that for all these flows the polymer stress tensor attains a universal structure in the limit of large Deborah number \De\gg 1. We present analytic results for the suppression of the coil-stretch transition at large Deborah numbers. Above the transition the turbulent velocity fluctuations are strongly correlated with the polymer's elongation: there appear high-quality "hydro-elastic" waves in which turbulent kinetic energy turns into polymer potential energy and vice versa. These waves determine the trace of the elastic stress tensor but practically do not modify its universal structure. We demonstrate that the influence of the polymers on the balance of energy and momentum can be accurately described by an effective polymer viscosity that is proportional to to the cross-stream component of the elastic stress tensor. This component is smaller than the stream-wise component by a factor proportional to \De ^2 . Finally we tie our results to wall bounded turbulence and clarify some puzzling facts observed in the problem of drag reduction by polymers.Comment: 11 p., 1 Fig., included, Phys. Rev. E., submitte

Reversible Capacity of Conductive Carbon Additives at Low Potentials: Caveats for Testing Alternative Anode Materials for Li-Ion Batteries

The electrochemical performance of alternative anode materials for Li-ion batteries is often measured using composite electrodes consisting of active material and conductive carbon additives. Cycling of these composite electrodes at low voltages demonstrates charge storage at the operating potentials of viable anodes, however, the conductive carbon additive is also able to store charge in the low potential regime. The contribution of the conductive carbon additives to the observed capacity is often neglected when interpreting the electrochemical performance of electrodes. To provide a reference for the contribution of the carbons to the observed capacity, we report the charge storage behavior of two common conductive carbon additives Super P and Ketjenblack as a function of voltage, rate, and electrolyte composition. Both carbons exhibit substantial capacities after 100 cycles, up to 150 mAh g^(−1), when cycled to 10 mV. The capacity is dependent on the discharge cutoff voltage and cycling rate with some dependence on electrolyte composition. The first few cycles are dominated by the formation of the SEI followed by a fade to a steady, reversible capacity thereafter. Neglecting the capacity of the carbon additive can lead to significant errors in the estimation of charge storage capabilities of the active material

Dynamics of threads and polymers in turbulence: power-law distributions and synchronization

We study the behavior of threads and polymers in a turbulent flow. These objects have finite spatial extension, so the flow along them differs slightly. The corresponding drag forces produce a finite average stretching and the thread is stretched most of the time. Nevertheless, the probability of shrinking fluctuations is significant and is known to decay only as a power-law. We show that the exponent of the power law is a universal number independent of the statistics of the flow. For polymers the coil-stretch transition exists: the flow must have a sufficiently large Lyapunov exponent to overcome the elastic resistance and stretch the polymer from the coiled state it takes otherwise. The probability of shrinking from the stretched state above the transition again obeys a power law but with a non-universal exponent. We show that well above the transition the exponent becomes universal and derive the corresponding expression. Furthermore, we demonstrate synchronization: the end-to-end distances of threads or polymers above the transition are synchronized by the flow and become identical. Thus, the transition from Newtonian to non-Newtonian behavior in dilute polymer solutions can be seen as an ordering transition.Comment: 13 pages, version accepted to Journal of Statistical Mechanic

Shell Model for Drag Reduction with Polymer Additive in Homogeneous Turbulence

Recent direct numerical simulations of the FENE-P model of non-Newtonian hydrodynamics revealed that the phenomenon of drag reduction by polymer additives exists (albeit in reduced form) also in homogeneous turbulence. We introduce here a simple shell model for homogeneous viscoelastic flows that recaptures the essential observations of the full simulations. The simplicity of the shell model allows us to offer a transparent explanation of the main observations. It is shown that the mechanism for drag reduction operates mainly on the large scales. Understanding the mechanism allows us to predict how the amount of drag reduction depends of the various parameters in the model. The main conclusion is that drag reduction is not a universal phenomenon, it peaks in a window of parameters like Reynolds number and the relaxation rate of the polymer

Stretching of polymers in a random three-dimensional flow

Behavior of a dilute polymer solution in a random three-dimensional flow with an average shear is studied experimentally. Polymer contribution to the shear stress is found to be more than two orders of magnitude higher than in a laminar shear flow. The results indicate that the polymer molecules get strongly stretched by the random motion of the fluid.Comment: 4 pages, 3 figure