Microscopic Diffusion Research Articles

Dynamic electro-thermal modeling of co-electrolysis of steam and carbon dioxide in a tubular solid oxide electrolysis cell

SOEC (Solid oxide electrolysis cell) has great potential to store unstable renewable energy in form of steady chemical energy. For this application, transient behavior in variable working condition is crucial. A 2D (two-dimensional) dynamic model was developed to predict the dynamic response of H2O/CO2 co-electrolysis in TSOEC (tubular solid oxide electrolysis cell). The dynamic model comprehensively considered the macroscopic fluid flow, microscopic diffusion, heat transfer and electrochemical/chemical reactions in the TSOEC. In this paper, the TNV (thermal neutral voltage) of TSOEC was specifically defined and calculated. The time constants of charge/mass/heat transport processes were evaluated. Further, the responses of current, gas concentrations, temperature, efficiency, conversions to electricity/gas flow/temperature step inputs were respectively studied. Through the study, appropriate transient operations were designed to improve efficiency and conversions.

Grid-based estimates of stellar ages in binary systems

We investigate the performance of grid-based techniques in estimating the age of stars in detached eclipsing binary systems. We evaluate the precision of the estimates due to the uncertainty in the observational constraints, and the systematic bias caused by the uncertainty in convective core overshooting, element diffusion, mixing-length value, and initial helium content. We adopted the SCEPtER grid, which includes stars with mass in the range [0.8; 1.6] Msun and evolutionary stages from the ZAMS to the central hydrogen depletion. Age estimates have been obtained by a generalisation of the technique described in our previous work. We showed that the typical 1 sigma random error in age estimates - due to the uncertainty on the observational constraints - is about +- 7%, which is nearly independent of the masses of the two stars. However, such an error strongly depends on the evolutionary phase and becomes larger and asymmetric for stars near the ZAMS where it ranges from about +90% to -25%. The systematic bias due to the including mild and strong convective core overshooting is about 50% and 120% of the error due to observational uncertainties. A variation of +- 1 in the helium-to-metal enrichment ratio accounts for about +- 150% of the random error. The neglect of microscopic diffusion accounts for a bias of about 60% of the random error. We also introduced a statistical test of the expected difference in the recovered age of two coeval stars in a binary system. We find that random fluctuations within the current observational uncertainties can lead genuine coeval binary components to appear to be non-coeval with a difference in age as high as 60%.

Site preference of alloying elements in DO22-Ni3V phase: Phase-field and first-principles study

Site preference of alloying elements in DO22-Ni3V phase was investigated using phase-field and first-principles method. The concentrations of alloying elements on sublattices of DO22-Ni3V phase were quantitatively studied using phase-field model based on microscopic diffusion equations. The phase-field computation results demonstrate that the concentration differences of alloying elements on the NiI and NiII site are attributed to the coordination environment difference. Host atoms Ni and substitutional ternary additions Al prefer to occupy NiI site. Antisite atoms V show site preference on the NiII site. Further reason of site preference of alloying elements on the two different Ni sites were studied using first-principles method to calculate the electronic structure of DO22-Ni3V phase. Calculation of density of states, orbitals population and charge population of the optimized Ni3V structure found that the electronic structures of NiI and NiII sites are different. Electronic structure difference, which is caused by coordination environment difference, is the essential reason for site selectivity behaviors of alloying elements on NiI and NiII sites.

Vector Field Visualization of Advective‐Diffusive Flows

AbstractWe propose a framework for unified visualization of advective and diffusive concentration fluxes, which play a key role in many phenomena like, e.g. Marangoni convection and microscopic mixing. The main idea is the decomposition of fluxes into their concentration and velocity parts. Using this flux decomposition, we are able to convey advective‐diffusive concentration transport using integral lines. In order to visualize superimposed flux effects, we introduce a new graphical metaphor, the stream feather, which adds extensions to stream tubes pointing in the directions of deviating fluxes. The resulting unified visualization of macroscopic advection and microscopic diffusion allows for deeper insight into complex flow scenarios that cannot be achieved with current volume and surface rendering techniques alone.Our approach for flux decomposition and visualization of advective‐diffusive flows can be applied to any kind of (simulation) data if velocity and concentration data are available. We demonstrate that our techniques can easily be integrated into Smoothed Particle Hydrodynamics (SPH) based simulations.

Quantitative mapping of the per-axon diffusion coefficients in brain white matter.

PurposeThis article presents a simple method for estimating the effective diffusion coefficients parallel and perpendicular to the axons unconfounded by the intravoxel fiber orientation distribution. We also call these parameters the per‐axon or microscopic diffusion coefficients.Theory and MethodsDiffusion MR imaging is used to probe the underlying tissue material. The key observation is that for a fixed b‐value the spherical mean of the diffusion signal over the gradient directions does not depend on the axon orientation distribution. By exploiting this invariance property, we propose a simple, fast, and robust estimator of the per‐axon diffusion coefficients, which we refer to as the spherical mean technique.ResultsWe demonstrate quantitative maps of the axon‐scale diffusion process, which has factored out the effects due to fiber dispersion and crossing, in human brain white matter. These microscopic diffusion coefficients are estimated in vivo using a widely available off‐the‐shelf pulse sequence featuring multiple b‐shells and high‐angular gradient resolution.ConclusionThe estimation of the per‐axon diffusion coefficients is essential for the accurate recovery of the fiber orientation distribution. In addition, the spherical mean technique enables us to discriminate microscopic tissue features from fiber dispersion, which potentially improves the sensitivity and/or specificity to various neurological conditions. Magn Reson Med, 2015. Magn Reson Med 75:1752–1763, 2016. © 2015 The Authors. Magnetic Resonance in Medicine published by Wiley Periodicals, Inc.

On the age of Galactic bulge microlensed dwarf and subgiant stars

Recent results by Bensby and collaborators on the ages of microlensed stars in the Galactic bulge have challenged the picture of an exclusively old stellar population. However, these age estimates have not been independently confirmed. In this paper we verify these results by means of a grid-based method and quantify the systematic biases that might be induced by some assumptions adopted to compute stellar models. We explore the impact of increasing the initial helium abundance, neglecting the element microscopic diffusion, and changing the mixing-length calibration in theoretical stellar track computations. We adopt the SCEPtER pipeline with a novel stellar model grid for metallicities [Fe/H] from -2.00 to 0.55 dex, and masses in the range [0.60; 1.60] Msun from the ZAMS to the helium flash at the red giant branch tip. We show for the considered evolutionary phases that our technique provides unbiased age estimates. Our age results are in good agreement with Bensby and collaborators findings and show 16 stars younger than 5 Gyr and 28 younger than 9 Gyr over a sample of 58. The effect of a helium enhancement as large as Delta Y/Delta Z = 5 is quite modest, resulting in a mean age increase of metal rich stars of 0.6 Gyr. Even simultaneously adopting a high helium content and the upper values of age estimates, there is evidence of 4 stars younger than 5 Gyr and 15 younger than 9 Gyr. For stars younger than 5 Gyr, the use of stellar models computed by neglecting microscopic diffusion or by assuming a super-solar mixing-length value leads to a mean increase in the age estimates of about 0.4 Gyr and 0.5 Gyr respectively. Even considering the upper values for the age estimates, there are four stars estimated younger than 5 Gyr is in both cases. Thus, the assessment of a sizeable fraction of young stars among the microlensed sample in the Galactic bulge appears robust.

NMR diffusion-encoding with axial symmetry and variable anisotropy: Distinguishing between prolate and oblate microscopic diffusion tensors with unknown orientation distribution.

We introduce a nuclear magnetic resonance method for quantifying the shape of axially symmetric microscopic diffusion tensors in terms of a new diffusion anisotropy metric, DΔ, which has unique values for oblate, spherical, and prolate tensor shapes. The pulse sequence includes a series of equal-amplitude magnetic field gradient pulse pairs, the directions of which are tailored to give an axially symmetric diffusion-encoding tensor b with variable anisotropy bΔ. Averaging of data acquired for a range of orientations of the symmetry axis of the tensor b renders the method insensitive to the orientation distribution function of the microscopic diffusion tensors. Proof-of-principle experiments are performed on water in polydomain lyotropic liquid crystals with geometries that give rise to microscopic diffusion tensors with oblate, spherical, and prolate shapes. The method could be useful for characterizing the geometry of fluid-filled compartments in porous solids, soft matter, and biological tissues.

Microscopic thermal diffusivity measurements of ceramic and metallic foams lumps in temperature

This paper presents temperature dependent thermal diffusivity measurements of NiCrAl and mullite foam solid skeletons. The photoreflectance microscopy (PM) technique is used to characterize these skeletons at the microscopic scale. The characterized homogeneous zone area does not exceed 100 μm2. A singular sample preparation has been realized to take into account the brittleness and the optical semi-transparency of the mullite foam lumps. This specific sample preparation as well as the details of the technique are described in this article.

Small Change—Great Effect: Steep Increase of Li Ion Dynamics in Li4Ti5O12 at the Early Stages of Chemical Li Insertion

Lithium titanate (LTO) is one of the most promising anode materials for large-scale stationary electrochemical storage of energy produced from renewable sources. Besides many other aspects, such as negligible formation of passivation layers and no volume expansion during lithiation, the success of LTO is mainly based on its ability to easily accommodate and release Li ions in a fully reversible way. This feature is tightly connected with Li self-diffusion. As yet, little information is available about microscopic Li diffusion properties and elementary steps of Li hopping at low intercalation levels, i.e., at values of x being significantly smaller than 1. Here, we used 7Li spin-locking NMR relaxometry to probe absolute hopping rates of LTO (homogeneous) solid solutions in quasi-thermodynamic equilibrium. As a result, the largest increase of Li diffusivity is observed when small amounts of Li are inserted. Strong Coulomb repulsions caused by the simultaneous occupation of neighboring 8a and 16c sites serve as an explanation for the enhanced Li diffusivity found. At even larger values of x, Li mobility slows down but is still much faster than in the host material with x = 0. Our results experimentally corroborate the outcome of recently published calculations on the DFT level focusing on both dynamic and structural aspects. The findings favor the formation of LTO solid solutions upon chemical lithiation; the steep increase in Li diffusivity found might also help with understanding the flat insertion potential observed.

Nonlinear spin diffusion and spin rotation in a trapped Fermi gas

Transverse spin diffusion in a polarized, interacting Fermi gas leads to the Leggett-Rice effect, where the spin current precesses around the local magnetization. With a spin-echo sequence both the transverse diffusivity and the spin-rotation parameter $\ensuremath{\gamma}$ are obtained; the sign of $\ensuremath{\gamma}$ reveals the repulsive or attractive character of the effective interaction. In a trapped Fermi gas the spin diffusion equations become nonlinear, and their numerical solution exhibits an inhomogeneous spin state even at the spin-echo time. While the microscopic diffusivity and $\ensuremath{\gamma}$ increase at weak coupling, their apparent values inferred from the trap-averaged magnetization saturate in agreement with a recent experiment for a dilute ultracold Fermi gas.

Uncertainties in asteroseismic grid-based estimates of stellar ages

We study the impact on stellar age determination by means of grid-based techniques adopting asteroseismic constraints of the uncertainty in the radiative opacity, in the initial helium abundance, in the mixing-length value, in the convective core overshooting, and in the microscopic diffusion efficiency adopted in stellar model computations. We extended our SCEPtER grid (Valle et al. 2014) to include stars with mass in the range [0.8; 1.6] Msun and evolutionary stages from the ZAMS to the central hydrogen depletion. The current typical uncertainty in the observations accounts for 1 sigma statistical relative error in age determination which in mean ranges from about -35% to +42%, depending on the mass. However, due to the strong dependence on the evolutionary phase, the age relative error can be higher than 120% for stars near the ZAMS, while it is typically of the order of 20% or lower in the advanced main-sequence phase. The systematic bias on age determination due to a variation of $\pm$ 1 in the helium-to-metal enrichment ratio Delta Y/Delta Z is about one-forth of the statistical error in the first 30% of the evolution while it is negligible for more evolved stages. The maximum bias due to the presence of the convective core overshooting is of -7% and -13% for mild and strong overshooting scenarios. For all the examined models the impact of a variation of $\pm$ 5 in the radiative opacity was found to be negligible. The most important source of bias are the uncertainty in the mixing-length value alpha_ml and the neglect of microscopic diffusion. Each of these effects accounts for a bias which is nearly equal to the random error uncertainty. Comparison of the results of our technique with other grid techniques on a set of common stars showed a general agreement. However, the adoption of a different grid can account for a variation in the mean estimated age up to 1 Gyr.

A Fully Nonlinear Compact Modeling Approach for High-Frequency Noise in Large-Signal Operated Microwave Electron Devices

A technology-independent, inherently nonlinear approach is proposed for the compact modelling of high-frequency noise in microwave transistors under large-signal operating conditions. For the compact nonlinear noise model formulation we assume that noise generation can be described by a suitable set of distributed stochastic processes perturbing a very general, non-quasi-static deterministic description of the electron device, in accordance with the strategies adopted in physics-based methods for the choice and exploitation of microscopic diffusion noise sources. The propagation of the internal distributed noise sources up to the intrinsic device terminals leads to a set of non-stationary, correlated equivalent noise generators, nonlinearly controlled by the instantaneous large-signal working point of the device. Starting from a first formulation for the generators, formally derived from a physics-based description of the noise generation mechanisms widely adopted in distributed numerical modeling, mild approximations provide a fully behavioral representation that can be empirically extracted on the basis of measurement data only, and can be easily implemented into commercial computer-aided design tools by means of conventional, uncorrelated noise sources. As far as small-signal (i.e., linear) bias-dependent operation is concerned, it is shown how well-known, widely applied compact models for high-frequency noise can be considered as linearized special cases of the proposed approach. For a full validation, experimental examples are provided, both in small- and large-signal operation, for a GaAs-pHEMT, by considering the case study of a broad-band low-noise amplifier progressively driven into nonlinear regime by an increasing power interferer.

Dynamics of Robertson–Walker spacetimes with diffusion

We study the dynamics of spatially homogeneous and isotropic spacetimes containing a fluid undergoing microscopic velocity diffusion in a cosmological scalar field. After deriving a few exact solutions of the equations, we continue by analyzing the qualitative behavior of general solutions. To this purpose we recast the equations in the form of a two dimensional dynamical system and perform a global analysis of the flow. Among the admissible behaviors, we find solutions that are asymptotically de-Sitter both in the past and future time directions and which undergo accelerated expansion at all times.

Microscopic diffusion anisotropy in the human brain: Reproducibility, normal values, and comparison with the fractional anisotropy

Human neuroimaging of tissue microstructure, such as axonal density and integrity, is key in clinical and neuroscience research. Most studies rely on diffusion tensor imaging (DTI) and the measures derived from it, most prominently fractional anisotropy (FA). However, FA also depends on fiber orientation distribution, a more macroscopic tissue property. Recently introduced measures of so-called microscopic diffusion anisotropy, diffusion anisotropy on a cellular or microscopic level, overcome this limitation because they are independent of the orientation distributions of axons and fibers. In this study, we evaluate the feasibility of two measures of microscopic diffusion anisotropy IMA and MA indices, for human neuroscience and clinical research. Both indices reflect the eccentricity of the cells but while IMA also depends on the cell size, MA is independent of the cell size and, like FA, scaled between 0 and 1. In whole-brain measurements of a group of 19 healthy volunteers, we measured average values and variability, evaluated their reproducibility, both within and between sessions, and compared MA to FA values in selected regions-of-interest (ROIs). The within- and between-session comparison did not show substantial differences but the reproducibility was much better for the MA than IMA (coefficient of variation between sessions 10.5% vs. 28.9%). The reproducibility was less for MA than FA overall, but comparable in the defined ROIs and the average group sizes required for between-group comparisons was similar (about 60 participants for a relative difference of 5%). Group-averaged values of MA index were generally larger and showed less variation across white-matter brain ROIs than FA (mean±standard deviation of seven ROIs 0.83±0.10 vs. 0.58±0.13). Even in some gray-matter ROIs, MA values comparable to those of white matter ROIs were observed. Furthermore, the within-group variation of the values in white matter ROIs was lower for the MA compared to the FA (mean standard deviation over volunteers 0.038 vs. 0.049) which could be due to significant variability in the distribution of fiber orientation contributing to FA. These results indicate that MA (i) should be preferred to IMA, (ii) has a reproducibility and group-size requirements comparable to those of FA; (iii) is less sensitive to the fiber orientation distribution than FA; and (iv) could be more sensitive to differences or changes of the tissue microstructure than FA. R1.1

Atomic Structure and Diffusion Properties of Liquid Cu<sub>4</sub><sub>5</sub>Zr<sub>4</sub><sub>8</sub>Al<sub>7</sub> Metallic Glasses

The microscopic structure and diffusion of liquid Cu45Zr48Al7 alloys were investigated by means of molecular dynamics simulations. We obtain the structure and diffusion properties including partial pair-correlation function, and Voronoi indices and the time-dependent mean-square displacement (MSD). We found that the icosahedra and the distorted icosahedra around Cu, Zr and Al are differentthe and the atom moves quickly Zr, Cu and Al in the order.

Quantification of microscopic anisotropy with diffusion MRI

Quantification of microscopic anisotropy with diffusion MRI

Microscopic diffusion properties of fixed breast tissue: Preliminary findings.

To investigate the microscopic diffusion properties of formalin-fixed breast tissue. Diffusion microimaging was performed at 16.4T with 40-μm isotropic voxels on two normal and two cancer tissue samples from four patients. Results were correlated with histology of the samples. Diffusion-weighted images and mean diffusivity maps demonstrated distinct diffusivity differences between breast tissue components. Mean diffusivity (MD) in normal tissue was 0.59 ± 0.24 μm(2) /ms for gland lobule (voxels containing epithelium and intralobular stroma) and 1.23 ± 0.34 μm(2) /ms for interlobular fibrous stroma. In the cancer samples, MD = 0.45 ± 0.23 μm(2) /ms for invasive ductal carcinoma (voxels contain epithelium and intralobular stroma) and 0.61 ± 0.35 μm(2) /ms for ductal carcinoma in situ. There were significant MD differences between all tissue components (P < 0.005), except between gland lobule and ductal carcinoma in situ (P = 0.71). The low diffusivity of epithelium-rich cancer tissue and of normal epithelium relative to its supporting fibrous stroma was similar to that reported for prostate tissue and the esophageal wall. Diffusion microimaging demonstrates distinct diffusivity differences between breast tissue glandular structures. Low diffusivity may be a distinctive feature of mammalian epithelia.

Topical delivery of acetyl hexapeptide-8 from different emulsions: Influence of emulsion composition and internal structure

Acetyl hexapeptide-8 (AH-8) is a well-known component of anti-aging products and was recently explored as a promising topical treatment of blepharospasm. Although AH-8 appears in a variety of cosmetic products, its skin penetration is sparsely studied and controversially discussed. Therefore, the aim of the present study was to investigate the influence of the vehicle type on the AH-8 delivery to the skin. Besides skin permeation experiments with Franz type diffusion cells, the spatial distribution of AH-8 in the stratum corneum after a real in-use application was investigated by in vitro tape stripping on porcine ear skin. By applying LC–MS/MS for quantification of AH-8, we demonstrated that a multiple water-in-oil-in-water (W/O/W) emulsion can significantly increase penetration of AH-8 into porcine skin compared to simple O/W and W/O emulsions. The internal structure of the developed multiple emulsion was confirmed by electron microscopic investigations and NMR self diffusion studies. In general, a clear superiority of water-rich W/O/W and O/W emulsions over an oil-rich W/O emulsion in terms of dermal delivery of AH-8 was found. This enhanced delivery of AH-8 could be explained by an increased absorption of the water-rich emulsions into the skin, confirmed by combined ATR-FTIR and tape stripping experiments.

A beneficiary role for neuraminidase in influenza virus penetration through the respiratory mucus.

Swine influenza virus (SIV) has a strong tropism for pig respiratory mucosa, which consists of a mucus layer, epithelium, basement membrane and lamina propria. Sialic acids present on the epithelial surface have long been considered to be determinants of influenza virus tropism. However, mucus which is also rich in sialic acids may serve as the first barrier of selection. It was investigated how influenza virus interacts with the mucus to infect epithelial cells. Two techniques were applied to track SIV H1N1 in porcine mucus. The microscopic diffusion of SIV particles in the mucus was analyzed by single particle tracking (SPT), and the macroscopic penetration of SIV through mucus was studied by a virus in-capsule-mucus penetration system, followed by visualizing the translocation of the virions with time by immunofluorescence staining. Furthermore, the effects of neuraminidase on SIV getting through or binding to the mucus were studied by using zanamivir, a neuraminidase inhibitor (NAI), and Arthrobacter ureafaciens neuraminidase. The distribution of the diffusion coefficient shows that 70% of SIV particles were entrapped, while the rest diffused freely in the mucus. Additionally, SIV penetrated the porcine mucus with time, reaching a depth of 65 µm at 30 min post virus addition, 2 fold of that at 2 min. Both the microscopic diffusion and macroscopic penetration were largely diminished by NAI, while were clearly increased by the effect of exogenous neuraminidase. Moreover, the exogenous neuraminidase sufficiently prevented the binding of SIV to mucus which was reversely enhanced by effect of NAI. These findings clearly show that the neuraminidase helps SIV move through the mucus, which is important for the virus to reach and infect epithelial cells and eventually become shed into the lumen of the respiratory tract.

Quantification of microscopic diffusion anisotropy disentangles effects of orientation dispersion from microstructure: Applications in healthy volunteers and in brain tumors

The anisotropy of water diffusion in brain tissue is affected by both disease and development. This change can be detected using diffusion MRI and is often quantified by the fractional anisotropy (FA) derived from diffusion tensor imaging (DTI). Although FA is sensitive to anisotropic cell structures, such as axons, it is also sensitive to their orientation dispersion. This is a major limitation to the use of FA as a biomarker for “tissue integrity”, especially in regions of complex microarchitecture. In this work, we seek to circumvent this limitation by disentangling the effects of microscopic diffusion anisotropy from the orientation dispersion.The microscopic fractional anisotropy (μFA) and the order parameter (OP) were calculated from the contrast between signal prepared with directional and isotropic diffusion encoding, where the latter was achieved by magic angle spinning of the q-vector (qMAS). These parameters were quantified in healthy volunteers and in two patients; one patient with meningioma and one with glioblastoma. Finally, we used simulations to elucidate the relation between FA and μFA in various micro-architectures.Generally, μFA was high in the white matter and low in the gray matter. In the white matter, the largest differences between μFA and FA were found in crossing white matter and in interfaces between large white matter tracts, where μFA was high while FA was low. Both tumor types exhibited a low FA, in contrast to the μFA which was high in the meningioma and low in the glioblastoma, indicating that the meningioma contained disordered anisotropic structures, while the glioblastoma did not. This interpretation was confirmed by histological examination.We conclude that FA from DTI reflects both the amount of diffusion anisotropy and orientation dispersion. We suggest that the μFA and OP may complement FA by independently quantifying the microscopic anisotropy and the level of orientation coherence.