Diffusion length measurement using the scanning electron microscope. [for silicon solar cell

NASA Technical Reports Server (NTRS)

Weizer, V. G.

1975-01-01

The present work describes a measuring technique employing the scanning electron microscope in which values of the true bulk diffusion length are obtained. It is shown that surface recombination effects can be eliminated through application of highly doped surface field layers. The effects of high injection level and low-high junction current generation are investigated. Results obtained with this technique are compared to those obtained by a penetrating radiation (X-ray) method, and a close agreement is found. The SEM technique is limited to cells that contain a back surface field layer.

Measurement of the minority carrier diffusion length and edge surface-recombination velocity in InP

NASA Technical Reports Server (NTRS)

Bailey, Sheila G.; Hakimzadeh, Roshanak

1993-01-01

A scanning electron microscope (SEM) was used to measure the electron (minority carrier) diffusion length (L(sub n)) and the edge surface-recombination velocity (V(sub s)) in zinc-doped Czochralski-grown InP wafers. Electron-beam-induced current (EBIC) profiles were obtained in specimens containing a Schottky barrier perpendicular to the scanned (edge) surface. An independent technique was used to measure V(sub s), and these values were used in a theoretical expression for normalized EBIC. A fit of the experimental data with this expression enabled us to determine L(sub n).

Polymer diffusion in the interphase between surface and solution.

PubMed

Weger, Lukas; Weidmann, Monika; Ali, Wael; Hildebrandt, Marcus; Gutmann, Jochen Stefan; Hoffmann-Jacobsen, Kerstin

2018-05-22

Total internal reflection fluorescence correlation spectroscopy (TIR-FCS) is applied to study the self-diffusion of polyethylene glycol solutions in the presence of weakly attractive interfaces. Glass coverslips modified with aminopropyl- and propyl-terminated silanes are used to study the influence of solid surfaces on polymer diffusion. A model of three phases of polymer diffusion allows to describe the experimental fluorescence autocorrelation functions. Besides the two-dimensional diffusion of adsorbed polymer on the substrate and three-dimensional free diffusion in bulk solution, a third diffusion time scale is observed with intermediate diffusion times. This retarded three-dimensional diffusion in solution is assigned to long range effects of solid surfaces on diffusional dynamics of polymers. The respective diffusion constants show Rouse scaling (D~N -1 ) indicating a screening of hydrodynamic interactions by the presence of the surface. Hence, the presented TIR-FCS method proves to be a valuable tool to investigate the effect of surfaces on polymer diffusion beyond the first adsorbed polymer layer on the 100 nm length scale.

Dynamics of two-dimensional monolayer water confined in hydrophobic and charged environments.

PubMed

Kumar, Pradeep; Han, Sungho

2012-09-21

We perform molecular dynamics simulations to study the effect of charged surfaces on the intermediate and long time dynamics of water in nanoconfinements. Here, we use the transferable interaction potential with five points (TIP5P) model of a water molecule confined in both hydrophobic and charged surfaces. For a single molecular layer of water between the surfaces, we find that the temperature dependence of the lateral diffusion constant of water up to very high temperatures remains Arrhenius with a high activation energy. In case of charged surfaces, however, the dynamics of water in the intermediate time regime is drastically modified presumably due to the transient coupling of dipoles of water molecules with electric field fluctuations induced by charges on the confining surfaces. Specifically, the lateral mean square displacements display a distinct super-diffusive behavior at intermediate time scale, defined as the time scale between ballistic and diffusive regimes. This change in the intermediate time-scale dynamics in the charged confinement leads to the enhancement of long-time dynamics as reflected in increasing diffusion constant. We introduce a simple model for a possible explanation of the super-diffusive behavior and find it to be in good agreement with our simulation results. Furthermore, we find that confinement and the surface polarity enhance the low frequency vibration in confinement compared to bulk water. By introducing a new effective length scale of coupling between translational and orientational motions, we find that the length scale increases with the increasing strength of the surface polarity. Further, we calculate the correlation between the diffusion constant and the excess entropy and find a disordering effect of polar surfaces on the structure of water. Finally, we find that the empirical relation between the diffusion constant and the excess entropy holds for a monolayer of water in nanoconfinement.

Analysis of diffusion in curved surfaces and its application to tubular membranes

PubMed Central

Klaus, Colin James Stockdale; Raghunathan, Krishnan; DiBenedetto, Emmanuele; Kenworthy, Anne K.

2016-01-01

Diffusion of particles in curved surfaces is inherently complex compared with diffusion in a flat membrane, owing to the nonplanarity of the surface. The consequence of such nonplanar geometry on diffusion is poorly understood but is highly relevant in the case of cell membranes, which often adopt complex geometries. To address this question, we developed a new finite element approach to model diffusion on curved membrane surfaces based on solutions to Fick’s law of diffusion and used this to study the effects of geometry on the entry of surface-bound particles into tubules by diffusion. We show that variations in tubule radius and length can distinctly alter diffusion gradients in tubules over biologically relevant timescales. In addition, we show that tubular structures tend to retain concentration gradients for a longer time compared with a comparable flat surface. These findings indicate that sorting of particles along the surfaces of tubules can arise simply as a geometric consequence of the curvature without any specific contribution from the membrane environment. Our studies provide a framework for modeling diffusion in curved surfaces and suggest that biological regulation can emerge purely from membrane geometry. PMID:27733625

Surface recombination velocity and diffusion length of minority carriers in heavily doped silicon layers

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Watanabe, M.; Actor, G.

1977-01-01

Quantitative analysis of the electron beam-induced current and the dependence of the effective diffusion length of the minority carriers on the penetration depth of the electron beam were employed for the analysis of the carrier recombination characteristics in heavily doped silicon layers. The analysis is based on the concept of the effective excitation strength of the carriers which takes into consideration all possible recombination sources. Two dimensional mapping of the surface recombination velocity of P-diffused Si layers will be presented together with a three dimensional mapping of minority carrier lifetime in ion implanted Si. Layers heavily doped with As exhibit improved recombination characteristics as compared to those of the layers doped with P.

Comparison of Three E-Beam Techniques for Electric Field Imaging and Carrier Diffusion Length Measurement on the Same Nanowires.

PubMed

Donatini, F; de Luna Bugallo, Andres; Tchoulfian, Pierre; Chicot, Gauthier; Sartel, Corinne; Sallet, Vincent; Pernot, Julien

2016-05-11

Whereas nanowire (NW)-based devices offer numerous advantages compared to bulk ones, their performances are frequently limited by an incomplete understanding of their properties where surface effect should be carefully considered. Here, we demonstrate the ability to spatially map the electric field and determine the exciton diffusion length in NW by using an electron beam as the single excitation source. This approach is performed on numerous single ZnO NW Schottky diodes whose NW radius vary from 42.5 to 175 nm. The dominant impact of the surface on the NW properties is revealed through the comparison of three different physical quantities recorded on the same NW: electron-beam induced current, cathodoluminescence, and secondary electron signal. Indeed, the space charge region near the Schottky contact exhibits an unusual linear variation with reverse bias whatever the NW radius. On the contrary, the exciton diffusion length is shown to be controlled by the NW radius through surface recombination. This systematic comparison performed on a single ZnO NW demonstrates the power of these complementary techniques in understanding NW properties.

Determination of lifetimes and recombination currents in p-n junction solar cells, diodes, and transistors

NASA Technical Reports Server (NTRS)

Neugroschel, A.

1981-01-01

New methods are presented and illustrated that enable the accurate determination of the diffusion length of minority carriers in the narrow regions of a solar cell or a diode. Other methods now available are inaccurate for the desired case in which the width of the region is less than the diffusion length. Once the diffusion length is determined by the new methods, this result can be combined with measured dark I-V characteristics and with small-signal admittance characteristics to enable determination of the recombination currents in each quasi-neutral region of the cell - for example, in the emitter, low-doped base, and high-doped base regions of the BSF (back-surface-field) cell. This approach leads to values for the effective surface recombination velocity of the high-low junction forming the back-surface field of BSF cells or the high-low emitter junction of HLE cells. These methods are also applicable for measuring the minority-carrier lifetime in thin epitaxial layers grown on substrates with opposite conductivity type.

A theory of growing crystalline nanorods - Mode I

NASA Astrophysics Data System (ADS)

Du, Feng; Huang, Hanchen

2018-08-01

Nanorods grow in two possible modes during physical vapor deposition (PVD). In mode I, monolayer surface steps dictate the diameter of nanorods. In mode II, multiple-layer surface steps dictate the diameter, which is the smallest possible under physical vapor deposition [5,10]. This paper reports closed-form theories of terrace lengths and nanorod diameter during the growth in mode I, as a function of deposition conditions. The accompanying lattice kinetic Monte Carlo simulations verify these theories. This study reveals that (1) quasi-steady growth exists for each set of nanorod growth conditions, and (2) the characteristic length scales, including terrace lengths and nanorod diameter at the quasi-steady state, depend on the deposition conditions - deposition rate F, substrate temperature T, and incidence angle θ - only as a function of l2D/tan θ, with l2 D = 2(v2 D/Fcosθ) 1/3 as a diffusion-limited length scale and v2D as the atomic diffusion jump rate over monolayer surface steps.

Comparison of diffusion length measurements from the Flying Spot Technique and the photocarrier grating method in amorphous thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vieira, M.; Fantoni, A.; Martins, R.

1994-12-31

Using the Flying Spot Technique (FST) the authors have studied minority carrier transport parallel and perpendicular to the surface of amorphous silicon films (a-Si:H). To reduce slow transients due to charge redistribution in low resistivity regions during the measurement they have applied a strong homogeneously absorbed bias light. The defect density was estimated from Constant Photocurrent Method (CPM) measurements. The steady-state photocarrier grating technique (SSPG) is a 1-dimensional approach. However, the modulation depth of the carrier profile is also dependent on film surface properties, like surface recombination velocity. Both methods yield comparable diffusion lengths when applied to a-Si:H.

Diffusion length measurements in bulk and epitaxially grown 3-5 semiconductors using charge collection microscopy

NASA Technical Reports Server (NTRS)

Leon, R. P.

1987-01-01

Diffusion lengths and surface recombination velocities were measured in GaAs diodes and InP finished solar cells. The basic techniques used was charge collection microscopy also known as electron beam induced current (EBIC). The normalized currents and distances from the pn junction were read directly from the calibrated curves obtained while using the line scan mode in an SEM. These values were then equated to integral and infinite series expressions resulting from the solution of the diffusion equation with both extended generation and point generation functions. This expands previous work by examining both thin and thick samples. The surface recombination velocity was either treated as an unknown in a system of two equations, or measured directly using low e(-) beam accelerating voltages. These techniques give accurate results by accounting for the effects of surface recombination and the finite size of the generation volume.

Surface diffusion effects on growth of nanowires by chemical beam epitaxy

NASA Astrophysics Data System (ADS)

Persson, A. I.; Fröberg, L. E.; Jeppesen, S.; Björk, M. T.; Samuelson, L.

2007-02-01

Surface processes play a large role in the growth of semiconductor nanowires by chemical beam epitaxy. In particular, for III-V nanowires the surface diffusion of group-III species is important to understand in order to control the nanowire growth. In this paper, we have grown InAs-based nanowires positioned by electron beam lithography and have investigated the dependence of the diffusion of In species on temperature, group-III and -V source pressure and group-V source combinations by measuring nanowire growth rate for different nanowire spacings. We present a model which relates the nanowire growth rate to the migration length of In species. The model is fitted to the experimental data for different growth conditions, using the migration length as fitting parameter. The results show that the migration length increases with decreasing temperature and increasing group-V/group-III source pressure ratio. This will most often lead to an increase in growth rate, but deviations will occur due to incomplete decomposition and changes in sticking coefficient for group-III species. The results also show that the introduction of phosphorous precursor for growth of InAs1-xPx nanowires decreases the migration length of the In species followed by a decrease in nanowire growth rate.

Measuring charge carrier diffusion in coupled colloidal quantum dot solids.

PubMed

Zhitomirsky, David; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H

2013-06-25

Colloidal quantum dots (CQDs) are attractive materials for inexpensive, room-temperature-, and solution-processed optoelectronic devices. A high carrier diffusion length is desirable for many CQD device applications. In this work we develop two new experimental methods to investigate charge carrier diffusion in coupled CQD solids under charge-neutral, i.e., undepleted, conditions. The methods take advantage of the quantum-size-effect tunability of our materials, utilizing a smaller-bandgap population of quantum dots as a reporter system. We develop analytical models of diffusion in 1D and 3D structures that allow direct extraction of diffusion length from convenient parametric plots and purely optical measurements. We measure several CQD solids fabricated using a number of distinct methods and having significantly different doping and surface ligand treatments. We find that CQD materials recently reported to achieve a certified power conversion efficiency of 7% with hybrid organic-inorganic passivation have a diffusion length of 80 ± 10 nm. The model further allows us to extract the lifetime, trap density, mobility, and diffusion coefficient independently in each material system. This work will facilitate further progress in extending the diffusion length, ultimately leading to high-quality CQD solid semiconducting materials and improved CQD optoelectronic devices, including CQD solar cells.

Thirty years since diffuse sound reflection by maximum length

NASA Astrophysics Data System (ADS)

Cox, Trevor J.; D'Antonio, Peter

2005-09-01

This year celebrates the 30th anniversary of Schroeder's seminal paper on sound scattering from maximum length sequences. This paper, along with Schroeder's subsequent publication on quadratic residue diffusers, broke new ground, because they contained simple recipes for designing diffusers with known acoustic performance. So, what has happened in the intervening years? As with most areas of engineering, the room acoustic diffuser has been greatly influenced by the rise of digital computing technologies. Numerical methods have become much more powerful, and this has enabled predictions of surface scattering to greater accuracy and for larger scale surfaces than previously possible. Architecture has also gone through a revolution where the forms of buildings have become more extreme and sculptural. Acoustic diffuser designs have had to keep pace with this to produce shapes and forms that are desirable to architects. To achieve this, design methodologies have moved away from Schroeder's simple equations to brute force optimization algorithms. This paper will look back at the past development of the modern diffuser, explaining how the principles of diffuser design have been devised and revised over the decades. The paper will also look at the present state-of-the art, and dreams for the future.

Length distributions of nanowires: Effects of surface diffusion versus nucleation delay

NASA Astrophysics Data System (ADS)

Dubrovskii, Vladimir G.

2017-04-01

It is often thought that the ensembles of semiconductor nanowires are uniform in length due to the initial organization of the growth seeds such as lithographically defined droplets or holes in the substrate. However, several recent works have already demonstrated that most nanowire length distributions are broader than Poissonian. Herein, we consider theoretically the length distributions of non-interacting nanowires that grow by the material collection from the entire length of their sidewalls and with a delay of nucleation of the very first nanowire monolayer. The obtained analytic length distribution is controlled by two parameters that describe the strength of surface diffusion and the nanowire nucleation rate. We show how the distribution changes from the symmetrical Polya shape without the nucleation delay to a much broader and asymmetrical one for longer delays. In the continuum limit (for tall enough nanowires), the length distribution is given by a power law times an incomplete gamma-function. We discuss interesting scaling properties of this solution and give a recipe for analyzing and tailoring the experimental length histograms of nanowires which should work for a wide range of material systems and growth conditions.

Photonic Devices Based on Surface and Composition-Engineered Infrared Colloidal Nanocrystals

DTIC Science & Technology

2012-01-27

NQD/P3HT solar cells , the need for submicron-phase-separated polymer-NQD blends is therefore expressed by the limiting exciton diffusion length ...P3HT:PbSe are very critical in designing the PM-HJ solar cells : The thickness of P3HT should approximate to the thickness of exciton diffuse length in... cells , luminescent solar concentrators, light emitting diodes, lasers, photonic crystals, CdSe, PbSe, Germanium Jian Xu Pennsylvania State University

Using tobacco mosaic virus to probe enhanced surface diffusion of molecular glasses.

PubMed

Zhang, Yue; Potter, Richard; Zhang, William; Fakhraai, Zahra

2016-11-09

Recent studies have shown that diffusion on the surface of organic glasses can be many orders of magnitude faster than bulk diffusion. Developing new probes that can readily measure surface diffusion can help study the effect of parameters such as chemical structure, intermolecular interaction, molecules' shape and size on the enhanced surface diffusion. In this study, we develop a novel probe that significantly simplifies these types of studies. Tobacco mosaic virus (TMV) is used as probe particle to measure surface diffusion coefficient of molecular glass N,N'-bis(3-methylphenyl)-N,N'-diphenylbenzidine (TPD). The evolution of the meniscus formed around TMV is probed as a function of time at various temperatures. TMV has a well-defined, mono-dispersed, cylindrical shape, with a large aspect-ratio (average diameter of 16.6 nm, length of 300 nm). As such, the shape of the meniscus around the center of TMV is semi-two dimensional, which compared to using a nanosphere as probe, increases the driving force for meniscus formation and simplifies the analysis of surface diffusion. We show that under these conditions, after a short transient time the shape of the meniscus is self-similar, allowing accurate determination of the surface diffusion coefficient. Measurements at various temperatures are then performed to investigate the temperature dependence of the surface diffusion coefficient. It is found that surface diffusion is greatly enhanced in TPD and has a lower activation barrier compared to the bulk counterpart. These observations are consistent with previous studies of surface diffusion on molecular glasses, demonstrating the accuracy of this method.

Excitation-dependent carrier lifetime and diffusion length in bulk CdTe determined by time-resolved optical pump-probe techniques

NASA Astrophysics Data System (ADS)

Ščajev, Patrik; Miasojedovas, Saulius; Mekys, Algirdas; Kuciauskas, Darius; Lynn, Kelvin G.; Swain, Santosh K.; JarašiÅ«nas, Kestutis

2018-01-01

We applied time-resolved pump-probe spectroscopy based on free carrier absorption and light diffraction on a transient grating for direct measurements of the carrier lifetime and diffusion coefficient D in high-resistivity single crystal CdTe (codoped with In and Er). The bulk carrier lifetime τ decreased from 670 ± 50 ns to 60 ± 10 ns with increase of excess carrier density N from 1016 to 5 × 1018 cm-3 due to the excitation-dependent radiative recombination rate. In this N range, the carrier diffusion length dropped from 14 μm to 6 μm due to lifetime decrease. Modeling of in-depth (axial) and in-plane (lateral) carrier diffusion provided the value of surface recombination velocity S = 6 × 105 cm/s for the untreated surface. At even higher excitations, in the 1019-3 × 1020 cm-3 density range, D increase from 5 to 20 cm2/s due to carrier degeneracy was observed.

Quasi-ballistic Electronic Thermal Conduction in Metal Inverse Opals.

PubMed

Barako, Michael T; Sood, Aditya; Zhang, Chi; Wang, Junjie; Kodama, Takashi; Asheghi, Mehdi; Zheng, Xiaolin; Braun, Paul V; Goodson, Kenneth E

2016-04-13

Porous metals are used in interfacial transport applications that leverage the combination of electrical and/or thermal conductivity and the large available surface area. As nanomaterials push toward smaller pore sizes to increase the total surface area and reduce diffusion length scales, electron conduction within the metal scaffold becomes suppressed due to increased surface scattering. Here we observe the transition from diffusive to quasi-ballistic thermal conduction using metal inverse opals (IOs), which are metal films that contain a periodic arrangement of interconnected spherical pores. As the material dimensions are reduced from ∼230 nm to ∼23 nm, the thermal conductivity of copper IOs is reduced by more than 57% due to the increase in surface scattering. In contrast, nickel IOs exhibit diffusive-like conduction and have a constant thermal conductivity over this size regime. The quasi-ballistic nature of electron transport at these length scales is modeled considering the inverse opal geometry, surface scattering, and grain boundaries. Understanding the characteristics of electron conduction at the nanoscale is essential to minimizing the total resistance of porous metals for interfacial transport applications, such as the total electrical resistance of battery electrodes and the total thermal resistance of microscale heat exchangers.

Lateral diffusion in model membranes is independent of the size of the hydrophobic region of molecules.

PubMed Central

Balcom, B J; Petersen, N O

1993-01-01

We have systematically investigated the probe size and shape dependence of lateral diffusion in model dimyristoyl phosphatidylcholine membranes. Linear hydrophobic polymers, which differ in length by an order of magnitude, were used to explore the effect on the lateral diffusion coefficient of hydrodynamic restrictions in the bilayer interior. The polymers employed are isoprenoid alcohols--citronellol, solanesol, and dolichol. Tracer lateral diffusion coefficients were measured by fluorescence photobleaching recovery. Despite the large difference in lengths, the nitrobenzoxadiazole labelled alcohols all diffuse at the rate of lipid self-diffusion (5.0 x 10(-12) m2 s-1, 29 degrees C) in the liquid crystal phase. Companion measurements in isotropic polymer solution, in gel phase lipid membranes and with nonpolar fluorescent polyaromatic hydrocarbons, show a marked dependence of the lateral diffusion coefficient on the probe molecule size. Our results in the liquid crystal phase are in accord with free area theory which asserts that lateral diffusion in the membrane is restricted by the surface-free area. Probe molecules which are significantly longer than the host phospholipid, seven times longer in the case of dolichol, are still restricted in their lateral motion by the surface properties of the bilayer in the liquid crystal phase. Fluorescence quenching experiments indicate that the nitrobenzoxadiazole label does not reside at the aqueous interface, although it must reside in close proximity according to the diffusion measurements. PMID:8218892

Method and apparatus for determining minority carrier diffusion length in semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moore, A.R.

1984-02-21

Method and apparatus are provided for determining the diffusion length of minority carriers in semiconductor material, particularly amorphous silicon, which has a significantly small minority carrier diffusion length using the constant magnitude surface-photovoltage (SPV) method. Steady or modulated illumination at several wavelengths provides the light excitation on the surface of the material to generate the SPV. A manually controlled or automatic servo system maintains a constant predetermined value of the SPB for each wavelength. A probe electrode immersed in an electrolyte solution containing redox couples (preferably quinhydrone) having an oxidation-reduction potential (E) in the order of +0.6 to -1.65 voltsmore » couples the SPV to a measurement system. The redox couple solution functions to create a liquid Schottky barrier at the surface of the material. The Schottky barrier is contacted by merely placing the probe in the solution. The redox solution is placed over and in contact with the material to be tested and light is passed through the solution to generate the SPV. To compensate for colored redox solutions a portion of the redox solution not over the material is also illuminated for determining the color compensated light intensity. Steady red light is also used as an optical bias to reduce deleterious space-charge effects that occur in amorphous silicon.« less

Method and apparatus for determining minority carrier diffusion length in semiconductors

DOEpatents

Moore, Arnold R.

1984-02-21

Method and apparatus are provided for determining the diffusion length of minority carriers in semiconductor material, particularly amorphous silicon, which has a significantly small minority carrier diffusion length using the constant magnitude surface-photovoltage (SPV) method. Steady or modulated illumination at several wavelengths provides the light excitation on the surface of the material to generate the SPV. A manually controlled or automatic servo system maintains a constant predetermined value of the SPV for each wavelength. A probe electrode immersed in an electrolyte solution containing redox couples (preferably quinhydrone) having an oxidation-reduction potential (E) in the order of +0.6 to -1.65 volts couples the SPV to a measurement system. The redox couple solution functions to create a liquid Schottky barrier at the surface of the material. The Schottky barrier is contacted by merely placing the probe in the solution. The redox solution is placed over and in contact with the material to be tested and light is passed through the solution to generate the SPV. To compensate for colored redox solutions a portion of the redox solution not over the material is also illuminated for determining the color compensated light intensity. Steady red light is also used as an optical bias to reduce deleterious space-charge effects that occur in amorphous silicon.

Analysis of diffusion in curved surfaces and its application to tubular membranes.

PubMed

Klaus, Colin James Stockdale; Raghunathan, Krishnan; DiBenedetto, Emmanuele; Kenworthy, Anne K

2016-12-01

Diffusion of particles in curved surfaces is inherently complex compared with diffusion in a flat membrane, owing to the nonplanarity of the surface. The consequence of such nonplanar geometry on diffusion is poorly understood but is highly relevant in the case of cell membranes, which often adopt complex geometries. To address this question, we developed a new finite element approach to model diffusion on curved membrane surfaces based on solutions to Fick's law of diffusion and used this to study the effects of geometry on the entry of surface-bound particles into tubules by diffusion. We show that variations in tubule radius and length can distinctly alter diffusion gradients in tubules over biologically relevant timescales. In addition, we show that tubular structures tend to retain concentration gradients for a longer time compared with a comparable flat surface. These findings indicate that sorting of particles along the surfaces of tubules can arise simply as a geometric consequence of the curvature without any specific contribution from the membrane environment. Our studies provide a framework for modeling diffusion in curved surfaces and suggest that biological regulation can emerge purely from membrane geometry. © 2016 Klaus, Raghunathan, et al. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

Application of the SEM to the measurement of solar cell parameters

NASA Technical Reports Server (NTRS)

Weizer, V. G.; Andrews, C. W.

1977-01-01

A pair of techniques are described which make use of the SEM to measure, respectively, the minority carrier diffusion length and the metallurgical junction depth in silicon solar cells. The former technique permits the measurement of the true bulk diffusion length through the application of highly doped field layers to the back surfaces of the cells being investigated. The technique yields an absolute value of the diffusion length from a knowledge of the collected fraction of the injected carriers and the cell thickness. It is shown that the secondary emission contrast observed in the SEM on a reverse-biased diode can depict the location of the metallurgical junction if the diode has been prepared with the proper beveled geometry. The SEM provides the required contrast and the option of high magnification, permitting the measurement of extremely shallow junction depths.

Unified Heat Kernel Regression for Diffusion, Kernel Smoothing and Wavelets on Manifolds and Its Application to Mandible Growth Modeling in CT Images

PubMed Central

Chung, Moo K.; Qiu, Anqi; Seo, Seongho; Vorperian, Houri K.

2014-01-01

We present a novel kernel regression framework for smoothing scalar surface data using the Laplace-Beltrami eigenfunctions. Starting with the heat kernel constructed from the eigenfunctions, we formulate a new bivariate kernel regression framework as a weighted eigenfunction expansion with the heat kernel as the weights. The new kernel regression is mathematically equivalent to isotropic heat diffusion, kernel smoothing and recently popular diffusion wavelets. Unlike many previous partial differential equation based approaches involving diffusion, our approach represents the solution of diffusion analytically, reducing numerical inaccuracy and slow convergence. The numerical implementation is validated on a unit sphere using spherical harmonics. As an illustration, we have applied the method in characterizing the localized growth pattern of mandible surfaces obtained in CT images from subjects between ages 0 and 20 years by regressing the length of displacement vectors with respect to the template surface. PMID:25791435

The dynamics of oceanic fronts. I - The Gulf Stream

NASA Technical Reports Server (NTRS)

Kao, T. W.

1980-01-01

The establishment and maintenance of the mean hydrographic properties of large-scale density fronts in the upper ocean is considered. The dynamics is studied by posing an initial value problem starting with a near-surface discharge of buoyant water with a prescribed density deficit into an ambient stationary fluid of uniform density; full time dependent diffusion and Navier-Stokes equations are then used with constant eddy diffusion and viscosity coefficients, together with a constant Coriolis parameter. Scaling analysis reveals three independent scales of the problem including the radius of deformation of the inertial length, buoyancy length, and diffusive length scales. The governing equations are then suitably scaled and the resulting normalized equations are shown to depend on the Ekman number alone for problems of oceanic interest. It is concluded that the mean Gulf Stream dynamics can be interpreted in terms of a solution of the Navier-Stokes and diffusion equations, with the cross-stream circulation responsible for the maintenance of the front; this mechanism is suggested for the maintenance of the Gulf Stream dynamics.

Propagation of intense laser radiation through a diffusion flame of burning oil

NASA Astrophysics Data System (ADS)

Gvozdev, S. V.; Glova, A. F.; Dubrovskii, V. Yu; Durmanov, S. T.; Krasyukov, A. G.; Lysikov, A. Yu; Smirnov, G. V.; Pleshkov, V. M.

2015-06-01

We report the results of measuring the absorption coefficient of radiation from a cw ytterbium fibre single-mode laser with the power up to 1.5 kW by a diffusion flame of oil, burning in the atmosphere air at normal pressure on a free surface. For the constant length (30 mm) and width (30 mm) of the flame and the distance 10 mm between the laser beam axis and the oil surface the dependence of the absorption coefficient, averaged over the flame length, on the mean radiation intensity (varied from 4.5 × 103 to 1.2 × 106 W cm-2) entering the flame is obtained. The qualitative explanation of nonmonotonic behaviour of the absorption coefficient versus the intensity is presented.

Precision Control of Thermal Transport in Cryogenic Single-Crystal Silicon Devices

NASA Technical Reports Server (NTRS)

Rostem, K.; Chuss, D. T.; Colazo, F. A.; Crowe, E. J.; Denis, K. L.; Lourie, N. P.; Moseley, S. H.; Stevenson, T. R.; Wollack, E. J.

2014-01-01

We report on the diffusive-ballistic thermal conductance of multi-moded single-crystal silicon beams measured below 1 K. It is shown that the phonon mean-free-path is a strong function of the surface roughness characteristics of the beams. This effect is enhanced in diffuse beams with lengths much larger than, even when the surface is fairly smooth, 510 nm rms, and the peak thermal wavelength is 0.6 microns. Resonant phonon scattering has been observed in beams with a pitted surface morphology and characteristic pit depth of 30 nm. Hence, if the surface roughness is not adequately controlled, the thermal conductance can vary significantly for diffuse beams fabricated across a wafer. In contrast, when the beam length is of order, the conductance is dominated by ballistic transport and is effectively set by the beam cross-sectional area. We have demonstrated a uniformity of +/-8% in fractional deviation for ballistic beams, and this deviation is largely set by the thermal conductance of diffuse beams that support the micro-electro-mechanical device and electrical leads. In addition, we have found no evidence for excess specific heat in single-crystal silicon membranes. This allows for the precise control of the device heat capacity with normal metal films. We discuss the results in the context of the design and fabrication of large-format arrays of far-infrared and millimeter wavelength cryogenic detectors.

Excitation-dependent carrier lifetime and diffusion length in bulk CdTe determined by time-resolved optical pump-probe techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ščajev, Patrik; Miasojedovas, Saulius; Mekys, Algirdas

We applied time-resolved pump-probe spectroscopy based on free carrier absorption and light diffraction on a transient grating for direct measurements of the carrier lifetime and diffusion coefficient D in high-resistivity single crystal CdTe (codoped with In and Er). The bulk carrier lifetime t decreased from 670 +/-50 ns to 60 +/- 10 ns with increase of excess carrier density N from 10 16 to 5 x 10 18cm -3 due to the excitation-dependent radiative recombination rate. In this N range, the carrier diffusion length dropped from 14 um to 6 um due to lifetime decrease. Modeling of in-depth (axial) andmore » in-plane (lateral) carrier diffusion provided the value of surface recombination velocity S = 6 x 10 5 cm/s for the untreated surface. At even higher excitations, in the 10 19-3 x 10 20 cm -3 density range, D increase from 5 to 20 cm^2/s due to carrier degeneracy was observed.« less

Excitation-dependent carrier lifetime and diffusion length in bulk CdTe determined by time-resolved optical pump-probe techniques

DOE PAGES

Ščajev, Patrik; Miasojedovas, Saulius; Mekys, Algirdas; ...

2018-01-14

We applied time-resolved pump-probe spectroscopy based on free carrier absorption and light diffraction on a transient grating for direct measurements of the carrier lifetime and diffusion coefficient D in high-resistivity single crystal CdTe (codoped with In and Er). The bulk carrier lifetime t decreased from 670 +/-50 ns to 60 +/- 10 ns with increase of excess carrier density N from 10 16 to 5 x 10 18cm -3 due to the excitation-dependent radiative recombination rate. In this N range, the carrier diffusion length dropped from 14 um to 6 um due to lifetime decrease. Modeling of in-depth (axial) andmore » in-plane (lateral) carrier diffusion provided the value of surface recombination velocity S = 6 x 10 5 cm/s for the untreated surface. At even higher excitations, in the 10 19-3 x 10 20 cm -3 density range, D increase from 5 to 20 cm^2/s due to carrier degeneracy was observed.« less

Electrical characterization of fluorinated benzothiadiazole based conjugated copolymer - a promising material for high-performance solar cells

NASA Astrophysics Data System (ADS)

Toušek, J.; Toušková, J.; Remeš, Z.; Chomutová, R.; Čermák, J.; Helgesen, M.; Carlé, J. E.; Krebs, F. C.

2015-12-01

Measurements of electrical conductivity, electron work function, carrier mobility of holes and the diffusion length of excitons were performed on samples of conjugated polymers relevant to polymer solar cells. A state of the art fluorinated benzothiadiazole based conjugated copolymer (PBDTTHD - DTBTff) was studied and benchmarked against the reference polymer poly-3-hexylthiophene (P3HT). We employed, respectively, four electrode conductivity measurements, Kelvin probe work function measurements, carrier mobility using charge extraction by linearly increasing voltage (CELIV) measurements and diffusion length determinaton using surface photovoltage measurements.

Extra-thermodynamic study on surface diffusion in reversed-phase liquid chromatography using silica gels bonded with alkyl ligands of different chain lengths

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miyabe, Kanji; Guiochon, Georges A

2005-06-01

Surface diffusion on adsorbents made of silica gels bonded to C{sub 1}, C{sub 4}, C{sub 8}, and C{sub 18} alkyl ligands was studied in reversed-phase liquid chromatography (RPLC) from the viewpoints of two extrathermodynamic relationships: enthalpy-entropy compensation (EEC) and linear free-energy relationship (LFER). First, the values of the surface diffusion coefficient (D{sub s}), normalized by the density of the alkyl ligands, were analyzed with the modified Arrhenius equation, following the four approaches proposed in earlier research. This showed that an actual EEC resulting from substantial physicochemical effects occurs for surface diffusion and suggested a mechanistic similarity of molecular migration bymore » surface diffusion, irrespective of the alkyl chain length. Second, a new model based on EEC was derived to explain the LFER between the logarithms of D{sub s} measured under different RPLC conditions. This showed that the changes of free energy, enthalpy, and entropy of surface diffusion are linearly correlated with the carbon number in the alkyl ligands of the bonded phases and that the contribution of the C{sub 18} ligand to the changes of the thermodynamic parameters corresponds to that of the C{sub 10} ligand. The new LFER model correlates the slope and intercept of the LFER to the compensation temperatures derived from the EEC analyses and to several parameters characterizing the molecular contributions to the changes in enthalpy and entropy. Finally, the new model was used to estimate D{sub s} under various RPLC conditions. The values of D{sub s} that were estimated from only two original experimental D{sub s} data were in agreement with corresponding experimental D{sub s} values, with relative errors of {approx}20%, irrespective of some RPLC conditions.« less

Ab initio study of the adsorption, diffusion, and intercalation of alkali metal atoms on the (0001) surface of the topological insulator Bi{sub 2}Se{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryabishchenkova, A. G., E-mail: ryaange@gmail.com; Otrokov, M. M.; Kuznetsov, V. M.

2015-09-15

Ab initio study of the adsorption, diffusion, and intercalation of alkali metal adatoms on the (0001) step surface of the topological insulator Bi{sub 2}Se{sub 3} has been performed for the case of low coverage. The calculations of the activation energies of diffusion of adatoms on the surface and in van der Waals gaps near steps, as well as the estimate of diffusion lengths, have shown that efficient intercalation through steps is possible only for Li and Na. Data obtained for K, Rb, and Cs atoms indicate that their thermal desorption at high temperatures can occur before intercalation. The results havemore » been discussed in the context of existing experimental data.« less

A remark on the theory of measuring thermal diffusivity by the modified Angstrom's method. [in lunar samples

NASA Technical Reports Server (NTRS)

Horai, K.-I.

1981-01-01

A theory of the measurement of the thermal diffusivity of a sample by the modified Angstrom method is developed for the case in which radiative heat loss from the end surface of the sample is not negligible, and applied to measurements performed on lunar samples. Formulas allowing sample thermal diffusivity to be determined from the amplitude decay and phase lag of a temperature wave traveling through the sample are derived for a flat disk sample for which only heat loss from the end surface is important, and a sample of finite diameter and length for which heat loss through the end and side surfaces must be considered. It is noted that in the case of a flat disk, measurements at a single angular frequency of the temperature wave are sufficient, while the sample of finite diameter and length requires measurements at two discrete angular frequencies. Comparison of the values of the thermal diffusivities of two lunar samples of dimensions approximately 1 x 1 x 2 cm derived by the present methods and by the Angstrom theory for a finite bar reveals them to differ by not more than 5%, and indicates that more refined data are required as the measurement theory becomes more complicated.

An EBIC equation for solar cells. [Electron Beam Induced Current

NASA Technical Reports Server (NTRS)

Luke, K. L.; Von Roos, O.

1983-01-01

When an electron beam of a scanning electron microscope (SEM) impinges on an N-P junction, the generation of electron-hole pairs by impact ionization causes a characteristic short circuit current I(sc) to flow. The I(sc), i.e., EBIC (electron beam induced current) depends strongly on the configuration used to investigate the cell's response. In this paper the case where the plane of the junction is perpendicular to the surface is considered. An EBIC equation amenable to numerical computations is derived as a function of cell thickness, source depth, surface recombination velocity, diffusion length, and distance of the junction to the beam-cell interaction point for a cell with an ohmic contact at its back surface. It is shown that the EBIC equation presented here is more general and easier to use than those previously reported. The effects of source depth, ohmic contact, and diffusion length on the normalized EBIC characteristic are discussed.

Determination of carrier diffusion length in p- and n-type GaN

NASA Astrophysics Data System (ADS)

Hafiz, Shopan; Metzner, Sebastian; Zhang, Fan; Monavarian, Morteza; Avrutin, Vitaliy; Morkoç, Hadis; Karbaum, Christopher; Bertram, Frank; Christen, Jürgen; Gil, Bernard; Özgür, Ümit

2014-03-01

Diffusion lengths of photo-excited carriers along the c-direction were determined from photoluminescence (PL) measurements in p- and n-type GaN epitaxial layers grown on c-plane sapphire by metal-organic chemical vapor deposition. The investigated samples incorporate a 6 nm thick In0.15Ga0.85N active layer capped with either 500 nm p- GaN or 1300 nm n-GaN. The top GaN layers were etched in steps and PL from the InGaN active region and the underlying layers was monitored as a function of the top GaN thickness upon photogeneration near the surface region by above bandgap excitation. Taking into consideration the absorption in the active and underlying layers, the diffusion lengths at 295 K and at 15 K were measured to be about 92 ± 7 nm and 68 ± 7 nm for Mg-doped p-type GaN and 432 ± 30 nm and 316 ± 30 nm for unintentionally doped n-type GaN, respectively. Cross-sectional cathodoluminescence line-scan measurement was performed on a separate sample and the diffusion length in n-type GaN was measured to be 280 nm.

A direct method of extracting surface recombination velocity from an electron beam induced current line scan

NASA Astrophysics Data System (ADS)

Ong, Vincent K. S.

1998-04-01

The extraction of diffusion length and surface recombination velocity in a semiconductor with the use of an electron beam induced current line scan has traditionally been done by fitting the line scan into complicated theoretical equations. It was recently shown that a much simpler equation is sufficient for the extraction of diffusion length. The linearization coefficient is the only variable that is needed to be adjusted in the curve fitting process. However, complicated equations are still necessary for the extraction of surface recombination velocity. It is shown in this article that it is indeed possible to extract surface recombination velocity with a simple equation, using only one variable, the linearization coefficient. An intuitive feel for the reason behind the method was discussed. The accuracy of the method was verified with the use of three-dimensional computer simulation, and was found to be even slightly better than that of the best existing method.

Permeability of acetic acid across gel and liquid-crystalline lipid bilayers conforms to free-surface-area theory.

PubMed Central

Xiang, T X; Anderson, B D

1997-01-01

Solubility-diffusion theory, which treats the lipid bilayer membrane as a bulk lipid solvent into which permeants must partition and diffuse across, fails to account for the effects of lipid bilayer chain order on the permeability coefficient of any given permeant. This study addresses the scaling factor that must be applied to predictions from solubility-diffusion theory to correct for chain ordering. The effects of bilayer chemical composition, temperature, and phase structure on the permeability coefficient (Pm) of acetic acid were investigated in large unilamellar vesicles by a combined method of NMR line broadening and dynamic light scattering. Permeability values were obtained in distearoylphosphatidylcholine, dipalmitoylphosphatidylcholine, dimyristoylphosphatidylcholine, and dilauroylphosphatidylcholine bilayers, and their mixtures with cholesterol, at various temperatures both above and below the gel-->liquid-crystalline phase transition temperatures (Tm). A new scaling factor, the permeability decrement f, is introduced to account for the decrease in permeability coefficient from that predicted by solubility-diffusion theory owing to chain ordering in lipid bilayers. Values of f were obtained by division of the observed Pm by the permeability coefficient predicted from a bulk solubility-diffusion model. In liquid-crystalline phases, a strong correlation (r = 0.94) between f and the normalized surface density sigma was obtained: in f = 5.3 - 10.6 sigma. Activation energies (Ea) for the permeability of acetic acid decreased with decreasing phospholipid chain length and correlated with the sensitivity of chain ordering to temperature, [symbol: see text] sigma/[symbol: see text](1/T), as chain length was varied. Pm values decreased abruptly at temperatures below the main phase transition temperatures in pure dipalmitoylphosphatidylcholine and dimyristoylphosphatidylcholine bilayers (30-60-fold) and below the pretransition in dipalmitoylphosphatidylcholine bilayers (8-fold), and the linear relationship between in f and sigma established for liquid-crystalline bilayers was no longer followed. However, in both gel and liquid-crystalline phases in f was found to exhibit an inverse correlation with free surface area (in f = -0.31 - 29.1/af, where af is the average free area (in square angstroms) per lipid molecule). Thus, the lipid bilayer permeability of acetic acid can be predicted from the relevant chain-packing properties in the bilayer (free surface area), regardless of whether chain ordering is varied by changes in temperature, lipid chain length, cholesterol concentration, or bilayer phase structure, provided that temperature effects on permeant dehydration and diffusion and the chain-length effects on bilayer barrier thickness are properly taken into account. PMID:8994607

Atomic diffusion in laser surface modified AISI H13 steel

NASA Astrophysics Data System (ADS)

Aqida, S. N.; Brabazon, D.; Naher, S.

2013-07-01

This paper presents a laser surface modification process of AISI H13 steel using 0.09 and 0.4 mm of laser spot sizes with an aim to increase surface hardness and investigate elements diffusion in laser modified surface. A Rofin DC-015 diffusion-cooled CO2 slab laser was used to process AISI H13 steel samples. Samples of 10 mm diameter were sectioned to 100 mm length in order to process a predefined circumferential area. The parameters selected for examination were laser peak power, pulse repetition frequency (PRF), and overlap percentage. The hardness properties were tested at 981 mN force. Metallographic study and energy dispersive X-ray spectroscopy (EDXS) were performed to observe presence of elements and their distribution in the sample surface. Maximum hardness achieved in the modified surface was 1017 HV0.1. Change of elements composition in the modified layer region was detected in the laser modified samples. Diffusion possibly occurred for C, Cr, Cu, Ni, and S elements. The potential found for increase in surface hardness represents an important method to sustain tooling life. The EDXS findings signify understanding of processing parameters effect on the modified surface composition.

Determination of critical diameters for intrinsic carrier diffusion-length of GaN nanorods with cryo-scanning near-field optical microscopy

PubMed Central

Chen, Y. T.; Karlsson, K. F.; Birch, J.; Holtz, P. O.

2016-01-01

Direct measurements of carrier diffusion in GaN nanorods with a designed InGaN/GaN layer-in-a-wire structure by scanning near-field optical microscopy (SNOM) were performed at liquid-helium temperatures of 10 K. Without an applied voltage, intrinsic diffusion lengths of photo-excited carriers were measured as the diameters of the nanorods differ from 50 to 800 nm. The critical diameter of nanorods for carrier diffusion is concluded as 170 nm with a statistical approach. Photoluminescence spectra were acquired for different positions of the SNOM tip on the nanorod, corresponding to the origins of the well-defined luminescence peaks, each being related to recombination-centers. The phenomenon originated from surface oxide by direct comparison of two nanorods with similar diameters in a single map has been observed and investigated. PMID:26876009

Lateral gas phase diffusion length of boron atoms over Si/B surfaces during CVD of pure boron layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mohammadi, V., E-mail: V.Mohammadi@tudelft.nl; Nihtianov, S.

The lateral gas phase diffusion length of boron atoms, L{sub B}, along silicon and boron surfaces during chemical vapor deposition (CVD) using diborane (B{sub 2}H{sub 6}) is reported. The value of L{sub B} is critical for reliable and uniform boron layer coverage. The presented information was obtained experimentally and confirmed analytically in the boron deposition temperature range from 700 °C down to 400 °C. For this temperature range the local loading effect of the boron deposition is investigated on the micro scale. A L{sub B} = 2.2 mm was determined for boron deposition at 700 °C, while a L{sub B}more » of less than 1 mm was observed at temperatures lower than 500 °C.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolfram, Phillip J.; Ringler, Todd D.; Maltrud, Mathew E.

Isopycnal diffusivity due to stirring by mesoscale eddies in an idealized, wind-forced, eddying, midlatitude ocean basin is computed using Lagrangian, in Situ, Global, High-Performance Particle Tracking (LIGHT). Simulation is performed via LIGHT within the Model for Prediction across Scales Ocean (MPAS-O). Simulations are performed at 4-, 8-, 16-, and 32-km resolution, where the first Rossby radius of deformation (RRD) is approximately 30 km. Scalar and tensor diffusivities are estimated at each resolution based on 30 ensemble members using particle cluster statistics. Each ensemble member is composed of 303 665 particles distributed across five potential density surfaces. Diffusivity dependence upon modelmore » resolution, velocity spatial scale, and buoyancy surface is quantified and compared with mixing length theory. The spatial structure of diffusivity ranges over approximately two orders of magnitude with values of O(10 5) m 2 s –1 in the region of western boundary current separation to O(10 3) m 2 s –1 in the eastern region of the basin. Dominant mixing occurs at scales twice the size of the first RRD. Model resolution at scales finer than the RRD is necessary to obtain sufficient model fidelity at scales between one and four RRD to accurately represent mixing. Mixing length scaling with eddy kinetic energy and the Lagrangian time scale yield mixing efficiencies that typically range between 0.4 and 0.8. In conclusion, a reduced mixing length in the eastern region of the domain relative to the west suggests there are different mixing regimes outside the baroclinic jet region.« less

Diffused junction p(+)-n solar cells in bulk GaAs. II - Device characterization and modelling

NASA Technical Reports Server (NTRS)

Keeney, R.; Sundaram, L. M. G.; Rode, H.; Bhat, I.; Ghandhi, S. K.; Borrego, J. M.

1984-01-01

The photovoltaic characteristics of p(+)-n junction solar cells fabricated on bulk GaAs by an open tube diffusion technique are presented in detail. Quantum efficiency measurements were analyzed and compared to computer simulations of the cell structure in order to determine material parameters such as diffusion length, surface recombination velocity and junction depth. From the results obtained it is projected that proper optimization of the cell parameters can increase the efficiency of the cells to close to 20 percent.

Determination of bulk diffusion lengths for angle-lapped semiconductor material via the scanning electron microscope: A theoretical analysis

NASA Technical Reports Server (NTRS)

Vonroos, O.

1978-01-01

A standard procedure for the determination of the minority carrier diffusion length by means of a scanning electron microscope (SEM) consists in scanning across an angle-lapped surface of a P-N junction and measuring the resultant short circuit current I sub sc as a function of beam position. A detailed analysis of the I sub sc originating from this configuration is presented. It is found that, for a point source excitation, the I sub sc depends very simply on x, the variable distance between the surface and the junction edge. The expression for the I sub sc of a planar junction device is well known. If d, the constant distance between the plane of the surface of the semiconductor and the junction edge in the expression for the I of a planar junction is merely replaced by x, the variable distance of the corresponding angle-lapped junction, an expression results which is correct to within a small fraction of a percent as long as the angle between the surfaces, 2 theta sub 1, is smaller than 10 deg.

Diagnosing isopycnal diffusivity in an eddying, idealized midlatitude ocean basin via Lagrangian, in Situ, Global, High-Performance Particle Tracking (LIGHT)

DOE PAGES

Wolfram, Phillip J.; Ringler, Todd D.; Maltrud, Mathew E.; ...

2015-08-01

Isopycnal diffusivity due to stirring by mesoscale eddies in an idealized, wind-forced, eddying, midlatitude ocean basin is computed using Lagrangian, in Situ, Global, High-Performance Particle Tracking (LIGHT). Simulation is performed via LIGHT within the Model for Prediction across Scales Ocean (MPAS-O). Simulations are performed at 4-, 8-, 16-, and 32-km resolution, where the first Rossby radius of deformation (RRD) is approximately 30 km. Scalar and tensor diffusivities are estimated at each resolution based on 30 ensemble members using particle cluster statistics. Each ensemble member is composed of 303 665 particles distributed across five potential density surfaces. Diffusivity dependence upon modelmore » resolution, velocity spatial scale, and buoyancy surface is quantified and compared with mixing length theory. The spatial structure of diffusivity ranges over approximately two orders of magnitude with values of O(10 5) m 2 s –1 in the region of western boundary current separation to O(10 3) m 2 s –1 in the eastern region of the basin. Dominant mixing occurs at scales twice the size of the first RRD. Model resolution at scales finer than the RRD is necessary to obtain sufficient model fidelity at scales between one and four RRD to accurately represent mixing. Mixing length scaling with eddy kinetic energy and the Lagrangian time scale yield mixing efficiencies that typically range between 0.4 and 0.8. In conclusion, a reduced mixing length in the eastern region of the domain relative to the west suggests there are different mixing regimes outside the baroclinic jet region.« less

Unified heat kernel regression for diffusion, kernel smoothing and wavelets on manifolds and its application to mandible growth modeling in CT images.

PubMed

Chung, Moo K; Qiu, Anqi; Seo, Seongho; Vorperian, Houri K

2015-05-01

We present a novel kernel regression framework for smoothing scalar surface data using the Laplace-Beltrami eigenfunctions. Starting with the heat kernel constructed from the eigenfunctions, we formulate a new bivariate kernel regression framework as a weighted eigenfunction expansion with the heat kernel as the weights. The new kernel method is mathematically equivalent to isotropic heat diffusion, kernel smoothing and recently popular diffusion wavelets. The numerical implementation is validated on a unit sphere using spherical harmonics. As an illustration, the method is applied to characterize the localized growth pattern of mandible surfaces obtained in CT images between ages 0 and 20 by regressing the length of displacement vectors with respect to a surface template. Copyright © 2015 Elsevier B.V. All rights reserved.

Design optimization of GaAs betavoltaic batteries

NASA Astrophysics Data System (ADS)

Chen, Haiyanag; Jiang, Lan; Chen, Xuyuan

2011-06-01

GaAs junctions are designed and fabricated for betavoltaic batteries. The design is optimized according to the characteristics of GaAs interface states and the diffusion length in the depletion region of GaAs carriers. Under an illumination of 10 mCi cm-2 63Ni, the open circuit voltage of the optimized batteries is about ~0.3 V. It is found that the GaAs interface states induce depletion layers on P-type GaAs surfaces. The depletion layer along the P+PN+ junction edge isolates the perimeter surface from the bulk junction, which tends to significantly reduce the battery dark current and leads to a high open circuit voltage. The short circuit current density of the optimized junction is about 28 nA cm-2, which indicates a carrier diffusion length of less than 1 µm. The overall results show that multi-layer P+PN+ junctions are the preferred structures for GaAs betavoltaic battery design.

Propagation of intense laser radiation through a diffusion flame of burning oil

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gvozdev, S V; Glova, A F; Dubrovskii, V Yu

2015-06-30

We report the results of measuring the absorption coefficient of radiation from a cw ytterbium fibre single-mode laser with the power up to 1.5 kW by a diffusion flame of oil, burning in the atmosphere air at normal pressure on a free surface. For the constant length (30 mm) and width (30 mm) of the flame and the distance 10 mm between the laser beam axis and the oil surface the dependence of the absorption coefficient, averaged over the flame length, on the mean radiation intensity (varied from 4.5 × 10{sup 3} to 1.2 × 10{sup 6} W cm{sup -2})more » entering the flame is obtained. The qualitative explanation of nonmonotonic behaviour of the absorption coefficient versus the intensity is presented. (laser applications and other topics in quantum electronics)« less

Crystal surface integrity and diffusion measurements on Earth and planetary materials

NASA Astrophysics Data System (ADS)

Watson, E. B.; Cherniak, D. J.; Thomas, J. B.; Hanchar, J. M.; Wirth, R.

2016-09-01

Characterization of diffusion behavior in minerals is key to providing quantitative constraints on the ages and thermal histories of Earth and planetary materials. Laboratory experiments are a vital source of the needed diffusion measurements, but these can pose challenges because the length scales of diffusion achievable in a laboratory time are commonly less than 1 μm. An effective strategy for dealing with this challenge is to conduct experiments involving inward diffusion of the element of interest from a surface source, followed by quantification of the resulting diffusive-uptake profile using a high-resolution depth-profiling technique such as Rutherford backscattering spectroscopy (RBS), nuclear reaction analysis (NRA), or ion microprobe (SIMS). The value of data from such experiments is crucially dependent on the assumption that diffusion in the near-surface of the sample is representative of diffusion in the bulk material. Historical arguments suggest that the very process of preparing a polished surface for diffusion studies introduces defects-in the form of dislocations and cracks-in the outermost micrometer of the sample that make this region fundamentally different from the bulk crystal in terms of its diffusion properties. Extensive indirect evidence suggests that, in fact, the near-surface region of carefully prepared samples is no different from the bulk crystal in terms of its diffusion properties. A direct confirmation of this conclusion is nevertheless clearly important. Here we use transmission electron microscopy to confirm that the near-surface regions of olivine, quartz and feldspar crystals prepared using careful polishing protocols contain no features that could plausibly affect diffusion. This finding does not preclude damage to the mineral structure from other techniques used in diffusion studies (e.g., ion implantation), but even in this case the role of possible structural damage can be objectively assessed and controlled. While all evidence points to the reliability of diffusivities obtained from in-diffusion experiments, we do not recommend experiments of this type using a powder source as a means of obtaining diffusant solubility or partitioning information for the mineral of interest.

Surface sealing using self-assembled monolayers and its effect on metal diffusion in porous low-k dielectrics studied using monoenergetic positron beams

NASA Astrophysics Data System (ADS)

Uedono, Akira; Armini, Silvia; Zhang, Yu; Kakizaki, Takeaki; Krause-Rehberg, Reinhard; Anwand, Wolfgang; Wagner, Andreas

2016-04-01

Surface sealing effects on the diffusion of metal atoms in porous organosilicate glass (OSG) films were studied by monoenergetic positron beams. For a Cu(5 nm)/MnN(3 nm)/OSG(130 nm) sample fabricated with pore stuffing, C4F8 plasma etch, unstuffing, and a self-assembled monolayer (SAM) sealing process, it was found that pores with cubic pore side lengths of 1.1 and 3.1 nm coexisted in the OSG film. For the sample without the SAM sealing process, metal (Cu and Mn) atoms diffused from the top Cu/MnN layer into the OSG film and were trapped by the pores. As a result, almost all pore interiors were covered with those metals. For the sample damaged by an Ar/C4F8 plasma etch treatment before the SAM sealing process, SAMs diffused into the OSG film, and they were preferentially trapped by larger pores. The cubic pore side length in these pores containing self-assembled molecules was estimated to be 0.7 nm. Through this work, we have demonstrated that monoenergetic positron beams are a powerful tool for characterizing capped porous films and the trapping of atoms and molecules by pores.

Determination of carrier diffusion length in GaN

NASA Astrophysics Data System (ADS)

Hafiz, Shopan; Zhang, Fan; Monavarian, Morteza; Avrutin, Vitaliy; Morkoç, Hadis; Özgür, Ümit; Metzner, Sebastian; Bertram, Frank; Christen, Jürgen; Gil, Bernard

2015-01-01

Diffusion lengths of photo-excited carriers along the c-direction were determined from photoluminescence (PL) and cross-sectional cathodoluminescence (CL) measurements in p- and n-type GaN epitaxial layers grown on c-plane sapphire by metal-organic chemical vapor deposition. The investigated samples incorporate a 6 nm thick In0.15Ga0.85N active layer capped with either 500 nm p-GaN or 1500 nm n-GaN. The top GaN layers were etched in steps and PL from the InGaN active region and the underlying layers was monitored as a function of the top GaN thickness upon photo-generation near the surface region by above bandgap excitation. Taking into consideration the absorption in the top GaN layer as well as active and underlying layers, the diffusion lengths at 295 K and at 15 K were measured to be 93 ± 7 nm and 70 ± 7 nm for Mg-doped p-type GaN and 432 ± 30 nm and 316 ± 30 nm for unintentionally doped n-type GaN, respectively, at photogenerated carrier densities of 4.2 × 1018 cm-3 using PL spectroscopy. CL measurements of the unintentionally doped n-type GaN layer at much lower carrier densities of 1017 cm-3 revealed a longer diffusion length of 525 ± 11 nm at 6 K.

Application of the SEM to the measurement of solar cell parameters

NASA Technical Reports Server (NTRS)

Weizer, V. G.; Andrews, C. W.

1977-01-01

Techniques are described which make use of the SEM to measure the minority carrier diffusion length and the metallurgical junction depth in silicon solar cells. The former technique permits the measurement of the true bulk diffusion length through the application of highly doped field layers to the back surfaces of the cells being investigated. It is shown that the secondary emission contrast observed in the SEM on a reverse-biased diode can depict the location of the metallurgical junction if the diode has been prepared with the proper beveled geometry. The SEM provides the required contrast and the option of high magnification, permitting the measurement of extremely shallow junction depths.

Long-Term (4 mo) Oxygen Isotope Exchange Experiment between Zircon and Hydrothermal Fluid

NASA Astrophysics Data System (ADS)

Bindeman, I. N.; Schmitt, A. K.; Lundstrom, C.; Golledge, S.

2013-12-01

Knowing oxygen diffusivity in zircon has several critical applications: 1) establishing zircon stability and solubility in hot silica-saturated hydrothermal solutions; 2) deriving metamorphic and magmatic heating timescales from intra-crystal oxygen isotopic gradients; 3) assessing the survivability of oxygen isotopic signatures in Hadean zircons. We report results of a microanalytical investigation of an isotope exchange experiment using a cold-seal pressure apparatus at 850°C and 500 MPa over 4 months duration. Natural zircon, quartz and rutile were sealed with a silica-rich solution doped with 18-O, D, 7-Li and 10-B in a gold capsule. The diffusion length-scales were examined by depth profiling using time-of-flight (TOF) and high-sensitivity dynamic secondary ionization mass spectrometry (SIMS). Starting materials had distinct and homogeneous δ18O: zircon from Mesa Falls tuff of Yellowstone (+3.6‰), rutile from Karelia (-29‰), Bishop Tuff Quartz (+8.4‰), and δ18O doped water (+400‰). Starting material zircon showed invariant 18O/16O during depth profiling. After the 4 month experiment, rutile crystal surfaces displayed etching (100's of nm), while zircon exteriors lacked visible change. Quartz was completely dissolved and reprecipitated in a minor residue. Rutile developed ~2 μm long Fickian diffusion profiles largely consistent with the wet diffusion coefficients for rutile previously reported [1]. Surface U-Pb dating of zircon detected no significant Pb loss from the outermost ~300 nm of the crystal face and returned identical core-face ages. We performed δ18O depth profiling of zircon in two directions. First, forward profiles (crystal rim inwards) by dynamic SIMS (no surface treatment besides Au-coating; Cs+ beam of 20 kV impact energy) showed initially high and decreasing 18O/16O over ~130 nm; TOF-SIMS forward profiles using a 2 kV Cs+ sputter beam and 25 kV Bi3+ primary ions on uncoated zircon surfaces (cleaned for 2 min with HF) yielded decreasing 18O/16O over a similar length scale. These profile lengths are largely consistent with wet diffusion coefficient for zircon reported by [2]. In contrast, back-side depth profiling was conducted by dynamic SIMS on a 1 μm thick wafer cut from the zircon by FIB. No significant elevation in 18O/16O was detected when the surface layer was penetrated, consistent with dry diffusion coefficients of [2]. The results suggest that nm-scale SIMS surface analysis of isotope ratios is challenging. We are investigating if they can be critically affected by knock-on effects and/or continuous mixing of a very thin enriched surface layer during depth profiling in our and previous experiments. [1] Moore et al., 1998, Am. Min. 83, 700-711 [2] Watson and Cherniak, 1997, EPSL 148, 537-544

Coherent X-ray Scattering from Liquid-Air Interfaces

NASA Astrophysics Data System (ADS)

Shpyrko, Oleg

Advances in synchrotron x-ray scattering techniques allow studies of structure and dynamics of liquid surfaces with unprecedented resolution. I will review x-ray scattering measurements of thermally excited capillary fluctuations in liquids, thin polymer liquid films and polymer surfaces in confined geometry. X-ray Diffuse scattering profile due to Debye-Waller like roughening of the surface allows to probe the distribution of capillary fluctuations over a wide range of length scales, while using X-ray Photon Correlation Spectroscopy (XPCS) one is able to directly couple to nanoscale dynamics of these surface fluctuations, over a wide range of temporal and spacial scales. I will also discuss recent XPCS measurements of lateral diffusion dynamics in Langmuir monolayers assembled at the liquid-air interface. This research was supported by NSF CAREER Grant 0956131.

Electrical and optical characterization of surface passivation in GaAs nanowires.

PubMed

Chang, Chia-Chi; Chi, Chun-Yung; Yao, Maoqing; Huang, Ningfeng; Chen, Chun-Chung; Theiss, Jesse; Bushmaker, Adam W; Lalumondiere, Stephen; Yeh, Ting-Wei; Povinelli, Michelle L; Zhou, Chongwu; Dapkus, P Daniel; Cronin, Stephen B

2012-09-12

We report a systematic study of carrier dynamics in Al(x)Ga(1-x)As-passivated GaAs nanowires. With passivation, the minority carrier diffusion length (L(diff)) increases from 30 to 180 nm, as measured by electron beam induced current (EBIC) mapping, and the photoluminescence (PL) lifetime increases from sub-60 ps to 1.3 ns. A 48-fold enhancement in the continuous-wave PL intensity is observed on the same individual nanowire with and without the Al(x)Ga(1-x)As passivation layer, indicating a significant reduction in surface recombination. These results indicate that, in passivated nanowires, the minority carrier lifetime is not limited by twin stacking faults. From the PL lifetime and minority carrier diffusion length, we estimate the surface recombination velocity (SRV) to range from 1.7 × 10(3) to 1.1 × 10(4) cm·s(-1), and the minority carrier mobility μ is estimated to lie in the range from 10.3 to 67.5 cm(2) V(-1) s(-1) for the passivated nanowires.

Fabricating and Controlling Silicon Zigzag Nanowires by Diffusion-Controlled Metal-Assisted Chemical Etching Method.

PubMed

Chen, Yun; Zhang, Cheng; Li, Liyi; Tuan, Chia-Chi; Wu, Fan; Chen, Xin; Gao, Jian; Ding, Yong; Wong, Ching-Ping

2017-07-12

Silicon (Si) zigzag nanowires (NWs) have a great potential in many applications because of its high surface/volume ratio. However, fabricating Si zigzag NWs has been challenging. In this work, a diffusion-controlled metal-assisted chemical etching method is developed to fabricate Si zigzag NWs. By tailoring the composition of etchant to change its diffusivity, etching direction, and etching time, various zigzag NWs can be easily fabricated. In addition, it is also found that a critical length of NW (>1 μm) is needed to form zigzag nanowires. Also, the amplitude of zigzag increases as the location approaches the center of the substrate and the length of zigzag nanowire increases. It is also demonstrated that such zigzag NWs can help the silicon substrate for self-cleaning and antireflection. This method may provide a feasible and economical way to fabricate zigzag NWs and novel structures for broad applications.

Sulfur doping of GaAs with (NH4)2Sx solution

NASA Astrophysics Data System (ADS)

Lee, Jong-Lam

1999-01-01

A novel technique for sulfur doping to GaAs was demonstrated. The surface of GaAs was treated with (NH4)2Sx solution, subsequent to annealing using either furnace or rapid thermal processing. Sulfur atoms adsorbed at the surface of GaAs during the (NH4)2Sx treatment diffuse into GaAs during the annealing. The diffusion profiles of sulfur in both types of annealing treatments show a concave shape from the GaAs surface. Diffusion constants of sulfur determined using the Boltzmann-Matano technique increase with the decrease of sulfur concentration via the depth from the surface of GaAs. This suggests that immobile sulfur donor SAs+ forms at the near surface interacts with a Ga divacancy, and results in the production of mobile As interstitials, IAs. The IAs moves fast toward the inside of GaAs and kickout the SAs+ donor, producing a fast diffusing species of interstitial S atoms. The diffusion coefficients of sulfur determined are 2.5×10-14 cm2/s at 840 °C and 5×10-12 cm2/s at 900 °C. The sulfur doping technique is applied to the fabrication of metal-semiconductor field-effect transistors (MESFETs). The MESFETs with 1.0 μm gate length exhibit transconductance of 190 mS/mm, demonstrating the applicability of this technique to the formation of active channel layer of MESFETs.

Modeling Suomi-NPP VIIRS Solar Diffuser Degradation due to Space Radiation

NASA Astrophysics Data System (ADS)

Shao, X.; Cao, C.

2014-12-01

The Visible Infrared Imaging Radiometer Suite (VIIRS) onboard Suomi-NPP uses a solar diffuser (SD) as on-board radiometric calibrator for the reflective solar band (RSB) calibration. Solar diffuser is made of Spectralon (one type of fluoropolymer) and was chosen because of its controlled reflectance in the VIS-NIR-SWIR region and its near-Lambertian reflectance profile. Spectralon is known to degrade in reflectance at the blue end of the spectrum due to exposure to space radiations such as solar UV radiation and energetic protons. These space radiations can modify the Spectralon surface through breaking C-C and C-F bonds and scissioning or cross linking the polymer, which causes the surface roughness and degrades its reflectance. VIIRS uses a SDSM (Solar Diffuser Stability Monitor) to monitor the change in the Solar Diffuser reflectance in the 0.4 - 0.94 um wavelength range and provide a correction to the calibration constants. The H factor derived from SDSM reveals that reflectance of 0.4 to 0.6um channels of VIIRS degrades faster than the reflectance of longer wavelength RSB channels. A model is developed to derive characteristic parameters such as mean SD surface roughness height and autocovariance length of SD surface roughness from the long term spectral degradation of SD reflectance as monitored by SDSM. These two parameters are trended to assess development of surface roughness of the SD over the operation period of VIIRS.

Real space mapping of ionic diffusion and electrochemical activity in energy storage and conversion materials

DOEpatents

Kalinin, Sergei V; Balke, Nina; Kumar, Amit; Dudney, Nancy J; Jesse, Stephen

2014-05-06

A method and system for probing mobile ion diffusivity and electrochemical reactivity on a nanometer length scale of a free electrochemically active surface includes a control module that biases the surface of the material. An electrical excitation signal is applied to the material and induces the movement of mobile ions. An SPM probe in contact with the surface of the material detects the displacement of mobile ions at the surface of the material. A detector measures an electromechanical strain response at the surface of the material based on the movement and reactions of the mobile ions. The use of an SPM tip to detect local deformations allows highly reproducible measurements in an ambient environment without visible changes in surface structure. The measurements illustrate effective spatial resolution comparable with defect spacing and well below characteristic grain sizes of the material.

Porous coatings from wire mesh for bone implants

DOEpatents

Sump, Kenneth R.

1986-01-01

A method of coating areas of bone implant elements and the resulting implant having a porous coating are described. Preselected surface areas are covered by a preform made from continuous woven lengths of wire. The preform is compressed and heated to assure that diffusion bonding occurs between the wire surfaces and between the surface boundaries of the implant element and the wire surfaces in contact with it. Porosity is achieved by control of the resulting voids between the bonded wire portions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmidtbauer, Jan; Bansen, Roman; Heimburger, Robert

Germanium nanowires (NWs) were grown onto Ge(111) substrates by the vapor-liquid-solid process using gold droplets. The growth was carried out in a molecular beam epitaxy chamber at substrate temperatures between 370 Degree-Sign C and 510 Degree-Sign C. The resulting nanowire growth rate turns out to be highly dependent on the substrate temperature exhibiting the maximum at T = 430 Degree-Sign C. The temperature dependence of growth rate can be attributed to surface diffusion both along the substrate and nanowire sidewalls. Analyzing the diffusive material transport yields a diffusion length of 126 nm at a substrate temperature of 430 Degree-Sign C.

Strange kinetics of bulk-mediated diffusion on lipid bilayers

PubMed Central

Campagnola, Grace; Nepal, Kanti; Peersen, Olve B.

2016-01-01

Diffusion at solid-liquid interfaces is crucial in many technological and biophysical processes. Although its behavior seems deceivingly simple, recent studies showing passive superdiffusive transport suggest diffusion on surfaces may hide rich complexities. In particular, bulk-mediated diffusion occurs when molecules are transiently released from the surface to perform three-dimensional excursions into the liquid bulk. This phenomenon bears the dichotomy where a molecule always return to the surface but the mean jump length is infinite. Such behavior is associated with a breakdown of the central limit theorem and weak ergodicity breaking. Here, we use single-particle tracking to study the statistics of bulk-mediated diffusion on a supported lipid bilayer. We find that the time-averaged mean square displacement (MSD) of individual trajectories, the archetypal measure in diffusion processes, does not converge to the ensemble MSD but it remains a random variable, even in the long observation-time limit. The distribution of time averages is shown to agree with a Lévy flight model. Our results also unravel intriguing anomalies in the statistics of displacements. The time averaged MSD is shown to depend on experimental time and investigations of fractional moments show a scaling 〈|r(t)|q〉 ∼ tqv(q) with non-linear exponents, i.e. v(q) ≠ const. This type of behavior is termed strong anomalous diffusion and is rare among experimental observations. PMID:27095275

Minority carrier diffusion lengths and absorption coefficients in silicon sheet material

NASA Technical Reports Server (NTRS)

Dumas, K. A.; Swimm, R. T.

1980-01-01

Most of the methods which have been developed for the measurement of the minority carrier diffusion length of silicon wafers require that the material have either a Schottky or an ohmic contact. The surface photovoltage (SPV) technique is an exception. The SPV technique could, therefore, become a valuable diagnostic tool in connection with current efforts to develop low-cost processes for the production of solar cells. The technique depends on a knowledge of the optical absorption coefficient. The considered investigation is concerned with a reevaluation of the absorption coefficient as a function of silicon processing. A comparison of absorption coefficient values showed these values to be relatively consistent from sample to sample, and independent of the sample growth method.

Positron annihilation spectroscopic studies of solvothermally synthesized ZnO nanobipyramids and nanoparticles

NASA Astrophysics Data System (ADS)

Ghoshal, Tandra; Biswas, Subhajit; Kar, Soumitra; Chaudhuri, Subhadra; Nambissan, P. M. G.

2008-02-01

Zinc oxide (ZnO) samples in the form of hexagonal-based bipyramids and particles of nanometer dimensions were synthesized through solvothermal route and characterized by x-ray diffraction and transmission electron microscopy. Positron annihilation experiments were performed to study the structural defects such as vacancies and surfaces in these nanosystems. From coincidence Doppler broadening measurements, the positron trapping sites were identified as Zn vacancies or Zn-O-Zn trivacancy clusters. The positron lifetimes, their relative intensities, and the Doppler broadened lineshape parameter S all showed characteristic changes across the nanobipyramid size corresponding to the thermal diffusion length of positrons. In large nanobipyramids, vacancies within the crystallites also trapped positrons and the effects of agglomeration of such vacancies due to increased temperatures of synthesis were reflected in the variation of the annihilation parameters with their base diameters. The sizes of the nanoparticles used were all in the limit of thermal diffusion length of positrons and the annihilation characteristics were in accordance with the decreasing contribution from surfaces with increasing particle size.

Positron annihilation spectroscopic studies of solvothermally synthesized ZnO nanobipyramids and nanoparticles.

PubMed

Ghoshal, Tandra; Biswas, Subhajit; Kar, Soumitra; Chaudhuri, Subhadra; Nambissan, P M G

2008-02-21

Zinc oxide (ZnO) samples in the form of hexagonal-based bipyramids and particles of nanometer dimensions were synthesized through solvothermal route and characterized by x-ray diffraction and transmission electron microscopy. Positron annihilation experiments were performed to study the structural defects such as vacancies and surfaces in these nanosystems. From coincidence Doppler broadening measurements, the positron trapping sites were identified as Zn vacancies or Zn-O-Zn trivacancy clusters. The positron lifetimes, their relative intensities, and the Doppler broadened lineshape parameter S all showed characteristic changes across the nanobipyramid size corresponding to the thermal diffusion length of positrons. In large nanobipyramids, vacancies within the crystallites also trapped positrons and the effects of agglomeration of such vacancies due to increased temperatures of synthesis were reflected in the variation of the annihilation parameters with their base diameters. The sizes of the nanoparticles used were all in the limit of thermal diffusion length of positrons and the annihilation characteristics were in accordance with the decreasing contribution from surfaces with increasing particle size.

Method and system for gas flow mitigation of molecular contamination of optics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Delgado, Gildardo; Johnson, Terry; Arienti, Marco

A computer-implemented method for determining an optimized purge gas flow in a semi-conductor inspection metrology or lithography apparatus, comprising receiving a permissible contaminant mole fraction, a contaminant outgassing flow rate associated with a contaminant, a contaminant mass diffusivity, an outgassing surface length, a pressure, a temperature, a channel height, and a molecular weight of a purge gas, calculating a flow factor based on the permissible contaminant mole fraction, the contaminant outgassing flow rate, the channel height, and the outgassing surface length, comparing the flow factor to a predefined maximum flow factor value, calculating a minimum purge gas velocity and amore » purge gas mass flow rate from the flow factor, the contaminant mass diffusivity, the pressure, the temperature, and the molecular weight of the purge gas, and introducing the purge gas into the semi-conductor inspection metrology or lithography apparatus with the minimum purge gas velocity and the purge gas flow rate.« less

The influence of hydrodynamic slip on the electrophoretic mobility of a spherical colloidal particle

NASA Astrophysics Data System (ADS)

Khair, Aditya S.; Squires, Todd M.

2009-04-01

Recent theoretical studies have suggested a significant enhancement in electro-osmotic flows over hydrodynamically slipping surfaces, and experiments have indeed measured O(1) enhancements. In this paper, we investigate whether an equivalent effect occurs in the electrophoretic motion of a colloidal particle whose surface exhibits hydrodynamic slip. To this end, we compute the electrophoretic mobility of a uniformly charged spherical particle with slip length λ as a function of the zeta (or surface) potential of the particle ζ and diffuse-layer thickness κ-1. In the case of a thick diffuse layer, κa ≪1 (where a is the particle size), simple arguments show that slip does lead to an O(1) enhancement in the mobility, owing to the reduced viscous drag on the particle. On the other hand, for a thin-diffuse layer κa ≫1, the situation is more complicated. A detailed asymptotic analysis, following the method of O'Brien [J. Colloid Interface Sci. 92, 204 (1983)], reveals that an O(κλ) increase in the mobility occurs at low-to-moderate zeta potentials (with ζ measured on the scale of thermal voltage kBT /e≈25 mV). However, as ζ is further increased, the mobility decreases and ultimately becomes independent of the slip length—the enhancement is lost—which is due to the importance of nonuniform surface conduction within the thin-diffuse layer, at large ζ and large, but finite, κa. Our asymptotic calculations for thick and thin-diffuse layers are corroborated and bridged by computation of the mobility from the numerical solution of the full electrokinetic equations (using the method of O'Brien and White [J. Chem. Soc., Faraday Trans. 2 74, 1607 (1978)]). In summary, then, we demonstrate that hydrodynamic slip can indeed produce an enhancement in the electrophoretic mobility; however, such enhancements will not be as dramatic as the previously studied κa →∞ limit would suggest. Importantly, this conclusion applies not only to electrophoresis but also to electro-osmosis over highly charged surfaces, wherein any inhomogeneities (e.g., due to curvature, roughness, charge patterning, or a variation in slip length) will drive nonuniform surface conduction, which prevents the significant slip-driven flow enhancements predicted for a uniform highly charged surface.

Exploratory laboratory study of lateral turbulent diffusion at the surface of an alluvial channel

USGS Publications Warehouse

Sayre, William W.; Chamberlain, A.R.

1964-01-01

In natural streams turbulent diffusion is one of the principal mechanisms by which liquid and suspended-particulate contaminants are dispersed in the flow. A knowledge of turbulence characteristics is therefore essential in predicting the dispersal rates of contaminants in streams. In this study the theory of diffusion by continuous movements for homogeneous turbulence is applied to lateral diffusion at the surface of an open channel in which there is uniform flow. An exploratory-laboratory investigation was conducted in which the lateral dispersion at the water surface of a sand-Led flume was studied by measuring the lateral spread from a point source of small floating polyethylene articles. The experiment was restricted to a single set of low and channel geometry conditions. The results of the study indicate that with certain restrictions lateral dispersion in alluvial channels may be successfully described by the theory of diffusion by continuous movements. The experiment demonstrates a means for evaluating the lateral diffusion coefficient and also methods for quantitatively estimating fundamental turbulence properties, such as the intensity and the Lagrangian integral scale of turbulence in an alluvial channel. The experimental results show that with increasing distance from the source the coefficient of lateral turbulent diffusion increases initially but tends toward a constant limiting value. This result is in accordance with turbulent diffusion theory. Indications are that the distance downstream from the source required for the diffusion coefficient to reach its limiting value is actually very small when compared to the length scale of most diffusion phenomena in natural streams which are of practical interest.

Effect of Crystal Defects on Minority Carrier Diffusion Length in 6H SiC Measured Using the Electron Beam Induced Current Method

NASA Technical Reports Server (NTRS)

Tabib-Azar, Massood

1997-01-01

We report values of minority carrier diffusion length in n-type 6H SiC measured using a planar Electron Beam Induced Current (EBIC) method. Values of hole diffusion length in defect free regions of n-type 6H SiC, with a doping concentration of 1.7El7 1/cu cm, ranged from 1.46 microns to 0.68 microns. We next introduce a novel variation of the planar method used above. This 'planar mapping' technique measured diffusion length along a linescan creating a map of diffusion length versus position. This map is then overlaid onto the EBIC image of the corresponding linescan, allowing direct visualization of the effect of defects on minority carrier diffusion length. Measurements of the above n-type 6H SiC resulted in values of hole diffusion length ranging from 1.2 micron in defect free regions to below 0.1 gm at the center of large defects. In addition, measurements on p-type 6H SiC resulted in electron diffusion lengths ranging from 1.42 micron to 0.8 micron.

Random walk on lattices: Graph-theoretic approach to simulating long-range diffusion-attachment growth models

NASA Astrophysics Data System (ADS)

Limkumnerd, Surachate

2014-03-01

Interest in thin-film fabrication for industrial applications have driven both theoretical and computational aspects of modeling its growth. One of the earliest attempts toward understanding the morphological structure of a film's surface is through a class of solid-on-solid limited-mobility growth models such as the Family, Wolf-Villain, or Das Sarma-Tamborenea models, which have produced fascinating surface roughening behaviors. These models, however, restrict the motion of an incidence atom to be within the neighborhood of its landing site, which renders them inept for simulating long-distance surface diffusion such as that observed in thin-film growth using a molecular-beam epitaxy technique. Naive extension of these models by repeatedly applying the local diffusion rules for each hop to simulate large diffusion length can be computationally very costly when certain statistical aspects are demanded. We present a graph-theoretic approach to simulating a long-range diffusion-attachment growth model. Using the Markovian assumption and given a local diffusion bias, we derive the transition probabilities for a random walker to traverse from one lattice site to the others after a large, possibly infinite, number of steps. Only computation with linear-time complexity is required for the surface morphology calculation without other probabilistic measures. The formalism is applied, as illustrations, to simulate surface growth on a two-dimensional flat substrate and around a screw dislocation under the modified Wolf-Villain diffusion rule. A rectangular spiral ridge is observed in the latter case with a smooth front feature similar to that obtained from simulations using the well-known multiple registration technique. An algorithm for computing the inverse of a class of substochastic matrices is derived as a corollary.

Surface-structure dependence of healing radiation-damage mechanism in nanoporous tungsten

NASA Astrophysics Data System (ADS)

Duan, Guohua; Li, Xiangyan; Sun, Jingjing; Hao, Congyu; Xu, Yichun; Zhang, Yange; Liu, Wei; Liu, C. S.

2018-01-01

Under nuclear fusion environments, displacement damage in tungsten (W) is usually caused by neutrons irradiation through producing large quantities of vacancies (Vs) and self-interstitial atoms (SIAs). These defects not only affect the mechanical properties of W, but also act as the trap sites for implanted hydrogen isotopes and helium. Nano-porous (NP) W with a high fraction of free surfaces has been developed to mitigate the radiation damage. However, the mechanism of the surface reducing defects accumulation is not well understood. By using multi-scale simulation methods, we investigated the interaction of the SIA and V with different surfaces on across length and time scales. We found that, at a typical operation temperature of 1000 K, surface (1 1 0) preferentially heals radiation damage of W compared with surface (1 0 0) and boundary (3 1 0). On surface (1 1 0), the diffusion barrier for the SIA is only 0.68 eV. The annihilation of the SIA-V happens via the coupled motion of the V segregation towards the surface from the bulk and the two-dimensional diffusion of the SIA on the surface. Such mechanism makes the surface (1 1 0) owe better healing capability. On surface (1 0 0), the diffusion energy barrier for the SIA is 2.48 eV, higher than the diffusion energy barrier of the V in bulk. The annihilation of the SIA-V occurs via the V segregation and recombination. The SIA was found to migrate one-dimensionally along a boundary (3 1 0) with a barrier of 0.21 eV, leading to a lower healing efficiency in the boundary. This study suggested that the on-surface process plays an important role in healing radiation damage of NP W in addition to surface-enhanced diffusion and annihilation near the surface. A certain surface structure renders nano-structured W more radiation-tolerant.

Transport Imaging of Multi-Junction and CIGS Solar Cell Materials

DTIC Science & Technology

2011-12-01

solar cells start with the material charge transport parameters, namely the charge mobility, lifetime and diffusion length . It is the goal of...every solar cell manufacturer to maintain high carrier lifetime so as to realize long diffusion lengths . Long diffusion lengths ensure that the charges...Thus, being able to accurately determine the diffusion length of any solar cell material proves advantageous by providing insights

Dependence of Exciton Diffusion Length and Diffusion Coefficient on Photophysical Parameters in Bulk Heterojunction Organic Solar Cells

NASA Astrophysics Data System (ADS)

Yeboah, Douglas; Singh, Jai

2017-11-01

Recently, the dependence of exciton diffusion length (LD ) on some photophysical parameters of organic solids has been experimentally demonstrated, however no systematic theoretical analysis of this phenomenon has been carried out. We have conducted a theoretical study by using the Förster resonance energy transfer and Dexter carrier transfer mechanisms together with the Einstein-Smoluchowski diffusion equation to derive analytical models for the diffusion lengths (LD ) and diffusion coefficients (D) of singlet (S) and triplet (T) excitons in organic solids as functions of spectral overlap integral (J) , photoluminescence (PL) quantum yield (φD ) , dipole moment (μT ) and refractive index (n) of the photoactive material. The exciton diffusion lengths and diffusion coefficients in some selected organic solids were calculated, and we found that the singlet exciton diffusion length (LDS ) increases with φD and J, and decreases with n. Also, the triplet exciton diffusion length (LDT ) increases with φD and decreases with μT . These may be achieved through doping the organic solids into broad optical energy gap host materials as observed in previous experiments. The calculated exciton diffusion lengths are compared with experimental values and a reasonably good agreement is found between them. The results presented are expected to provide insight relevant to the synthesis of new organic solids for fabrication of bulk heterojunction organic solar cells characterized by better power conversion efficiency.

Understanding Diffusion in Hierarchical Zeolites with House-of-Cards Nanosheets.

PubMed

Bai, Peng; Haldoupis, Emmanuel; Dauenhauer, Paul J; Tsapatsis, Michael; Siepmann, J Ilja

2016-08-23

Introducing mesoporosity to conventional microporous sorbents or catalysts is often proposed as a solution to enhance their mass transport rates. Here, we show that diffusion in these hierarchical materials is more complex and exhibits non-monotonic dependence on sorbate loading. Our atomistic simulations of n-hexane in a model system containing microporous nanosheets and mesopore channels indicate that diffusivity can be smaller than in a conventional zeolite with the same micropore structure, and this observation holds true even if we confine the analysis to molecules completely inside the microporous nanosheets. Only at high sorbate loadings or elevated temperatures, when the mesopores begin to be sufficiently populated, does the overall diffusion in the hierarchical material exceed that in conventional microporous zeolites. Our model system is free of structural defects, such as pore blocking or surface disorder, that are typically invoked to explain slower-than-expected diffusion phenomena in experimental measurements. Examination of free energy profiles and visualization of molecular diffusion pathways demonstrates that the large free energy cost (mostly enthalpic in origin) for escaping from the microporous region into the mesopores leads to more tortuous diffusion paths and causes this unusual transport behavior in hierarchical nanoporous materials. This knowledge allows us to re-examine zero-length-column chromatography data and show that these experimental measurements are consistent with the simulation data when the crystallite size instead of the nanosheet thickness is used for the nominal diffusional length.

Equatorial ground ice on Mars: Steady-state stability

NASA Technical Reports Server (NTRS)

Mellon, Michael T.; Jakosky, Bruce M.; Postawko, Susan E.

1993-01-01

Current Martian equatorial surface temperatures are too warm for water ice to exist at the surface for any appreciable length of time before subliming into the atmosphere. Subsurface temperatures are generally warmer still and, despite the presence of a diffusive barrier of porous regolith material, it has been shown by Smoluchowski, Clifford and Hillel, and Fanale et al. that buried ground ice will also sublime and be lost to the atmosphere in a relatively short time. We investigate the behavior of this subliming subsurface ice and show that it is possible for ice to maintain at a steady-state depth, where sublimation and diffusive loss to the atmosphere is balanced by resupply from beneath by diffusion and recondensation of either a deeper buried ice deposits or ground water. We examine the behavior of equatorial ground ice with a numercial time-marching molecular diffusion model. In our model we allow for diffusion of water vapor through a porous regolith, variations in diffusivity and porosity with ice content, and recondensation of sublimed water vapor. A regolith containing considerable amounts of ice can still be very porous, allowing water vapor to diffuse up from deeper within the ice layer where temperatures are warmer due to the geothermal gradient. This vapor can then recondense nearer to the surface where ice had previously sublimed and been lost to the atmosphere. As a result we find that ice deposits migrate to find a steady-state depth, which represents a balance between diffusive loss to the atmosphere through the overlying porous regolith and diffusive resupply through a porous icy regolith below. This depth depends primarily on the long-term mean surface temperature and the nature of the geothermal gradient, and is independent of the ice-free porosity and the regolith diffusivity. Only the rate of loss of ground ice depends on diffusive properties.

Analysis of the electron-beam-induced current of a polycrystalline p-n junction when the diffusion lengths of the material on either side of a grain boundary differ

NASA Technical Reports Server (NTRS)

Von Roos, O.; Luke, K. L.

1984-01-01

The short circuit current generated by the electron beam of a scanning electron microscope in p-n junctions is reduced by enhanced recombination at grain boundaries in polycrystalline material. Frequently, grain boundaries separate the semiconductor into regions possessing different minority carrier life times. This markedly affects the short circuit current I(sc) as a function of scanning distance from the grain boundary. It will be shown theoretically that (1) the minimum of the I(sc) in crossing the grain boundary with the scanning electron beam is shifted away from the grain boundary toward the region with smaller life time (shorter diffusion length), (2) the magnitude of the minimum differs markedly from those calculated under the assumption of equal diffusion lengths on either side of the grain boundary, and (3) the minimum disappears altogether for small surface recombination velocities (s less than 10,000 cm/s). These effects become negligible, however, for large recombination velocities s at grain boundaries. For p-type silicon this happens for s not less than 100,000 cm/s.

Stability of Zircon and its Isotopic Ratios in High-Temperature Fluids: Long-Term (4 months) Isotope Exchange Experiment at 850 °C and 50 MPa

NASA Astrophysics Data System (ADS)

Bindeman, Ilya N.; Schmitt, Axel K.; Lundstrom, Craig C.; Hervig, Richard L.

2018-05-01

Stability of zircon in hydrothermal fluids and vanishingly slow rates of diffusion identify zircon as a reliable recorder of its formation conditions in recent and ancient rocks. Debate, however, persists on how rapidly oxygen and key trace elements (e.g., Li, B, Pb) diffuse when zircon is exposed to hot aqueous fluids. Here, we report results of a nano- to micrometer-scale investigation of isotopic exchange using natural zircon from Mesa Falls Tuff (Yellowstone) treated with quartz-saturated, isotopically (18O, D, 7Li, and 11B) labeled water with a nominal δ18O value of +450‰ over 4 months at 850°C and 50 MPa. Frontside (crystal rim inwards) δ18O depth profiling of zircon by magnetic sector SIMS shows initially high but decreasing 18O/16O over a 130 nm non-Fickian profile, with a decay length comparable to the signal from surficial Au coating deposited onto zircon. In contrast, backside (crystal interior outwards) depth profiling on a 2-3 µm thick wafer cut and thinned from treated zircon by focused ion beam (FIB) milling lacks any significant increase in 18O/16O during penetration of the original surface layer. Near-surface time-of-flight (TOF-SIMS) frontside profiles of uncoated zircon from 4-month and 1-day-long experiments as well as untreated zircons display similar enrichments of 18O over a distance of 20 nm. All frontside 18O profiles are here interpreted as transient surface signals from nm-thick surface enrichment or contamination unrelated to diffusion. Likewise, frontside depth profiling of H, Li, and B isotopes are similar for long- and short-duration experiments. Additionally, surface U-Pb dating of zircon from the 4-month experiment returned U-Pb ages by depth profiling with 1 µm penetration that were identical to untreated samples. Frontside and backside depth-profiling thus demonstrate that diffusive 18O enrichment in the presence of H2O is much slower than predicted from experiments in Watson and Cherniak (1997). Instead, intracrystalline exchange of oxygen between fluid and zircon in wet experimental conditions with excess silica occurred over length-scales equivalent to those predicted for dry diffusion. Oxygen diffusion coefficients even under wet conditions and elevated temperatures (850 °C) are <1-3×10-23 m2/sec, underscoring a virtual lack of oxygen diffusion and an outstanding survivability of zircons

Estimating the spin diffusion length and the spin Hall angle from spin pumping induced inverse spin Hall voltages

NASA Astrophysics Data System (ADS)

Roy, Kuntal

2017-11-01

There exists considerable confusion in estimating the spin diffusion length of materials with high spin-orbit coupling from spin pumping experiments. For designing functional devices, it is important to determine the spin diffusion length with sufficient accuracy from experimental results. An inaccurate estimation of spin diffusion length also affects the estimation of other parameters (e.g., spin mixing conductance, spin Hall angle) concomitantly. The spin diffusion length for platinum (Pt) has been reported in the literature in a wide range of 0.5-14 nm, and in particular it is a constant value independent of Pt's thickness. Here, the key reasonings behind such a wide range of reported values of spin diffusion length have been identified comprehensively. In particular, it is shown here that a thickness-dependent conductivity and spin diffusion length is necessary to simultaneously match the experimental results of effective spin mixing conductance and inverse spin Hall voltage due to spin pumping. Such a thickness-dependent spin diffusion length is tantamount to the Elliott-Yafet spin relaxation mechanism, which bodes well for transitional metals. This conclusion is not altered even when there is significant interfacial spin memory loss. Furthermore, the variations in the estimated parameters are also studied, which is important for technological applications.

Effect of surface topographic features on the optical properties of skin: a phantom study

NASA Astrophysics Data System (ADS)

Liu, Guangli; Chen, Jianfeng; Zhao, Zuhua; Zhao, Gang; Dong, Erbao; Chu, Jiaru; Xu, Ronald X.

2016-10-01

Tissue-simulating phantoms are used to validate and calibrate optical imaging systems and to understand light transport in biological tissue. Light propagation in a strongly turbid medium such as skin tissue experiences multiple scattering and diffuse reflection from the surface. Surface roughness introduces phase shifts and optical path length differences for light which is scattered within the skin tissue and reflected from the surface. In this paper, we study the effect of mismatched surface roughness on optical measurement and subsequent determination of optical properties of skin tissue. A series of phantoms with controlled surface features and optical properties corresponding to normal human skin are fabricated. The fabrication of polydimethylsiloxane (PDMS) phantoms with known surface roughness follows a standard soft lithography process. Surface roughness of skin-simulating phantoms are measured with Bruker stylus profiler. The diffuse reflectance of the phantom is validated by a UV/VIS spectrophotometer. The results show that surface texture and roughness have considerable influence on the optical characteristics of skin. This study suggests that surface roughness should be considered as an important contributing factor for the determination of tissue optical properties.

Direct evidence of the recombination of silicon interstitial atoms at the silicon surface

NASA Astrophysics Data System (ADS)

Lamrani, Y.; Cristiano, F.; Colombeau, B.; Scheid, E.; Calvo, P.; Schäfer, H.; Claverie, Alain

2004-02-01

In this experiment, a Si wafer containing four lightly doped B marker layers epitaxially grown by CVD has been implanted with 100 keV Si + ions to a dose of 2 × 10 14 ions/cm 2 and annealed at 850 °C for several times in an RTA system in flowing N 2. TEM and SIMS analysis, in conjunction with a transient enhanced diffusion (TED) evaluation method based on the kick-out diffusion mechanism, have allowed us to accurately study the boron TED evolution in presence of extended defects. We show that the silicon surface plays a key role in the recombination of Si interstitial atoms by providing the first experimental evidence of the resulting Si ints supersaturation gradient between the defect region and the surface. Our results indicate an upper limit of about 200 nm for the surface recombination length of Si interstitials at 850 °C in a N 2 ambient.

A multi-resolution analysis of lidar-DTMs to identify geomorphic processes from characteristic topographic length scales

NASA Astrophysics Data System (ADS)

Sangireddy, H.; Passalacqua, P.; Stark, C. P.

2013-12-01

Characteristic length scales are often present in topography, and they reflect the driving geomorphic processes. The wide availability of high resolution lidar Digital Terrain Models (DTMs) allows us to measure such characteristic scales, but new methods of topographic analysis are needed in order to do so. Here, we explore how transitions in probability distributions (pdfs) of topographic variables such as (log(area/slope)), defined as topoindex by Beven and Kirkby[1979], can be measured by Multi-Resolution Analysis (MRA) of lidar DTMs [Stark and Stark, 2001; Sangireddy et al.,2012] and used to infer dominant geomorphic processes such as non-linear diffusion and critical shear. We show this correlation between dominant geomorphic processes to characteristic length scales by comparing results from a landscape evolution model to natural landscapes. The landscape evolution model MARSSIM Howard[1994] includes components for modeling rock weathering, mass wasting by non-linear creep, detachment-limited channel erosion, and bedload sediment transport. We use MARSSIM to simulate steady state landscapes for a range of hillslope diffusivity and critical shear stresses. Using the MRA approach, we estimate modal values and inter-quartile ranges of slope, curvature, and topoindex as a function of resolution. We also construct pdfs at each resolution and identify and extract characteristic scale breaks. Following the approach of Tucker et al.,[2001], we measure the average length to channel from ridges, within the GeoNet framework developed by Passalacqua et al.,[2010] and compute pdfs for hillslope lengths at each scale defined in the MRA. We compare the hillslope diffusivity used in MARSSIM against inter-quartile ranges of topoindex and hillslope length scales, and observe power law relationships between the compared variables for simulated landscapes at steady state. We plot similar measures for natural landscapes and are able to qualitatively infer the dominant geomorphic processes. Also, we explore the variability in hillslope length scales as a function of hillslope diffusivity coefficients and critical shear stress in natural landscapes and show that we can infer signatures of dominant geomorphic processes by analyzing characteristic topographic length scales present in topography. References: Beven, K. and Kirkby, M. J.: A physically based variable contributing area model of basin hydrology, Hydrol. Sci. Bull., 24, 43-69, 1979 Howard, A. D. (1994). A detachment-limited model of drainage basin evolution.Water resources research, 30(7), 2261-2285. Passalacqua, P., Do Trung, T., Foufoula Georgiou, E., Sapiro, G., & Dietrich, W. E. (2010). A geometric framework for channel network extraction from lidar: Nonlinear diffusion and geodesic paths. Journal of Geophysical. Research: Earth Surface (2003-2012), 115(F1). Sangireddy, H., Passalacqua, P., Stark, C.P.(2012). Multi-resolution estimation of lidar-DTM surface flow metrics to identify characteristic topographic length scales, EP13C-0859: AGU Fall meeting 2012. Stark, C. P., & Stark, G. J. (2001). A channelization model of landscape evolution. American Journal of Science, 301(4-5), 486-512. Tucker, G. E., Catani, F., Rinaldo, A., & Bras, R. L. (2001). Statistical analysis of drainage density from digital terrain data. Geomorphology, 36(3), 187-202.

Diffusion length of positrons and positronium investigated using a positronbeam with longitudinal geometry

NASA Astrophysics Data System (ADS)

van Petegem, S.; Dauwe, C.; van Hoecke, T.; de Baerdemaeker, J.; Segers, D.

2004-09-01

Positronium emission from single crystalline Al2O3 , MgO and vitreous a-SiO2 surfaces was studied as a function of the positron implantation energy E by means of Doppler broadening spectroscopy and Compton-to-peak ratio analysis. When the Ge-detector is in-line with the positron beam, the emission of para-positronium yields a red-shifted fly-away peak with intensity IpPse . An analysis of IpPse versus E for Al2O3 and MgO where no Ps is formed in the bulk (fPs=0) results in positron diffusion lengths L+(Al2O3)=(18±1)nm and L+(MgO)=(14±1)nm , and efficiencies for the emission of Ps by picking up of a surface electron of fpu(Al2O3)=(0.28±0.2) and fpu(MgO)=(0.24±0.2) . For a-SiO2 the bulk Ps fraction is fPs(a-SiO2)=(0.72±0.01) , fpu(a-SiO2)=(0.12±0.01) and the diffusion lengths of positrons, para-positronium and ortho-positronium are L+(SiO2)=(8±2)nm , LpPs(SiO2)=(14.5±2)nm and LoPs(SiO2)=(11±2)=nm . Depending on the specimen-detector geometry the emission of Ps at low implantation energy may cause either an increase or a decrease of the width of the annihilation line shape at low implantation energies.

Mineral Surface Rearrangement at High Temperatures: Implications for Extraterrestrial Mineral Grain Reactivity.

PubMed

King, Helen E; Plümper, Oliver; Putnis, Christine V; O'Neill, Hugh St C; Klemme, Stephan; Putnis, Andrew

2017-04-20

Mineral surfaces play a critical role in the solar nebula as a catalytic surface for chemical reactions and potentially acted as a source of water during Earth's accretion by the adsorption of water molecules to the surface of interplanetary dust particles. However, nothing is known about how mineral surfaces respond to short-lived thermal fluctuations that are below the melting temperature of the mineral. Here we show that mineral surfaces react and rearrange within minutes to changes in their local environment despite being far below their melting temperature. Polished surfaces of the rock and planetary dust-forming silicate mineral olivine ((Mg,Fe) 2 SiO 4 ) show significant surface reorganization textures upon rapid heating resulting in surface features up to 40 nm in height observed after annealing at 1200 °C. Thus, high-temperature fluctuations should provide new and highly reactive sites for chemical reactions on nebula mineral particles. Our results also may help to explain discrepancies between short and long diffusion profiles in experiments where diffusion length scales are of the order of 100 nm or less.

Tortuosity measurement and the effects of finite pulse widths on xenon gas diffusion NMR studies of porous media

NASA Technical Reports Server (NTRS)

Mair, R. W.; Hurlimann, M. D.; Sen, P. N.; Schwartz, L. M.; Patz, S.; Walsworth, R. L.

2001-01-01

We have extended the utility of NMR as a technique to probe porous media structure over length scales of approximately 100-2000 microm by using the spin 1/2 noble gas 129Xe imbibed into the system's pore space. Such length scales are much greater than can be probed with NMR diffusion studies of water-saturated porous media. We utilized Pulsed Gradient Spin Echo NMR measurements of the time-dependent diffusion coefficient, D(t), of the xenon gas filling the pore space to study further the measurements of both the pore surface-area-to-volume ratio, S/V(p), and the tortuosity (pore connectivity) of the medium. In uniform-size glass bead packs, we observed D(t) decreasing with increasing t, reaching an observed asymptote of approximately 0.62-0.65D(0), that could be measured over diffusion distances extending over multiple bead diameters. Measurements of D(t)/D(0) at differing gas pressures showed this tortuosity limit was not affected by changing the characteristic diffusion length of the spins during the diffusion encoding gradient pulse. This was not the case at the short time limit, where D(t)/D(0) was noticeably affected by the gas pressure in the sample. Increasing the gas pressure, and hence reducing D(0) and the diffusion during the gradient pulse served to reduce the previously observed deviation of D(t)/D(0) from the S/V(p) relation. The Pade approximation is used to interpolate between the long and short time limits in D(t). While the short time D(t) points lay above the interpolation line in the case of small beads, due to diffusion during the gradient pulse on the order of the pore size, it was also noted that the experimental D(t) data fell below the Pade line in the case of large beads, most likely due to finite size effects.

Polymer/riblet combination for hydrodynamic skin friction reduction

NASA Technical Reports Server (NTRS)

Reed, Jason C. (Inventor); Bushnell, Dennis M. (Inventor)

1995-01-01

A process is disclosed for reducing skin friction and inhibiting the effects of liquid turbulence in a system involving the flow of a liquid along the surface of a body, e.g. a marine vehicle. This process includes injecting a drag reducing polymer into the valleys of adjacent, evenly spaced, longitudinal grooves extending along the length of the surface of the body, so that the rate of diffusion of the polymer from individual grooves into the liquid flow is predictably controlled by the groove dimensions. When the polymer has diffused over the tips of the grooves into the near wall region of the boundary layer, the polymer effectively reduces the turbulent skin friction. A substantial drag reducing effect is achieved with less polymer than must be used to lower skin friction when the surface of the body is smooth.

Polymer/riblet combination for hydrodynamic skin friction reduction

NASA Technical Reports Server (NTRS)

Bushnell, Dennis M. (Inventor); Reed, Jason C. (Inventor)

1990-01-01

A process is disclosed for reducing skin friction and inhibiting the effects of liquid turbulence in a system involving the flow of a liquid along the surface of a body, e.g., a marine vehicle. This process includes injecting a drag reducing polymer into the valleys of adjacent, evenly spaced, longitudinal grooves extending along the length of the surface of the body, so that the rate of diffusion of the polymer from individual grooves into the liquid flow is predictably controlled by the groove dimensions. When the polymer has diffused over the tips of the grooves into the near wall region of the boundary layer, the polymer effectively reduces the turbulent skin friction. A substantial drag reducing effect is achieved with less polymer than must be used to lower skin friction when the surface of the body is smooth.

Nonlinear optical susceptibilities in the diffusion modified AlxGa1-xN/GaN single quantum well

NASA Astrophysics Data System (ADS)

Das, T.; Panda, S.; Panda, B. K.

2018-05-01

Under thermal treatment of the post growth AlGaN/GaN single quantum well, the diffusion of Al and Ga atoms across the interface is expected to form the diffusion modified quantum well with diffusion length as a quantitative parameter for diffusion. The modification of confining potential and position-dependent effective mass in the quantum well due to diffusion is calculated taking the Fick's law. The built-in electric field which arises from spontaneous and piezoelectric polarizations in the wurtzite structure is included in the effective mass equation. The electronic states are calculated from the effective mass equation using the finite difference method for several diffusion lengths. Since the effective well width decreases with increasing diffusion length, the energy levels increase with it. The intersubband energy spacing in the conduction band decreases with diffusion length due to built-in electric field and reduction of effective well width. The linear susceptibility for first-order and the nonlinear second-order and third-order susceptibilities are calculated using the compact density matrix approach taking only two levels. The calculated susceptibilities are red shifted with increase in diffusion lengths due to decrease in intersubband energy spacing.

Effect of short wavelength illumination on the characteristic bulk diffusion length in ribbon silicon solar cells

NASA Technical Reports Server (NTRS)

Ho, C. T.; Mathias, J. D.

1981-01-01

The influence of short wavelength light on the characteristic bulk minority carrier diffusion length of the ribbon silicon photovoltaic cell has been investigated. We have measured the intensity and wavelength dependence of the diffusion length in an EFG ribbon cell, and compared it with a standard Czochralski grown silicon cell. While the various short wavelength illuminations have shown no influence on the diffusion length in the CZ cell, the diffusion lengths in the ribbon cell exhibit a strong dependence on the volume generation rate as well as on the wavelength of the superimposed lights. We have concluded that the trap-filling phenomenon at various depths in the bulk neutral region of the cell is consistent with the experimental observation.

Radon detection in conical diffusion chambers: Monte Carlo calculations and experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rickards, J.; Golzarri, J. I.; Espinosa, G., E-mail: espinosa@fisica.unam.mx

2015-07-23

The operation of radon detection diffusion chambers of truncated conical shape was studied using Monte Carlo calculations. The efficiency was studied for alpha particles generated randomly in the volume of the chamber, and progeny generated randomly on the interior surface, which reach track detectors placed in different positions within the chamber. Incidence angular distributions, incidence energy spectra and path length distributions are calculated. Cases studied include different positions of the detector within the chamber, varying atmospheric pressure, and introducing a cutoff incidence angle and energy.

Near Field Imaging of Gallium Nitride Nanowires for Characterization of Minority Carrier Diffusion

DTIC Science & Technology

2009-12-01

diffusion length in nanowires is critical to potential applications in solar cells , spectroscopic sensing, and/or lasers and light emitting diodes (LED...technique has been successfully demonstrated with thin film solar cell materials [4, 5]. In these experiments, the diffusion length was measured using a...minority carrier diffusion length . This technique has been used in the near-field collection mode to image the diffusion of holes in n-type GaN

Incorporating photon recycling into the analytical drift-diffusion model of high efficiency solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lumb, Matthew P.; Naval Research Laboratory, Washington, DC 20375; Steiner, Myles A.

The analytical drift-diffusion formalism is able to accurately simulate a wide range of solar cell architectures and was recently extended to include those with back surface reflectors. However, as solar cells approach the limits of material quality, photon recycling effects become increasingly important in predicting the behavior of these cells. In particular, the minority carrier diffusion length is significantly affected by the photon recycling, with consequences for the solar cell performance. In this paper, we outline an approach to account for photon recycling in the analytical Hovel model and compare analytical model predictions to GaAs-based experimental devices operating close tomore » the fundamental efficiency limit.« less

On the structure of the turbulent vortex

NASA Technical Reports Server (NTRS)

Roberts, L.

1985-01-01

The trailing vortex generated by a lifting surface, the structure of its turbulent core and the influence of axial flow within the vortex on its initial persistence and on its subsequent decay are described. Similarity solutions of the turbulent diffusion equation are given in closed form and results are expressed in sufficiently simple terms that the influence of the lifting surface parameters on the length of persistence and the rate of decay of the vortex can be evaluated.

Investigation of diffusion length distribution on polycrystalline silicon wafers via photoluminescence methods

PubMed Central

Lou, Shishu; Zhu, Huishi; Hu, Shaoxu; Zhao, Chunhua; Han, Peide

2015-01-01

Characterization of the diffusion length of solar cells in space has been widely studied using various methods, but few studies have focused on a fast, simple way to obtain the quantified diffusion length distribution on a silicon wafer. In this work, we present two different facile methods of doing this by fitting photoluminescence images taken in two different wavelength ranges or from different sides. These methods, which are based on measuring the ratio of two photoluminescence images, yield absolute values of the diffusion length and are less sensitive to the inhomogeneity of the incident laser beam. A theoretical simulation and experimental demonstration of this method are presented. The diffusion length distributions on a polycrystalline silicon wafer obtained by the two methods show good agreement. PMID:26364565

Modeling of adsorption dynamics at air-liquid interfaces using statistical rate theory (SRT).

PubMed

Biswas, M E; Chatzis, I; Ioannidis, M A; Chen, P

2005-06-01

A large number of natural and technological processes involve mass transfer at interfaces. Interfacial properties, e.g., adsorption, play a key role in such applications as wetting, foaming, coating, and stabilizing of liquid films. The mechanistic understanding of surface adsorption often assumes molecular diffusion in the bulk liquid and subsequent adsorption at the interface. Diffusion is well described by Fick's law, while adsorption kinetics is less understood and is commonly described using Langmuir-type empirical equations. In this study, a general theoretical model for adsorption kinetics/dynamics at the air-liquid interface is developed; in particular, a new kinetic equation based on the statistical rate theory (SRT) is derived. Similar to many reported kinetic equations, the new kinetic equation also involves a number of parameters, but all these parameters are theoretically obtainable. In the present model, the adsorption dynamics is governed by three dimensionless numbers: psi (ratio of adsorption thickness to diffusion length), lambda (ratio of square of the adsorption thickness to the ratio of adsorption to desorption rate constant), and Nk (ratio of the adsorption rate constant to the product of diffusion coefficient and bulk concentration). Numerical simulations for surface adsorption using the proposed model are carried out and verified. The difference in surface adsorption between the general and the diffusion controlled model is estimated and presented graphically as contours of deviation. Three different regions of adsorption dynamics are identified: diffusion controlled (deviation less than 10%), mixed diffusion and transfer controlled (deviation in the range of 10-90%), and transfer controlled (deviation more than 90%). These three different modes predominantly depend on the value of Nk. The corresponding ranges of Nk for the studied values of psi (10(-2)

Electron-beam induced current characterization of back-surface field solar cells using a chopped scanning electron microscope beam

NASA Technical Reports Server (NTRS)

Luke, K. L.; Cheng, L.-J.

1984-01-01

A chopped electron beam induced current (EBIC) technique for the chacterization of back-surface field (BSF) solar cells is presented. It is shown that the effective recombination velocity of the low-high junction forming the back-surface field of BSF cells, in addition to the diffusion length and the surface recombination velocity of the surface perpendicular to both the p-n and low-high junctions, can be determined from the data provided by a single EBIC scan. The method for doing so is described and illustrated. Certain experimental considerations taken to enhance the quality of the EBIC data are also discussed.

Manipulating surface diffusion and elastic interactions to obtain quantum dot multilayer arrangements over different length scales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Placidi, E., E-mail: ernesto.placidi@ism.cnr.it; Arciprete, F.; Università di Roma “Tor Vergata”, Dipartimento di Fisica, via della Ricerca Scientifica 1, 00133 Rome

2014-09-15

An innovative multilayer growth of InAs quantum dots on GaAs(100) is demonstrated to lead to self-aggregation of correlated quantum dot chains over mesoscopic distances. The fundamental idea is that at critical growth conditions is possible to drive the dot nucleation only at precise locations corresponding to the local minima of the Indium chemical potential. Differently from the known dot multilayers, where nucleation of new dots on top of the buried ones is driven by the surface strain originating from the dots below, here the spatial correlations and nucleation of additional dots are mostly dictated by a self-engineering of the surfacemore » occurring during the growth, close to the critical conditions for dot formation under the fixed oblique direction of the incoming As flux, that drives the In surface diffusion.« less

The dynamics of oceanic fronts. Part 1: The Gulf Stream

NASA Technical Reports Server (NTRS)

Kao, T. W.

1970-01-01

The establishment and maintenance of the mean hydrographic properties of large scale density fronts in the upper ocean is considered. The dynamics is studied by posing an initial value problem starting with a near surface discharge of buoyant water with a prescribed density deficit into an ambient stationary fluid of uniform density. The full time dependent diffusion and Navier-Stokes equations for a constant Coriolis parameter are used in this study. Scaling analysis reveals three independent length scales of the problem, namely a radius of deformation or inertial length scale, Lo, a buoyance length scale, ho, and a diffusive length scale, hv. Two basic dimensionless parameters are then formed from these length scales, the thermal (or more precisely, the densimetric) Rossby number, Ro = Lo/ho and the Ekman number, E = hv/ho. The governing equations are then suitably scaled and the resulting normalized equations are shown to depend on E alone for problems of oceanic interest. Under this scaling, the solutions are similar for all Ro. It is also shown that 1/Ro is a measure of the frontal slope. The governing equations are solved numerically and the scaling analysis is confirmed. The solution indicates that an equilibrium state is established. The front can then be rendered stationary by a barotropic current from a larger scale along-front pressure gradient. In that quasisteady state, and for small values of E, the main thermocline and the inclined isopycnics forming the front have evolved, together with the along-front jet. Conservation of potential vorticity is also obtained in the light water pool. The surface jet exhibits anticyclonic shear in the light water pool and cyclonic shear across the front.

Determination of axial and lateral exciton diffusion length in GaN by electron energy dependent cathodoluminescence

NASA Astrophysics Data System (ADS)

Hocker, Matthias; Maier, Pascal; Jerg, Lisa; Tischer, Ingo; Neusser, Gregor; Kranz, Christine; Pristovsek, Markus; Humphreys, Colin J.; Leute, Robert A. R.; Heinz, Dominik; Rettig, Oliver; Scholz, Ferdinand; Thonke, Klaus

2016-08-01

We demonstrate the application of low-temperature cathodoluminescence (CL) with high lateral, depth, and spectral resolution to determine both the lateral (i.e., perpendicular to the incident primary electron beam) and axial (i.e., parallel to the electron beam) diffusion length of excitons in semiconductor materials. The lateral diffusion length in GaN is investigated by the decrease of the GaN-related luminescence signal when approaching an interface to Ga(In)N based quantum well stripes. The axial diffusion length in GaN is evaluated from a comparison of the results of depth-resolved CL spectroscopy (DRCLS) measurements with predictions from Monte Carlo simulations on the size and shape of the excitation volume. The lateral diffusion length was found to be (95 ± 40) nm for nominally undoped GaN, and the axial exciton diffusion length was determined to be (150 ± 25) nm. The application of the DRCLS method is also presented on a semipolar (11 2 ¯ 2 ) sample, resulting in a value of (70 ± 10) nm in p-type GaN.

Length distributions of Au-catalyzed III-V nanowires in different regimes of the diffusion-induced growth

NASA Astrophysics Data System (ADS)

Berdnikov, Y.; Zhiglinsky, A. A.; Rylkova, M. V.; Dubrovskii, V. G.

2017-11-01

We present a model for kinetic broadening effects on the length distributions of Au-catalyzed III-V nanowires obtained in the growth regime with adatom diffusion from the substrate and the nanowire sidewalls to the top. We observe three different regimes for the length distribution evolution with time. For short growth times, the length distribution is sub-Poissonian, converting to broader than Poissonian with increasing the mean length above a certain threshold value. After the diffusion flux from the nanowire sidewalls has stabilized, the length distribution variance increases linearly with the mean length, as in the Poissonian process.

Proton Diffusion through Bilayer Pores

DOE PAGES

McDaniel, Jesse G.; Yethiraj, Arun

2017-09-26

The transport of protons through channels in complex environments is important in biology and materials science. In this work, we use multistate empirical valence bond simulations to study proton transport within a well-defined bilayer pore in a lamellar L β phase lyotropic liquid crystal (LLC). The LLC is formed from the self-assembly of dicarboxylate gemini surfactants in water, and a bilayer-spanning pore of radius of approximately 3–5 Å results from the uneven partitioning of surfactants between the two leaflets of the lamella. Local proton diffusion within the pore is significantly faster than diffusion at the bilayer surface, which is duemore » to the greater hydrophobicity of the surfactant/water interface within the pore. Proton diffusion proceeds by surface transport along exposed hydrophobic pockets at the surfactant/water interface and depends on the continuity of hydronium–water hydrogen bond networks. At the bilayer surface, there is a reduced fraction of the “Zundel” intermediates that are central to the Grotthuss transport mechanism, whereas the fraction of these species within the bilayer pore is similar to that in bulk water. Our results demonstrate that the chemical nature of the confining interface, in addition to confinement length scale, is an important determiner of local proton transport in nanoconfined aqueous environments.« less

Diffusion length variation and proton damage coefficients for InP/In(x)Ga(1-x)As/GaAs solar cells

NASA Technical Reports Server (NTRS)

Jain, R. K.; Weinberg, I.; Flood, D. J.

1993-01-01

Indium phosphide solar cells are more radiation resistant than gallium arsenide and silicon solar cells, and their growth by heteroepitaxy offers additional advantages leading to the development of lighter, mechanically strong and cost-effective cells. Changes in heteroepitaxial InP cell efficiency under 0.5 and 3 MeV proton irradiations are explained by the variation in the minority-carrier diffusion length. The base diffusion length versus proton fluence is calculated by simulating the cell performance. The diffusion length damage coefficient K(L) is plotted as a function of proton fluence.

Measurement of N-Type 6H SiC Minority-Carrier Diffusion Lengths by Electron Bombardment of Schottky Barriers

NASA Technical Reports Server (NTRS)

Hubbard, S. M.; Tabib-Azar, M.; Balley, S.; Rybickid, G.; Neudeck, P.; Raffaelle, R.

2004-01-01

Minority-Carrier diffusion lengths of n-type 6H-SiC were measured using the electron-beam induced current (EBIC) technique. Experimental values of primary beam current, EBIC, and beam voltage were obtained for a variety of SIC samples. This data was used to calculate experimental diode efficiency vs. beam voltage curves. These curves were fit to theoretically calculated efficiency curves, and the diffusion length and metal layer thickness were extracted. The hole diffusion length in n-6H SiC ranged from 0.93 +/- 0.15 microns.

Boundary conditions for diffusion in the pack-aluminizing of nickel.

NASA Technical Reports Server (NTRS)

Sivakumar, R.; Seigle, L. L.; Menon, N. B.

1973-01-01

The surface compositions of nickel specimens coated for various lengths of time in aluminizing packs at 2000 F were studied, in order to obtain information about the kinetics of the pack-cementation process in the formation of aluminide coatings. The results obtained indicate that the surface compositions of the coated nickel specimens are independent of time, at least for time between 0.5 and 20 hrs. Another important observation is that the specimens gained weight during the coating process.

Plasma channel created by ionization of gas by a surface wave

DOE Office of Scientific and Technical Information (OSTI.GOV)

Konovalov, V. N.; Kuz’min, G. P.; Minaev, I. M., E-mail: minaev1945@mail.ru

2015-09-15

Conditions for gas ionization in the field of a slow surface wave excited by a microwave source are considered. The gas ionization rate and the plasma density distribution over the radius of the discharge tube were studied by the optical method. The experiments were conducted in a dielectric tube with a radius much smaller than the tube length, the gas pressure being ∼1–3 Torr. It is shown that the stationary distribution of the plasma density is determined by diffusion processes.

Numerical study of centrifugal compressor stage vaneless diffusers

NASA Astrophysics Data System (ADS)

Galerkin, Y.; Soldatova, K.; Solovieva, O.

2015-08-01

The authors analyzed CFD calculations of flow in vaneless diffusers with relative width in range from 0.014 to 0.100 at inlet flow angles in range from 100 to 450 with different inlet velocity coefficients, Reynolds numbers and surface roughness. The aim is to simulate calculated performances by simple algebraic equations. The friction coefficient that represents head losses as friction losses is proposed for simulation. The friction coefficient and loss coefficient are directly connected by simple equation. The advantage is that friction coefficient changes comparatively little in range of studied parameters. Simple equations for this coefficient are proposed by the authors. The simulation accuracy is sufficient for practical calculations. To create the complete algebraic model of the vaneless diffuser the authors plan to widen this method of modeling to diffusers with different relative length and for wider range of Reynolds numbers.

Kinetics of oxygen interstitial injection and lattice exchange in rutile TiO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gorai, Prashun; Hollister, Alice G.; Pangan-Okimoto, Kristine

2014-05-12

The existence of a facile surface pathway for generation of O interstitials (O{sub i}) in rutile that can facilitate annihilation of O undesirable vacancies has been demonstrated recently. Through isotopic self-diffusion experiments, the present work determines a value of approximately 1.8 eV for the activation energy of O{sub i} injection from TiO{sub 2} (110). The mean path length for O{sub i} diffusion decreases by nearly an order of magnitude upon adsorption of 0.1 monolayer of sulfur. Sulfur apparently inhibits the surface annihilation rate of Ti interstitials, lowering their bulk concentration and the corresponding catalytic effect they seem to exert upon O{submore » i} exchange with the lattice.« less

Linear and nonlinear susceptibilities from diffusion quantum Monte Carlo: application to periodic hydrogen chains.

PubMed

Umari, P; Marzari, Nicola

2009-09-07

We calculate the linear and nonlinear susceptibilities of periodic longitudinal chains of hydrogen dimers with different bond-length alternations using a diffusion quantum Monte Carlo approach. These quantities are derived from the changes in electronic polarization as a function of applied finite electric field--an approach we recently introduced and made possible by the use of a Berry-phase, many-body electric-enthalpy functional. Calculated susceptibilities and hypersusceptibilities are found to be in excellent agreement with the best estimates available from quantum chemistry--usually extrapolations to the infinite-chain limit of calculations for chains of finite length. It is found that while exchange effects dominate the proper description of the susceptibilities, second hypersusceptibilities are greatly affected by electronic correlations. We also assess how different approximations to the nodal surface of the many-body wave function affect the accuracy of the calculated susceptibilities.

Kinetics of surfactant-mediated epitaxy of III-V semiconductors

NASA Astrophysics Data System (ADS)

Grandjean, N.; Massies, J.

1996-05-01

Surfactant-mediated epitaxy (SME) of III-V semiconductors is studied in the case of the GaAs(001) growth using Te as surfactant. To account for the strong surface segregation of Te, a phenomenological exchange mechanism is used. This process explains the reduction of the surface diffusion length evidenced by scanning tunneling microscopy (STM). However, this kinetics effect is observed only for restricted growth conditions: the As surface coverage should be sufficient to allow the exchange process. STM results as well as Monte Carlo simulations clearly show that the group-V element surface coverage plays a key role in the kinetics of SME of III-V semiconductors.

Diffusion length variation in 0.5- and 3-MeV-proton-irradiated, heteroepitaxial indium phosphide solar cells

NASA Technical Reports Server (NTRS)

Jain, Raj K.; Weinberg, Irving; Flood, Dennis J.

1993-01-01

Indium phosphide (InP) solar cells are more radiation resistant than gallium arsenide (GaAs) and silicon (Si) solar cells, and their growth by heteroepitaxy offers additional advantages leading to the development of light weight, mechanically strong, and cost-effective cells. Changes in heteroepitaxial InP cell efficiency under 0.5- and 3-MeV proton irradiations have been explained by the variation in the minority-carrier diffusion length. The base diffusion length versus proton fluence was calculated by simulating the cell performance. The diffusion length damage coefficient, K(sub L), was also plotted as a function of proton fluence.

Conceptual model for transport processes in the Culebra Dolomite Member, Rustler Formation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holt, R.M.

1997-08-01

The Culebra Dolomite Member of the Rustler Formation represents a possible pathway for contaminants from the Waste Isolation Pilot Plant underground repository to the accessible environment. The geologic character of the Culebra is consistent with a double-porosity, multiple-rate model for transport in which the medium is conceptualized as consisting of advective porosity, where solutes are carried by the groundwater flow, and fracture-bounded zones of diffusive porosity, where solutes move through slow advection or diffusion. As the advective travel length or travel time increases, the nature of transport within a double-porosity medium changes. This behavior is important for chemical sorption, becausemore » the specific surface area per unit mass of the diffusive porosity is much greater than in the advective porosity. Culebra transport experiments conducted at two different length scales show behavior consistent with a multiple-rate, double-porosity conceptual model for Culebra transport. Tracer tests conducted on intact core samples from the Culebra show no evidence of significant diffusion, suggesting that at the core scale the Culebra can be modeled as a single-porosity medium where only the advective porosity participates in transport. Field tracer tests conducted in the Culebra show strong double-porosity behavior that is best explained using a multiple-rate model.« less

Diffusion of drag-reducing polymer solutions within a rough-walled turbulent boundary layer

NASA Astrophysics Data System (ADS)

Elbing, Brian R.; Dowling, David R.; Perlin, Marc; Ceccio, Steven L.

2010-04-01

The influence of surface roughness on diffusion of wall-injected, drag-reducing polymer solutions within a turbulent boundary layer was studied with a 0.94 m long flat-plate test model at speeds of up to 10.6 m s-1 and Reynolds numbers of up to 9×106. The surface was hydraulically smooth, transitionally rough, or fully rough. Mean concentration profiles were acquired with planar laser induced fluorescence, which was the primary flow diagnostic. Polymer concentration profiles with high injection concentrations (≥1000 wppm) had the peak concentration shifted away from the wall, which was partially attributed to a lifting phenomenon. The diffusion process was divided into three zones—initial, intermediate, and final. Studies of polymer injection into a polymer ocean at concentrations sufficient for maximum drag reduction indicated that the maximum initial zone length is of the order of 100 boundary layer thicknesses. The intermediate zone results indicate that friction velocity and roughness height are important scaling parameters in addition to flow and injection conditions. Lastly, the current results were combined with those in Petrie et al. ["Polymer drag reduction with surface roughness in flat-plate turbulent boundary layer flow," Exp. Fluids 35, 8 (2003)] to demonstrate that the influence of polymer degradation increases with increased surface roughness.

Random walk on a leash: a simple single-molecule diffusion model for surface-tethered redox molecules with flexible linkers.

PubMed

Huang, Kuan-Chun; White, Ryan J

2013-08-28

We develop a random walk model to simulate the Brownian motion and the electrochemical response of a single molecule confined to an electrode surface via a flexible molecular tether. We use our simple model, which requires no prior knowledge of the physics of the molecular tether, to predict and better understand the voltammetric response of surface-confined redox molecules when motion of the redox molecule becomes important. The single molecule is confined to a hemispherical volume with a maximum radius determined by the flexible molecular tether (5-20 nm) and is allowed to undergo true three-dimensional diffusion. Distance- and potential-dependent electron transfer probabilities are evaluated throughout the simulations to generate cyclic voltammograms of the model system. We find that at sufficiently slow cyclic voltammetric scan rates the electrochemical reaction behaves like an adsorbed redox molecule with no mass transfer limitation; thus, the peak current is proportional to the scan rate. Conversely, at faster scan rates the diffusional motion of the molecule limits the simulated peak current, which exhibits a linear dependence on the square root of the scan rate. The switch between these two limiting regimes occurs when the diffusion layer thickness, (2Dt)(1/2), is ~10 times the tether length. Finally, we find that our model predicts the voltammetric behavior of a redox-active methylene blue tethered to an electrode surface via short flexible single-stranded, polythymine DNAs, allowing the estimation of diffusion coefficients for the end-tethered molecule.

Wind tunnel investigation of three axisymmetric cowls of different lengths at Mach numbers from 0.60 to 0.92

NASA Technical Reports Server (NTRS)

Re, Richard J.; Abeyounis, William K.

1993-01-01

Pressure distributions on three inlets having different cowl lengths were obtained in the Langley 16-Foot Transonic Tunnel. The cowl diameter ratio (highlight diameter to maximum diameter) was 0.85 and the cowl length ratios (cowl length to maximum diameter) were 0.337, 0.439, and 0.547. The cowls had identical nondimensionalized (with respect to cowl length) external geometry and identical internal geometry. The internal contraction ratio (highlight area to throat area) was 1.250. The inlets had longitudinal rows of static pressure orifices on the top and bottom (external) surfaces and on the contraction (internal) and diffuser surfaces. The afterbody was cylindrical in shape, and its diameter was equal to the maximum diameter of the cowl. Depending on the cowl configuration and free-stream Mach number, the mass-flow ratio varied between 0.27 and 0.87 during the tests. Angle of attack varied from 0 to 4.1 deg at selected Mach numbers and mass-flow ratios, and the Reynolds number varied with the Mach number from 3.2x10(exp 6) to 4.2x10(exp 6) per foot.

Measurement of Diffusion in Entangled Rod-Coil Triblock Copolymers

NASA Astrophysics Data System (ADS)

Olsen, B. D.; Wang, M.

2012-02-01

Although rod-coil block copolymers have attracted increasing attention for functional nanomaterials, their dynamics relevant to self-assembly and processing have not been widely investigated. Because the rod and coil blocks have different reptation behavior and persistence lengths, the mechanism by which block copolymers will diffuse is unclear. In order to understand the effect of the rigid block on reptation, tracer diffusion of a coil-rod-coil block copolymer through an entangled coil polymer matrix was experimentally measured. A monodisperse, high molecular weight coil-rod-coil triblock was synthesized using artificial protein engineering to prepare the helical rod and bioconjugaiton of poly(ethylene glycol) coils to produce the final triblock. Diffusion measurements were performed using Forced Rayleigh scattering (FRS), at varying ratios of the rod length to entanglement length, where genetic engineering is used to control the protein rod length and the polymer matrix concentration controls the entanglement length. As compared to PEO homopolymer tracers, the coil-rod-coil triblocks show markedly slower diffusion, suggesting that the mismatch between rod and coil reptation mechanisms results in hindered diffusion of these molecules in the entangled state.

Dependence of Ion Dynamics on the Polymer Chain Length in Poly(ethylene oxide)-Based Polymer Electrolytes.

PubMed

Chattoraj, Joyjit; Knappe, Marisa; Heuer, Andreas

2015-06-04

It is known from experiments that in the polymer electrolyte system, which contains poly(ethylene oxide) chains (PEO), lithium-cations (Li(+)), and bis(trifluoromethanesulfonyl)imide-anions (TFSI(-)), the cation and the anion diffusion and the ionic conductivity exhibit a similar chain-length dependence: with increasing chain length, they start dropping steadily, and later, they saturate to constant values. These results are surprising because Li-cations are strongly correlated with the polymer chains, whereas TFSI-anions do not have such bonding. To understand this phenomenon, we perform molecular dynamics simulations of this system for four different polymer chain lengths. The diffusion results obtained from our simulations display excellent agreement with the experimental data. The cation transport model based on the Rouse dynamics can successfully quantify the Li-diffusion results, which correlates Li diffusion with the polymer center-of-mass motion and the polymer segmental motion. The ionic conductivity as a function of the chain length is then estimated based on the chain-length-dependent ion diffusion, which shows a temperature-dependent deviation for short chain lengths. We argue that in the first regime, counterion correlations modify the conductivity, whereas for the long chains, the system behaves as a strong electrolyte.

Theoretical Relationships between Luminescence and Hillslope Soil Vertical Diffusivity: a Numerical Modeling Approach

NASA Astrophysics Data System (ADS)

Gray, H. J.; Tucker, G. E.; Mahan, S.

2017-12-01

Luminescence is a property of matter that can be used to obtain depositional ages from fine sand. Luminescence generates due to exposure to background ionizing radiation and is removed by sunlight exposure in a process known as bleaching. There is evidence to suggest that luminescence can also serve as a sediment tracer in fluvial and hillslope environments. For hillslope environments, it has been suggested that the magnitude of luminescence as a function of soil depth is related to the strength of soil mixing. Hillslope soils with a greater extent of mixing will have previously surficial sand grains moved to greater depths in a soil column. These previously surface-exposed grains will contain a lower luminescence than those which have never seen the surface. To attempt to connect luminescence profiles with soil mixing rate, here defined as the soil vertical diffusivity, I conduct numerical modelling of particles in hillslope soils coupled with equations describing the physics of luminescence. I use recently published equations describing the trajectories of particles under both exponential and uniform soil velocity soils profiles and modify them to include soil diffusivity. Results from the model demonstrates a strong connection between soil diffusivity and luminescence. Both the depth profiles of luminescence and the total percent of surface exposed grains will change drastically based on the magnitude of the diffusivity. This suggests that luminescence could potentially be used to infer the magnitude of soil diffusivity. However, I test other variables such as the soil production rate, e-folding length of soil velocity, background dose rate, and soil thickness, and I find these other variables can also affect the relationship between luminescence and diffusivity. This suggests that these other variables may need to be constrained prior to any inferences of soil diffusivity from luminescence measurements. Further field testing of the model in areas where the soil vertical diffusivity and other parameters are independently known will provide a test of this potential new method.

Dynamics of the spatial structure of pulsed discharges in dense gases in point cathode−plane anode gaps and their erosion effect on the plane electrode surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baksht, E. Kh.; Blinova, O. M.; Erofeev, M. V., E-mail: mve@loi.hcei.tsc.ru

2016-09-15

The dynamics of the spatial structure of the plasma of pulsed discharges in air and nitrogen in a nonuniform electric field and their erosion effect on the plane anode surface were studied experimentally. It is established that, at a nanosecond front of the voltage pulse, a diffuse discharge forms in the point cathode–plane anode gap due to the ionization wave propagating from the cathode. As the gap length decreases, the diffuse discharge transforms into a spark. A bright spot on the anode appears during the diffuse discharge, while the spark channel forms in the later discharge stage. The microstructure ofmore » autographs of anode spots and spark channels in discharges with durations of several nanoseconds is revealed. The autographs consist of up to 100 and more microcraters 5–100 μm in diameter. It is shown that, due to the short duration of the voltage pulse, a diffuse discharge can be implemented, several pulses of which do not produce appreciable erosion on the plane anode or the soot coating deposited on it.« less

Path-length-resolved dynamic light scattering in highly scattering random media: The transition to diffusing wave spectroscopy

NASA Astrophysics Data System (ADS)

Bizheva, Kostadinka K.; Siegel, Andy M.; Boas, David A.

1998-12-01

We used low coherence interferometry to measure Brownian motion within highly scattering random media. A coherence gate was applied to resolve the optical path-length distribution and to separate ballistic from diffusive light. Our experimental analysis provides details on the transition from single scattering to light diffusion and its dependence on the system parameters. We found that the transition to the light diffusion regime occurs at shorter path lengths for media with higher scattering anisotropy or for larger numerical aperture of the focusing optics.

Viscous diffusion of vorticity in unsteady wall layers using the diffusion velocity concept

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strickland, J.H.; Kempka, S.N.; Wolfe, W.P.

1995-03-01

The primary purpose of this paper is to provide a careful evaluation of the diffusion velocity concept with regard to its ability to predict the diffusion of vorticity near a moving wall. A computer code BDIF has been written which simulates the evolution of the vorticity field near a wall of infinite length which is moving in an arbitrary fashion. The simulations generated by this code are found to give excellent results when compared to several exact solutions. We also outline a two-dimensional unsteady viscous boundary layer model which utilizes the diffusion velocity concept and is compatible with vortex methods.more » A primary goal of this boundary layer model is to minimize the number of vortices generated on the surface at each time step while achieving good resolution of the vorticity field near the wall. Preliminary results have been obtained for simulating a simple two-dimensional laminar boundary layer.« less

In Situ Neutron Diffraction of Rare-Earth Phosphate Proton Conductors Sr/Ca-doped LaPO4 at Elevated Temperatures

NASA Astrophysics Data System (ADS)

Al-Wahish, Amal; Al-Binni, Usama; Bridges, C. A.; Huq, A.; Bi, Z.; Paranthaman, M. P.; Tang, S.; Kaiser, H.; Mandrus, D.

Acceptor-doped lanthanum orthophosphates are potential candidate electrolytes for proton ceramic fuel cells. We combined neutron powder diffraction (NPD) at elevated temperatures up to 800° C , X-ray powder diffraction (XRD) and scanning electron microscopy (SEM) to investigate the crystal structure, defect structure, thermal stability and surface topography. NPD shows an average bond length distortion in the hydrated samples. We employed Quasi-Elastic Neutron Scattering (QENS) and electrochemical impedance spectroscopy (EIS) to study the proton dynamics of the rare-earth phosphate proton conductors 4.2% Sr/Ca-doped LaPO4. We determined the bulk diffusion and the self-diffusion coefficients. Our results show that QENS and EIS are probing fundamentally different proton diffusion processes. Supported by the U.S. Department of Energy.

Bonding thermoplastic polymers

DOEpatents

Wallow, Thomas I [Fremont, CA; Hunter, Marion C [Livermore, CA; Krafcik, Karen Lee [Livermore, CA; Morales, Alfredo M [Livermore, CA; Simmons, Blake A [San Francisco, CA; Domeier, Linda A [Danville, CA

2008-06-24

We demonstrate a new method for joining patterned thermoplastic parts into layered structures. The method takes advantage of case-II permeant diffusion to generate dimensionally controlled, activated bonding layers at the surfaces being joined. It is capable of producing bonds characterized by cohesive failure while preserving the fidelity of patterned features in the bonding surfaces. This approach is uniquely suited to production of microfluidic multilayer structures, as it allows the bond-forming interface between plastic parts to be precisely manipulated at micrometer length scales. The bond enhancing procedure is easily integrated in standard process flows and requires no specialized equipment.

Deposition and characterization of ZnS/Si heterojunctions produced by vacuum evaporation

NASA Technical Reports Server (NTRS)

Landis, Geoffrey A.; Loferski, Joseph J.; Beaulieu, Roland

1988-01-01

Isotype heterojunctions of ZnS (lattice constant 5.41 A) were grown on silicon (lattice constant 5.43 A) p-n junctions to form a minority-carrier mirror. The deposition process was vacuum evaporation from a ZnS powder source onto a heated (450 C) substrate. Both planar (100) and textured (111) surfaces were used. A reduction of the minority-carrier recombination at the surface was seen from increased short-wavelength quantum response and increased illuminated open-circuit voltage. The minority-carrier diffusion length was not degraded by the process.

Triplet exciton diffusion in fac-tris(2-phenylpyridine) iridium(III)-cored electroluminescent dendrimers

NASA Astrophysics Data System (ADS)

Namdas, Ebinazar B.; Ruseckas, Arvydas; Samuel, Ifor D. W.; Lo, Shih-Chun; Burn, Paul L.

2005-02-01

We have studied triplet-triplet annihilation in neat films of electrophosphorescent fac-tris(2-phenylpyridine) iridium(III) [Ir(ppy)3]-cored dendrimers containing phenylene- and carbazole-based dendrons with 2-ethylhexyloxy surface groups using time-resolved photoluminescence. From measured annihilation rates, the limiting current densities above which annihilation would dominate in dendrimer light-emitting devices are found to be >1A/cm2. The triplet exciton diffusion length varies in the range of 2-10 nm depending on the dendron size. The distance dependence of the nearest-neighbor hopping rate shows that energy transfer is dominated by the exchange mechanism.

Spatial Variation in Mobility-Lifetime Product in Bulk TlBr and CZT

NASA Astrophysics Data System (ADS)

Phillips, David; Haegel, Nancy; Blaine, Kevin; Kim, Hadong; Ciampi, Guido; Cirignano, Len

2012-02-01

The energy resolution of a semiconductor radiation detector depends on the charge transport properties of the semiconductor, and the mobility-lifetime (μτ) product is a key figure of merit for charge transport. In this work, we investigate the effects of two impurities, Na and Cu, on the μτ product in bulk thallium bromide (TlBr) using cathodoluminescence (CL) and transport imaging. Transport imaging uses a scanning electron microscope to generate a line of charge carriers on the surface of a bulk sample, and the intensity and spatial distribution of the recombination luminescence are recorded. A Green's function approach is used to model the generation, diffusion, and recombination of charge carriers under steady-state conditions. The luminescence distribution is fit to the model to extract the ambipolar diffusion length and the μτ product, providing a high-resolution correlation between the luminescence variations due to dopants/defects and the quantitative transport behavior. The μτ product has been mapped across a 40 μm segment of TlBr at a resolution of 2 μm. Additionally, this approach has been used to locally map variations in ambipolar diffusion length and μτ product due to extended defects in cadmium zinc telluride (CZT).

Measurement of Minority Charge Carrier Diffusion Length in Gallium Nitride Nanowires Using Electron Beam Induced Current (EBIC)

DTIC Science & Technology

2009-12-01

MINORITY CHARGE CARRIER DIFFUSION LENGTH IN GALLIUM NITRIDE NANOWIRES USING ELECTRON BEAM INDUCED CURRENT (EBIC) by Chiou Perng Ong December... Gallium Nitride Nanowires Using Electron Beam Induced Current (EBIC) 6. AUTHOR(S) Ong, Chiou Perng 5. FUNDING NUMBERS DMR 0804527 7. PERFORMING...CARRIER DIFFUSION LENGTH IN GALLIUM NITRIDE NANOWIRES USING ELECTRON BEAM INDUCED CURRENT (EBIC) Chiou Perng Ong Major, Singapore Armed Forces B

Near Field Imaging of Charge Transport in Gallium Nitride and Zinc Oxide Nanostructures

DTIC Science & Technology

2010-12-01

distribution of recombination luminescence . While researching the diffusion lengths of these structures, the author also observed that many of these... diffusion length of these structures can be extracted. E. NEAR FIELD IMAGING WITH NEAR FIELD SCANNING OPTICAL MICROSCOPY Near field scanning optical...composite AFM/NSOM images and the slope analysis to extract Ld, the minority carrier diffusion length , as described in Chapter 3. In all cases, excitation

Determination of charge-carrier diffusion length in the photosensing layer of HgCdTe n-on-p photovoltaic infrared focal plane array detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vishnyakov, A. V.; Stuchinsky, V. A., E-mail: stuchin@isp.nsc.ru; Brunev, D. V.

2014-03-03

In the present paper, we propose a method for evaluating the bulk diffusion length of minority charge carriers in the photosensing layer of photovoltaic focal plane array (FPA) photodetectors. The method is based on scanning a strip-shaped illumination spot with one of the detector diodes at a low level of photocurrents j{sub ph} being registered; such scanning provides data for subsequent analysis of measured spot-scan profiles within a simple diffusion model. The asymptotic behavior of the effective (at j{sub ph} ≠ 0) charge-carrier diffusion length l{sub d} {sub eff} as a function of j{sub ph} for j{sub ph} → 0 inferred frommore » our experimental data proved to be consistent with the behavior of l{sub d} {sub eff} vs j{sub ph} as predicted by the model, while the obtained values of the bulk diffusion length of minority carriers (electrons) in the p-HgCdTe film of investigated HgCdTe n-on-p FPA photodetectors were found to be in a good agreement with the previously reported carrier diffusion-length values for HgCdTe.« less

New high-efficiency silicon solar cells

NASA Technical Reports Server (NTRS)

Daud, T.; Crotty, G. T.

1985-01-01

A design for silicon solar cells was investigated as an approach to increasing the cell open-circuit voltage and efficiency for flat-plate terrestrial photovoltaic applications. This deviates from past designs, where either the entire front surface of the cell is covered by a planar junction or the surface is textured before junction formation, which results in an even greater (up to 70%) junction area. The heavily doped front region and the junction space charge region are potential areas of high recombination for generated and injected minority carriers. The design presented reduces junction area by spreading equidiameter dot junctions across the surface of the cell, spaced about a diffusion length or less from each other. Various dot diameters and spacings allowed variations in total junction area. A simplified analysis was done to obtain a first-order design optimization. Efficiencies of up to 19% can be obtained. Cell fabrication involved extra masking steps for selective junction diffusion, and made surface passivation a key element in obtaining good collection. It also involved photolithography, with line widths down to microns. A method is demonstrated for achieving potentially high open-circuit voltages and solar-cell efficiencies.

Measurement of radon diffusion in polyethylene based on alpha detection

NASA Astrophysics Data System (ADS)

Rau, Wolfgang

2012-02-01

Radon diffusion in different materials has been measured in the past. Usually the diffusion measurements are based on a direct determination of the amount of radon that diffuses through a thin layer of material. Here we present a method based on the measurement of the radon daughter products which are deposited inside the material. Looking at the decay of 210Po allows us to directly measure the exponential diffusion profile characterized by the diffusion length. In addition we can determine the solubility of radon in PE. We also describe a second method to determine the diffusion constant based on the short-lived radon daughter products 218Po and 214Po, using the identical experimental setup. Measurements for regular polyethylene (PE) and High Molecular Weight Polyethylene (HMWPE) yielded diffusion lengths of (1.3±0.3) mm and (0.8±0.2) mm and solubilities of 0.5±0.1 and 0.7±0.2, respectively, for the first method; the diffusion lengths extracted from the second method are noticeably larger which may be caused by different experimental conditions during diffusion.

Fractal Theory and Field Cover Experiments: Implications for the Fractal Characteristics and Radon Diffusion Behavior of Soils and Rocks.

PubMed

Tan, Wanyu; Li, Yongmei; Tan, Kaixuan; Duan, Xianzhe; Liu, Dong; Liu, Zehua

2016-12-01

Radon diffusion and transport through different media is a complex process affected by many factors. In this study, the fractal theories and field covering experiments were used to study the fractal characteristics of particle size distribution (PSD) of six kinds of geotechnical materials (e.g., waste rock, sand, laterite, kaolin, mixture of sand and laterite, and mixture of waste rock and laterite) and their effects on radon diffusion. In addition, the radon diffusion coefficient and diffusion length were calculated. Moreover, new formulas for estimating diffusion coefficient and diffusion length functional of fractal dimension d of PSD were proposed. These results demonstrate the following points: (1) the fractal dimension d of the PSD can be used to characterize the property of soils and rocks in the studies of radon diffusion behavior; (2) the diffusion coefficient and diffusion length decrease with increasing fractal dimension of PSD; and (3) the effectiveness of final covers in reducing radon exhalation of uranium tailings impoundments can be evaluated on the basis of the fractal dimension of PSD of materials.

Continuum modelling of segregating tridisperse granular chute flow

NASA Astrophysics Data System (ADS)

Deng, Zhekai; Umbanhowar, Paul B.; Ottino, Julio M.; Lueptow, Richard M.

2018-03-01

Segregation and mixing of size multidisperse granular materials remain challenging problems in many industrial applications. In this paper, we apply a continuum-based model that captures the effects of segregation, diffusion and advection for size tridisperse granular flow in quasi-two-dimensional chute flow. The model uses the kinematics of the flow and other physical parameters such as the diffusion coefficient and the percolation length scale, quantities that can be determined directly from experiment, simulation or theory and that are not arbitrarily adjustable. The predictions from the model are consistent with experimentally validated discrete element method (DEM) simulations over a wide range of flow conditions and particle sizes. The degree of segregation depends on the Péclet number, Pe, defined as the ratio of the segregation rate to the diffusion rate, the relative segregation strength κij between particle species i and j, and a characteristic length L, which is determined by the strength of segregation between smallest and largest particles. A parametric study of particle size, κij, Pe and L demonstrates how particle segregation patterns depend on the interplay of advection, segregation and diffusion. Finally, the segregation pattern is also affected by the velocity profile and the degree of basal slip at the chute surface. The model is applicable to different flow geometries, and should be easily adapted to segregation driven by other particle properties such as density and shape.

Electron-hole diffusion lengths >175 μm in solution-grown CH 3NH 3PbI 3 single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan

Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH 3NH 3PbI 3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH 3NH 3PbI 3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm –2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smallermore » trap densities in the single crystals than in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH 3NH 3PbI 3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

Electron-hole diffusion lengths >175 μm in solution-grown CH 3NH 3PbI 3 single crystals

DOE PAGES

Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; ...

2015-02-27

Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH 3NH 3PbI 3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH 3NH 3PbI 3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm –2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smallermore » trap densities in the single crystals than in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH 3NH 3PbI 3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

Theoretical and experimental investigation of near-infrared light propagation in a model of the adult head.

PubMed

Okada, E; Firbank, M; Schweiger, M; Arridge, S R; Cope, M; Delpy, D T

1997-01-01

Near-infrared light propagation in various models of the adult head is analyzed by both time-of-flight measurements and mathematical prediction. The models consist of three- or four-layered slabs, the latter incorporating a clear cerebrospinal fluid (CSF) layer. The most sophisticated model also incorporates slots that imitate sulci on the brain surface. For each model, the experimentally measured mean optical path length as a function of source-detector spacing agrees well with predictions from either a Monte Carlo model or a finite-element method based on diffusion theory or a hybrid radiosity-diffusion theory. Light propagation in the adult head is shown to be highly affected by the presence of the clear CSF layer, and both the optical path length and the spatial sensitivity profile of the models with a CSF layer are quite different from those without the CSF layer. However, the geometry of the sulci and the boundary between the gray and the white matter have little effect on the detected light distribution.

Ship Wakes Generated in a Diffuse Internal Layer

DTIC Science & Technology

2015-01-01

can enhance wake detectability by increasing the surface flows. One example is the reflection of natural waves from a ship hull. A wave carries...be observed using satellite borne optical sensors and high resolution radar. Their existence implies the presence of significant internal layers. The...The principal factors associated with the ship appear to be its principal dimensions (length, beam and draft), its block coefficient and its speed

Dynamic Scaling and Island Growth Kinetics in Pulsed Laser Deposition of SrTiO 3

DOE PAGES

Eres, Gyula; Tischler, J. Z.; Rouleau, C. M.; ...

2016-11-11

We use real-time diffuse surface x-ray diffraction to probe the evolution of island size distributions and its effects on surface smoothing in pulsed laser deposition (PLD) of SrTiO 3. In this study, we show that the island size evolution obeys dynamic scaling and two distinct regimes of island growth kinetics. Our data show that PLD film growth can persist without roughening despite thermally driven Ostwald ripening, the main mechanism for surface smoothing, being shut down. The absence of roughening is concomitant with decreasing island density, contradicting the prevailing view that increasing island density is the key to surface smoothing inmore » PLD. We also report a previously unobserved crossover from diffusion-limited to attachment-limited island growth that reveals the influence of nonequilibrium atomic level surface transport processes on the growth modes in PLD. We show by direct measurements that attachment-limited island growth is the dominant process in PLD that creates step flowlike behavior or quasistep flow as PLD “self-organizes” local step flow on a length scale consistent with the substrate temperature and PLD parameters.« less

Dynamic Scaling and Island Growth Kinetics in Pulsed Laser Deposition of SrTiO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eres, Gyula; Tischler, J. Z.; Rouleau, C. M.

We use real-time diffuse surface x-ray diffraction to probe the evolution of island size distributions and its effects on surface smoothing in pulsed laser deposition (PLD) of SrTiO 3. In this study, we show that the island size evolution obeys dynamic scaling and two distinct regimes of island growth kinetics. Our data show that PLD film growth can persist without roughening despite thermally driven Ostwald ripening, the main mechanism for surface smoothing, being shut down. The absence of roughening is concomitant with decreasing island density, contradicting the prevailing view that increasing island density is the key to surface smoothing inmore » PLD. We also report a previously unobserved crossover from diffusion-limited to attachment-limited island growth that reveals the influence of nonequilibrium atomic level surface transport processes on the growth modes in PLD. We show by direct measurements that attachment-limited island growth is the dominant process in PLD that creates step flowlike behavior or quasistep flow as PLD “self-organizes” local step flow on a length scale consistent with the substrate temperature and PLD parameters.« less

ARC-1979-A79-7093

NASA Image and Video Library

1979-07-09

Range : 225,000 kilometers (140,625 miles) This image of the Jovian moon Europa was taken by Voyager 2 along the evening terminator, which best shows the surface topography of complex narrow ridges, seen as curved bright streaks, 5 to 10 kilometers wide, and typically 100 kilometers in length. The area shown is about 600 by 800 kilometers, and the smallest features visible are about 4 kilometers in size. Also visable are dark bands, more diffused in character, 20 to 40 kilometers wide and hundreds to thousands of kilometers in length. A few features are suggestive of impact craters but are rare, indication that the surface thought to be dominantly ice is still active, perhaps warmed by tidal heating like Io. The larger icy satellites, Callisto and Ganymede, are evidently colder with much more rigid crusts and ancient impact craters. The complex intersection of dark markings and bright ridges suggest that the surface has been fractured and material from beneath has welled up to fill the cracks.

Assessment of passive muscle elongation using Diffusion Tensor MRI: Correlation between fiber length and diffusion coefficients.

PubMed

Mazzoli, Valentina; Oudeman, Jos; Nicolay, Klaas; Maas, Mario; Verdonschot, Nico; Sprengers, Andre M; Nederveen, Aart J; Froeling, Martijn; Strijkers, Gustav J

2016-12-01

In this study we investigated the changes in fiber length and diffusion parameters as a consequence of passive lengthening and stretching of the calf muscles. We hypothesized that changes in radial diffusivity (RD) are caused by changes in the muscle fiber cross sectional area (CSA) as a consequence of lengthening and shortening of the muscle. Diffusion Tensor MRI (DT-MRI) measurements were made twice in five healthy volunteers, with the foot in three different positions (30° plantarflexion, neutral position and 15° dorsiflexion). The muscles of the calf were manually segmented on co-registered high resolution anatomical scans, and maps of RD and axial diffusivity (AD) were reconstructed from the DT-MRI data. Fiber tractography was performed and mean fiber length was calculated for each muscle group. Significant negative correlations were found between the changes in RD and changes in fiber length in the dorsiflexed and plantarflexed positions, compared with the neutral foot position. Changes in AD did not correlate with changes in fiber length. Assuming a simple cylindrical model with constant volume for the muscle fiber, the changes in the muscle fiber CSA were calculated from the changes in fiber length. In line with our hypothesis, we observed a significant positive correlation of the CSA with the measured changes in RD. In conclusion, we showed that changes in diffusion coefficients induced by passive muscle stretching and lengthening can be explained by changes in muscle CSA, advancing the physiological interpretation of parameters derived from skeletal muscle DT-MRI. Copyright © 2016 John Wiley & Sons, Ltd.

THE DIFFUSION LENGTH OF THERMAL NEUTRONS IN PORTLAND CONCRETE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dugdale, R.A.; Healy, E.

1957-10-01

A measurement of the diffusion length of thermal neutrons in Portland concrete, originally raade by Salmon two years previously, has been repeated. An apparent decrease from 7.04 cm to 6.61 cm has oocurred. This change, which is only four times the standard deviation of the result, could be due to a small increase in water content. In assessing the amount required, a discrepancy between calculated and measured diffusion length was found. Possible explanations of the discrepancy are discussed. (auth)

Transport Imaging of Spatial Distribution of Mobility-Lifetime (Micro Tau) Product in Bulk Semiconductors for Nuclear Radiation Detection

DTIC Science & Technology

2012-06-01

the diffusion length L and the mobility-lifetime product  from the luminescence distribution using the 2D model for transport imaging in bulk...C. Scandrett, and N. M. Haegel, “Three-dimensional transport imaging for the spatially resolved determination of carrier diffusion length in bulk...that allows measurements of the diffusion length and extraction of the  product in luminescent materials without the need for device processing

Effective defect diffusion lengths in Ar-ion bombarded 3C-SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bayu Aji, L. B.; Wallace, J. B.; Shao, L.

Above room temperature, SiC exhibits pronounced processes of diffusion and interaction of radiation-generated point defects. Here, we use the recently developed pulsed ion beam method to measure effective defect diffusion lengths in 3C-SiC bombarded in the temperature range of 25–200 °C with 500 keV Ar ions. Results reveal a diffusion length of ~10 nm, which exhibits a weak temperature dependence, changing from 9 to 13 nm with increasing temperature. Lastly, these results have important implications for understanding and predicting radiation damage in SiC and for the development of radiation-resistant materials via interface-mediated defect reactions.

Effective defect diffusion lengths in Ar-ion bombarded 3C-SiC

DOE PAGES

Bayu Aji, L. B.; Wallace, J. B.; Shao, L.; ...

2016-04-14

Above room temperature, SiC exhibits pronounced processes of diffusion and interaction of radiation-generated point defects. Here, we use the recently developed pulsed ion beam method to measure effective defect diffusion lengths in 3C-SiC bombarded in the temperature range of 25–200 °C with 500 keV Ar ions. Results reveal a diffusion length of ~10 nm, which exhibits a weak temperature dependence, changing from 9 to 13 nm with increasing temperature. Lastly, these results have important implications for understanding and predicting radiation damage in SiC and for the development of radiation-resistant materials via interface-mediated defect reactions.

Experimental measurement of coil-rod-coil block copolymer tracer diffusion through entangled coil homopolymers

PubMed Central

Wang, Muzhou; Timachova, Ksenia; Olsen, Bradley D.

2014-01-01

The diffusion of coil-rod-coil triblock copolymers in entangled coil homopolymers is experimentally measured and demonstrated to be significantly slower than rod or coil homopolymers of the same molecular weight. A model coil-rod-coil triblock was prepared by expressing rodlike alanine-rich α-helical polypeptides in E. coli and conjugating coillike poly(ethylene oxide) (PEO) to both ends to form coil-rod-coil triblock copolymers. Tracer diffusion through entangled PEO homopolymer melts was measured using forced Rayleigh scattering at various rod lengths, coil molecular weights, and coil homopolymer concentrations. For rod lengths, L, that are close to the entanglementh length, a, the ratio between triblock diffusivity and coil homopolymer diffusivity decreases monotonically and is only a function of L/a, in quantitative agreement with previous simulation results. For large rod lengths, diffusion follows an arm retraction scaling, which is also consistent with previous theoretical predictions. These experimental results support the key predictions of theory and simulation, suggesting that the mismatch in curvature between rod and coil entanglement tubes leads to the observed diffusional slowing. PMID:25484454

Diffusion-limited mixing by incompressible flows

NASA Astrophysics Data System (ADS)

Miles, Christopher J.; Doering, Charles R.

2018-05-01

Incompressible flows can be effective mixers by appropriately advecting a passive tracer to produce small filamentation length scales. In addition, diffusion is generally perceived as beneficial to mixing due to its ability to homogenize a passive tracer. However we provide numerical evidence that, in cases where advection and diffusion are both actively present, diffusion may produce negative effects by limiting the mixing effectiveness of incompressible optimal flows. This limitation appears to be due to the presence of a limiting length scale given by a generalised Batchelor length (Batchelor 1959 J. Fluid Mech. 5 113–33). This length scale limitation may in turn affect long-term mixing rates. More specifically, we consider local-in-time flow optimisation under energy and enstrophy flow constraints with the objective of maximising the mixing rate. We observe that, for enstrophy-bounded optimal flows, the strength of diffusion may not impact the long-term mixing rate. For energy-constrained optimal flows, however, an increase in the strength of diffusion can decrease the mixing rate. We provide analytical lower bounds on mixing rates and length scales achievable under related constraints (point-wise bounded speed and rate-of-strain) by extending the work of Lin et al (2011 J. Fluid Mech. 675 465–76) and Poon (1996 Commun. PDE 21 521–39).

Role of substrate in the surface diffusion and kinetic roughening of nanocrystallised nickel electrodeposits

NASA Astrophysics Data System (ADS)

Nzoghe-Mendome, L.; Aloufy, A.; Ebothé, J.; El Messiry, M.; Hui, D.

2009-02-01

The surface growth and roughening of nano-crystallised Ni electrodeposits prepared at the same conditions have been studied on Cu, Au and ITO substrates. The Ni films obtained are characterised by the same face-centred cubic structure with a texture affected by the substrate chemical nature. Practically, the same small-sized grains of 83 nm mean height depicting a statistical mono-mode feature grow on Cu. A three-modal feature corresponding to the biggest and compact crystallites of 335, 368 and 400 nm mean height is obtained with Au. Two typical modes, respectively, linked to isolated big crystallites of 343 nm mean height and large zones of small grains of 170 nm height, result from the ITO effect. The surface transport properties of Ni ad-atoms on each substrate have been studied from the theoretical approach including the film global roughness measured by AFM. It is shown that the ad-atom diffusion coefficients ( D s) ranged in the interval 10 -10-10 -9 cm 2 s -1 are greatly affected by the non-equilibrium conditions of the film formation. Cu and ITO, respectively, lead to Λ s=11.92 and 14.30 nm, while the higher D s value and diffusion length Λ s=37.32 nm are obtained with Au substrate.

Exciton diffusion coefficient measurement in ZnO nanowires under electron beam irradiation.

PubMed

Donatini, Fabrice; Pernot, Julien

2018-03-09

In semiconductor nanowires (NWs) the exciton diffusion coefficient can be determined using a scanning electron microscope fitted with a cathodoluminescence system. High spatial and temporal resolution cathodoluminescence experiments are needed to measure independently the exciton diffusion length and lifetime in single NWs. However, both diffusion length and lifetime can be affected by the electron beam bombardment during observation and measurement. Thus, in this work the exciton lifetime in a ZnO NW is measured versus the electron beam dose (EBD) via a time-resolved cathodoluminescence experiment with a temporal resolution of 50 ps. The behavior of the measured exciton lifetime is consistent with our recent work on the EBD dependence of the exciton diffusion length in similar NWs investigated under comparable SEM conditions. Combining the two results, the exciton diffusion coefficient in ZnO is determined at room temperature and is found constant over the full span of EBD.

Structure-specific magnetic field inhomogeneities and its effect on the correlation time.

PubMed

Ziener, Christian H; Bauer, Wolfgang R; Melkus, Gerd; Weber, Thomas; Herold, Volker; Jakob, Peter M

2006-12-01

We describe the relationship between the correlation time and microscopic spatial inhomogeneities in the static magnetic field. The theory takes into account diffusion of nuclear spins in the inhomogeneous field created by magnetized objects. A simple general expression for the correlation time is obtained. It is shown that the correlation time is dependent on a characteristic length, the diffusion coefficient of surrounding medium, the permeability of the surface and the volume fraction of the magnetized objects. For specific geometries (spheres and cylinders), exact analytical expressions for the correlation time are given. The theory can be applied to contrast agents (magnetically labeled cells), capillary network, BOLD effect and so forth.

Method for making defect-free zone by laser-annealing of doped silicon

DOEpatents

Narayan, Jagdish; White, Clark W.; Young, Rosa T.

1980-01-01

This invention is a method for improving the electrical properties of silicon semiconductor material. The method comprises irradiating a selected surface layer of the semiconductor material with high-power laser pulses characterized by a special combination of wavelength, energy level, and duration. The combination effects melting of the layer without degrading electrical properties, such as minority-carrier diffusion length. The method is applicable to improving the electrical properties of n- and p-type silicon which is to be doped to form an electrical junction therein. Another important application of the method is the virtually complete removal of doping-induced defects from ion-implanted or diffusion-doped silicon substrates.

External self-gettering of nickel in float zone silicon wafers

NASA Astrophysics Data System (ADS)

Gay, N.; Martinuzzi, S.

1997-05-01

During indiffusion of Ni atoms in silicon crystals at 950 °C from a nickel layer source, Ni-Si alloys can be formed close to the surface. Metal solubility in these alloys is higher than in silicon, which induces a marked segregation gettering of the Ni atoms which have diffused in the bulk of the wafers. Consequently, the regions of the wafers covered with the Ni layer are less contaminated than adjacent regions in which Ni atoms have also penetrated, as shown by the absence of precipitates and the higher diffusion length of minority carriers. The results suggest the existence of external self-gettering of Ni atoms by the nickel source.

Enhancement of Water Evaporation on Solid Surfaces with Nanoscale Hydrophobic-Hydrophilic Patterns.

PubMed

Wan, Rongzheng; Wang, Chunlei; Lei, Xiaoling; Zhou, Guoquan; Fang, Haiping

2015-11-06

Using molecular dynamics simulations, we show that the evaporation of nanoscale water on hydrophobic-hydrophilic patterned surfaces is unexpectedly faster than that on any surfaces with uniform wettability. The key to this phenomenon is that, on the patterned surface, the evaporation rate from the hydrophilic region only slightly decreases due to the correspondingly increased water thickness; meanwhile, a considerable number of water molecules evaporate from the hydrophobic region despite the lack of water film. Most of the evaporated water from the hydrophobic region originates from the hydrophilic region by diffusing across the contact lines. Further analysis shows that the evaporation rate from the hydrophobic region is approximately proportional to the total length of the contact lines.

Carbon-Based Honeycomb Monoliths for Environmental Gas-Phase Applications

PubMed Central

Moreno-Castilla, Carlos; Pérez-Cadenas, Agustín F.

2010-01-01

Honeycomb monoliths consist of a large number of parallel channels that provide high contact efficiencies between the monolith and gas flow streams. These structures are used as adsorbents or supports for catalysts when large gas volumes are treated, because they offer very low pressure drop, short diffusion lengths and no obstruction by particulate matter. Carbon-based honeycomb monoliths can be integral or carbon-coated ceramic monoliths, and they take advantage of the versatility of the surface area, pore texture and surface chemistry of carbon materials. Here, we review the preparation methods of these monoliths, their characteristics and environmental applications.

Fast and long-range triplet exciton diffusion in metal-organic frameworks for photon upconversion at ultralow excitation power.

PubMed

Mahato, Prasenjit; Monguzzi, Angelo; Yanai, Nobuhiro; Yamada, Teppei; Kimizuka, Nobuo

2015-09-01

The conversion of low-energy light into photons of higher energy based on sensitized triplet-triplet annihilation upconversion (TTA-UC) has emerged as a promising wavelength-shifting methodology because it permits UC at excitation powers as low as the solar irradiance. However, its application has been significantly hampered by the slow diffusion of excited molecules in solid matrices. Here, we introduce metal-organic frameworks (MOFs) that promote TTA-UC by taking advantage of triplet exciton migration among fluorophores that are regularly aligned with spatially controlled chromophore orientations. We synthesized anthracene-containing MOFs with different molecular orientations, and the analysis of TTA-UC emission kinetics unveiled a high triplet diffusion rate with a micrometre-scale diffusion length. Surface modification of MOF nanocrystals with donor molecules and their encapsulation in glassy poly(methyl methacrylate) (PMMA) allowed the construction of molecular-diffusion-free solid-state upconverters, which lead to an unprecedented maximization of overall UC quantum yield at excitation powers comparable to or well below the solar irradiance.

Optical inverse-square displacement sensor

DOEpatents

Howe, Robert D.; Kychakoff, George

1989-01-01

This invention comprises an optical displacement sensor that uses the inverse-square attenuation of light reflected from a diffused surface to calculate the distance from the sensor to the reflecting surface. Light emerging from an optical fiber or the like is directed onto the surface whose distance is to be measured. The intensity I of reflected light is angle dependent, but within a sufficiently small solid angle it falls off as the inverse square of the distance from the surface. At least a pair of optical detectors are mounted to detect the reflected light within the small solid angle, their ends being at different distances R and R+.DELTA.R from the surface. The distance R can then be found in terms of the ratio of the intensity measurements and the separation length as ##EQU1##

Investigation of the applications of GEOS-3 radar altimeter data in remote sensing of land and sea features

NASA Technical Reports Server (NTRS)

Miller, L. S.

1977-01-01

A number of GEOS-3 passes over the Atlantic Ocean and Southeastern U.S. are examined. Surface-truth and radar altimeter data comparisons are given in terms of surface correlation length, signal fluctuation characteristics, and altitude tracker dynamic response. Detailed analyses are given regarding spatial resolution and its dependency on angular backscatter behavior. These analyses include data from passes over ocean (diffuse scatter), land (large body scatter), and mirror-like inland water areas (pseudo-specular scatter). Altimeter data are examined for a pass over a large reservoir and marsh area of differing water levels; this geometry represents a stepchange in altitude which is usable in determination of the transient response of the tracker. The extent to which pulse-length limited operation pertains over-land is examined. A Wiener filter altitude algorithm is discussed which permits specification of tracker variance and geoidal spectral characteristics during operation.

Effects of positive ion implantation into antireflection coating of silicon solar cells

NASA Technical Reports Server (NTRS)

Middleton, A. E.; Harpster, J. W.; Collis, W. J.; Kim, C. K.

1971-01-01

The state of technological development of Si solar cells for highest obtained efficiency and radiation resistance is summarized. The various theoretical analyses of Si solar cells are reviewed. It is shown that factors controlling blue response are carrier diffusion length, surface recombination, impurity concentration profile in surface region, high level of surface impurity concentration (degeneracy), reflection coefficient of oxide, and absorption coefficient of Si. The theory of ion implantation of charge into the oxide antireflection coating is developed and side effects are discussed. The experimental investigations were directed at determining whether the blue response of Si solar cells could be improved by phosphorus ion charges introduced into the oxide antireflection coating.

Ni-silicide growth kinetics in Si and Si/SiO2 core/shell nanowires.

PubMed

Ogata, K; Sutter, E; Zhu, X; Hofmann, S

2011-09-07

A systematic study of the kinetics of axial Ni silicidation of as-grown and oxidized Si nanowires (SiNWs) with different crystallographic orientations and core diameters ranging from ∼ 10 to 100 nm is presented. For temperatures between 300 and 440 °C the length of the total axial silicide intrusion varies with the square root of time, which provides clear evidence that the rate limiting step is diffusion of Ni through the growing silicide phase(s). A retardation of Ni-silicide formation for oxidized SiNWs is found, indicative of a stress induced lowering of the diffusion coefficients. Extrapolated growth constants indicate that the Ni flux through the silicided NW is dominated by surface diffusion, which is consistent with an inverse square root dependence of the silicide length on the NW diameter as observed for (111) orientated SiNWs. In situ TEM silicidation experiments show that NiSi(2) is the first forming phase for as-grown and oxidized SiNWs. The silicide-SiNW interface is thereby atomically abrupt and typically planar. Ni-rich silicide phases subsequently nucleate close to the Ni reservoir, which for as-grown SiNWs can lead to a complete channel break-off for prolonged silicidation due to significant volume expansion and morphological changes.

Ni-Silicide Growth Kinetics in Si and Si/SiO2 Core/Shell Nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hofmann, S.; Sutter, E.; Ogata, K.

A systematic study of the kinetics of axial Ni silicidation of as-grown and oxidized Si nanowires (SiNWs) with different crystallographic orientations and core diameters ranging from {approx} 10 to 100 nm is presented. For temperatures between 300 and 440 C the length of the total axial silicide intrusion varies with the square root of time, which provides clear evidence that the rate limiting step is diffusion of Ni through the growing silicide phase(s). A retardation of Ni-silicide formation for oxidized SiNWs is found, indicative of a stress induced lowering of the diffusion coefficients. Extrapolated growth constants indicate that the Nimore » flux through the silicided NW is dominated by surface diffusion, which is consistent with an inverse square root dependence of the silicide length on the NW diameter as observed for <111> orientated SiNWs. In situ TEM silicidation experiments show that NiSi{sub 2} is the first forming phase for as-grown and oxidized SiNWs. The silicide-SiNW interface is thereby atomically abrupt and typically planar. Ni-rich silicide phases subsequently nucleate close to the Ni reservoir, which for as-grown SiNWs can lead to a complete channel break-off for prolonged silicidation due to significant volume expansion and morphological changes.« less

Lifetime and diffusion length measurements on silicon material and solar cells

NASA Technical Reports Server (NTRS)

Othmer, S.; Chen, S. C.

1978-01-01

Experimental methods were evaluated for the determination of lifetime and diffusion length in silicon intentionally doped with potentially lifetime-degrading impurities found in metallurgical grade silicon, impurities which may be residual in low-cost silicon intended for use in terrestrial flat-plate arrays. Lifetime measurements were made using a steady-state photoconductivity method. Diffusion length determinations were made using short-circuit current measurements under penetrating illumination. Mutual consistency among all experimental methods was verified, but steady-state photoconductivity was found preferable to photoconductivity decay at short lifetimes and in the presence of traps. The effects of a number of impurities on lifetime in bulk material, and on diffusion length in cells fabricated from this material, were determined. Results are compared with those obtained using different techniques. General agreement was found in terms of the hierarchy of impurities which degrade the lifetime.

Effects of superparamagnetic iron oxide nanoparticles on the longitudinal and transverse relaxation of hyperpolarized xenon gas

NASA Astrophysics Data System (ADS)

Burant, Alex; Antonacci, Michael; McCallister, Drew; Zhang, Le; Branca, Rosa Tamara

2018-06-01

SuperParamagnetic Iron Oxide Nanoparticles (SPIONs) are often used in magnetic resonance imaging experiments to enhance Magnetic Resonance (MR) sensitivity and specificity. While the effect of SPIONs on the longitudinal and transverse relaxation time of 1H spins has been well characterized, their effect on highly diffusive spins, like those of hyperpolarized gases, has not. For spins diffusing in linear magnetic field gradients, the behavior of the magnetization is characterized by the relative size of three length scales: the diffusion length, the structural length, and the dephasing length. However, for spins diffusing in non-linear gradients, such as those generated by iron oxide nanoparticles, that is no longer the case, particularly if the diffusing spins experience the non-linearity of the gradient. To this end, 3D Monte Carlo simulations are used to simulate the signal decay and the resulting image contrast of hyperpolarized xenon gas near SPIONs. These simulations reveal that signal loss near SPIONs is dominated by transverse relaxation, with little contribution from T1 relaxation, while simulated image contrast and experiments show that diffusion provides no appreciable sensitivity enhancement to SPIONs.

Growth kinetics and mass transport mechanisms of GaN columns by selective area metal organic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Wang, Xue; Hartmann, Jana; Mandl, Martin; Sadat Mohajerani, Matin; Wehmann, Hergo-H.; Strassburg, Martin; Waag, Andreas

2014-04-01

Three-dimensional GaN columns recently have attracted a lot of attention as the potential basis for core-shell light emitting diodes for future solid state lighting. In this study, the fundamental insights into growth kinetics and mass transport mechanisms of N-polar GaN columns during selective area metal organic vapor phase epitaxy on patterned SiOx/sapphire templates are systematically investigated using various pitch of apertures, growth time, and silane flow. Species impingement fluxes on the top surface of columns Jtop and on their sidewall Jsw, as well as, the diffusion flux from the substrate Jsub contribute to the growth of the GaN columns. The vertical and lateral growth rates devoted by Jtop, Jsw and Jsub are estimated quantitatively. The diffusion length of species on the SiOx mask surface λsub as well as on the sidewall surfaces of the 3D columns λsw are determined. The influences of silane on the growth kinetics are discussed. A growth model is developed for this selective area metal organic vapor phase epitaxy processing.

Ultrathin planar hematite film for solar photoelectrochemical water splitting

DOE PAGES

Liu, Dong; Bierman, David M.; Lenert, Andrej; ...

2015-10-08

Hematite holds promise for photoelectrochemical (PEC) water splitting due to its stability, low-cost, abundance and appropriate bandgap. However, it suffers from a mismatch between the hole diffusion length and light penetration length. We have theoretically designed and characterized an ultrathin planar hematite/silver nanohole array/silver substrate photoanode. Due to the supported destructive interference and surface plasmon resonance, photons are efficiently absorbed in an ultrathin hematite film. In conclusion, compared with ultrathin hematite photoanodes with nanophotonic structures, this photoanode has comparable photon absorption but with intrinsically lower recombination losses due to its planar structure and promises to exceed the state-of-the-art photocurrent ofmore » hematite photoanodes.« less

Argon Diffusion Measured in Rhyolite Melt at 100 MPa

NASA Astrophysics Data System (ADS)

Weldon, N.; Edwards, P. M.; Watkins, J. M.; Lesher, C. E.

2016-12-01

Argon diffusivity (D_{Ar} ) controls the rate and length scale of argon exchange between melt and gas phases and is used as a parameter to model noble gas fractionation during magma degassing. D_{Ar} may also be useful in geochronology to estimate the distribution of excess (non-radiogenic) atmospheric argon in lavas. Our measurements of D_{Ar} in molten anhydrous rhyolite near 1000 °C and 100 MPa add to the existing dataset. Using a rapid-quench cold seal pressure apparatus we exposed cylindrical charges drilled from a Miocene rhyolite flow near Buck Mtn., CA to a pure argon atmosphere resulting in a gradually lengthening argon concentration gradient between the saturated surface and the argon poor interior. Argon concentration was measured by electron microprobe along radial transects from the center to the surface of bisected samples. D_{Ar} was calculated for each transect by fitting relative argon concentration (as a function of distance from the surface) to Green's function (given each experiment's specific temperature, pressure and runtime). Variability (σ = 1.202{μm }^{2} /s) was smaller than in previous studies, but still greater than what is likely due to analytical or experimental uncertainty. We observed a symmetric geometric bias in the distribution of argon in our samples, possibly related to advective redistribution of argon accompanying the deformation of cylindrical charges into spheroids driven by surface tension. Average diffusivity, D_{Ar} = 4.791{μm }^{2} /s, is close to the predicted value, D_{Ar} = {μm }^{2} /s ( σ_{ \\bar{x} } = 1.576 {μm }^{2} /s), suggesting that Behrens and Zhang's (2001) empirical model is valid for anhydrous rhyolite melts to relatively higher temperatures and lower pressures. Behrens, H. and Y. Zhang (2001). "Ar diffusion in hydrous silicic melts: implications for volatile diffusion mechanisms and fractionation." Earth and Planetary Science Letters 192: 363-376.

Effect of the geometry of the anodized titania nanotube array on the performance of dye-sensitized solar cells.

PubMed

Sun, Lidong; Zhang, Sam; Sun, Xiaowei; He, Xiaodong

2010-07-01

Highly ordered TiO2 nanotube arrays are superior photoanodes for dye-sensitized solar cells (DSSCs) due to reduced intertube connections, vectorial electron transport, suppressed electron recombination, and enhanced light scattering. Performance of the cells is greatly affected by tube geometry, such as wall thickness, length, inner diameter and intertube spacing. In this paper, effect of geometry on the photovoltaic characteristics of DSSCs is reviewed. The nanotube wall has to be thick enough for a space charge layer to form for faster electron transportation and reduced recombination. When the tube wall is too thin to support the space charge layer, electron transport in the nanotubes will be hindered and reduced to that similar in a typical nanoparticle photoanode, and recombination will easily take place. Length of the nanotubes also plays a role: longer tube length is desired because of more dye loading, however, tube length longer than the electron diffusion length results in low collecting efficiency, which in turn, results in low short-circuit current density and thus low overall conversion efficiency. The tube inner diameter (pore size) affects the conversion efficiency through effective surface area, i.e., larger pore size gives rise to smaller surface area for dye adsorption, which results in low short-circuit current density under the same light soaking. Another issue that may seriously affect the conversion efficiency is whether each of the tube stands alone (free from connecting to the neighboring tubes) to facilitate infiltration of dye and fully use the outer surface area.

Prediction of an Apparent Flame Length in a Co-Axial Jet Diffusion Flame Combustor.

DTIC Science & Technology

1983-04-01

This report is comprised of two parts. In Part I a predictive model for an apparent flame length in a co-axial jet diffusion flame combustor is...Overall mass transfer coefficient, evaluated from an empirically developed correlation, is employed to predict total flame length . Comparison of the...experimental and predicted data on total flame length shows a reasonable agreement within sixteen percent over the investigated air and fuel flow rate

One-Dimensional Electron Transport Layers for Perovskite Solar Cells

PubMed Central

Thakur, Ujwal K.; Kisslinger, Ryan; Shankar, Karthik

2017-01-01

The electron diffusion length (Ln) is smaller than the hole diffusion length (Lp) in many halide perovskite semiconductors meaning that the use of ordered one-dimensional (1D) structures such as nanowires (NWs) and nanotubes (NTs) as electron transport layers (ETLs) is a promising method of achieving high performance halide perovskite solar cells (HPSCs). ETLs consisting of oriented and aligned NWs and NTs offer the potential not merely for improved directional charge transport but also for the enhanced absorption of incoming light and thermodynamically efficient management of photogenerated carrier populations. The ordered architecture of NW/NT arrays affords superior infiltration of a deposited material making them ideal for use in HPSCs. Photoconversion efficiencies (PCEs) as high as 18% have been demonstrated for HPSCs using 1D ETLs. Despite the advantages of 1D ETLs, there are still challenges that need to be overcome to achieve even higher PCEs, such as better methods to eliminate or passivate surface traps, improved understanding of the hetero-interface and optimization of the morphology (i.e., length, diameter, and spacing of NWs/NTs). This review introduces the general considerations of ETLs for HPSCs, deposition techniques used, and the current research and challenges in the field of 1D ETLs for perovskite solar cells. PMID:28468280

Investigation of Perforated Convergent-divergent Diffusers with Initial Boundary Layer

NASA Technical Reports Server (NTRS)

Weinstein, Maynard I

1950-01-01

An experimental investigation was made at Mach number 1.90 of the performance of a series of perforated convergent-divergent supersonic diffusers operating with initial boundary layer, which was induced and controlled by lengths of cylindrical inlets affixed to the diffusers. Supercritical mass-flow and peak total-pressure recoveries were decreased slightly by use of the longest inlets (4 inlet diameters in length). Combinations of cylindrical inlets, perforated diffusers, and subsonic diffuser were evaluated as simulated wind tunnels having second throats. Comparisons with noncontracted configurations of similar scale indicated conservatively computed power reductions of 25 percent.

Trouble with diffusion: Reassessing hillslope erosion laws with a particle-based model

NASA Astrophysics Data System (ADS)

Tucker, Gregory E.; Bradley, D. Nathan

2010-03-01

Many geomorphic systems involve a broad distribution of grain motion length scales, ranging from a few particle diameters to the length of an entire hillslope or stream. Studies of analogous physical systems have revealed that such broad motion distributions can have a significant impact on macroscale dynamics and can violate the assumptions behind standard, local gradient flux laws. Here, a simple particle-based model of sediment transport on a hillslope is used to study the relationship between grain motion statistics and macroscopic landform evolution. Surface grains are dislodged by random disturbance events with probabilities and distances that depend on local microtopography. Despite its simplicity, the particle model reproduces a surprisingly broad range of slope forms, including asymmetric degrading scarps and cinder cone profiles. At low slope angles the dynamics are diffusion like, with a short-range, thin-tailed hop length distribution, a parabolic, convex upward equilibrium slope form, and a linear relationship between transport rate and gradient. As slope angle steepens, the characteristic grain motion length scale begins to approach the length of the slope, leading to planar equilibrium forms that show a strongly nonlinear correlation between transport rate and gradient. These high-probability, long-distance motions violate the locality assumption embedded in many common gradient-based geomorphic transport laws. The example of a degrading scarp illustrates the potential for grain motion dynamics to vary in space and time as topography evolves. This characteristic renders models based on independent, stationary statistics inapplicable. An accompanying analytical framework based on treating grain motion as a survival process is briefly outlined.

Thin film growth by 3D multi-particle diffusion limited aggregation model: Anomalous roughening and fractal analysis

NASA Astrophysics Data System (ADS)

Nasehnejad, Maryam; Nabiyouni, G.; Gholipour Shahraki, Mehran

2018-03-01

In this study a 3D multi-particle diffusion limited aggregation method is employed to simulate growth of rough surfaces with fractal behavior in electrodeposition process. A deposition model is used in which the radial motion of the particles with probability P, competes with random motions with probability 1 - P. Thin films growth is simulated for different values of probability P (related to the electric field) and thickness of the layer(related to the number of deposited particles). The influence of these parameters on morphology, kinetic of roughening and the fractal dimension of the simulated surfaces has been investigated. The results show that the surface roughness increases with increasing the deposition time and scaling exponents exhibit a complex behavior which is called as anomalous scaling. It seems that in electrodeposition process, radial motion of the particles toward the growing seeds may be an important mechanism leading to anomalous scaling. The results also indicate that the larger values of probability P, results in smoother topography with more densely packed structure. We have suggested a dynamic scaling ansatz for interface width has a function of deposition time, scan length and probability. Two different methods are employed to evaluate the fractal dimension of the simulated surfaces which are "cube counting" and "roughness" methods. The results of both methods show that by increasing the probability P or decreasing the deposition time, the fractal dimension of the simulated surfaces is increased. All gained values for fractal dimensions are close to 2.5 in the diffusion limited aggregation model.

Evaluation of surface tension and Tolman length as a function of droplet radius from experimental nucleation rate and supersaturation ratio: metal vapor homogeneous nucleation.

PubMed

Onischuk, A A; Purtov, P A; Baklanov, A M; Karasev, V V; Vosel, S V

2006-01-07

Zinc and silver vapor homogeneous nucleations are studied experimentally at the temperature from 600 to 725 and 870 K, respectively, in a laminar flow diffusion chamber with Ar as a carrier gas at atmospheric pressure. The size, shape, and concentration of aerosol particles outcoming the diffusion chamber are analyzed by a transmission electron microscope and an automatic diffusion battery. The wall deposit is studied by a scanning electron microscope (SEM). Using SEM data the nucleation rate for both Zn and Ag is estimated as 10(10) cm(-3) s(-1). The dependence of critical supersaturation on temperature for Zn and Ag measured in this paper as well as Li, Na, Cs, Ag, Mg, and Hg measured elsewhere is analyzed. To this aim the classical nucleation theory is extended by the dependence of surface tension on the nucleus radius. The preexponent in the formula for the vapor nucleation rate is derived using the formula for the work of formation of noncritical embryo [obtained by Nishioka and Kusaka [J. Chem. Phys. 96, 5370 (1992)] and later by Debenedetti and Reiss [J. Chem. Phys. 108, 5498 (1998)

Stimulated echo diffusion tensor imaging (STEAM-DTI) with varying diffusion times as a probe of breast tissue.

PubMed

Teruel, Jose R; Cho, Gene Y; Moccaldi Rt, Melanie; Goa, Pål E; Bathen, Tone F; Feiweier, Thorsten; Kim, Sungheon G; Moy, Linda; Sigmund, Eric E

2017-01-01

To explore the application of diffusion tensor imaging (DTI) for breast tissue and breast pathologies using a stimulated-echo acquisition mode (STEAM) with variable diffusion times. In this Health Insurance Portability and Accountability Act-compliant study, approved by the local institutional review board, eight patients and six healthy volunteers underwent an MRI examination at 3 Tesla including STEAM-DTI with several diffusion times ranging from 68.5 to 902.5 ms. A DTI model was fitted to the data for each diffusion time, and parametric maps of mean diffusivity, fractional anisotropy, axial diffusivity, and radial diffusivity were computed for healthy fibroglandular tissue (FGT) and lesions. The median value of radial diffusivity for FGT was fitted to a linear decay to obtain an estimation of the surface-to-volume ratio, from which the radial diameter was calculated. For healthy FGT, radial diffusivity presented a linear decay with the square root of the diffusion time resulting in a range of estimated radial diameters from 202 to 496 µm, while axial diffusivity presented a nearly time-independent diffusion. Residual fat signal was reduced at longer diffusion times due to the shorter T1 of fat. Residual fat signal to the overall signal in the healthy volunteers' FGT was found to range from 2.39% to 2.55% (shortest mixing time), and from 0.40% to 0.51% (longest mixing time) for the b500 images. The use of variable diffusion times may provide an in vivo noninvasive tool to probe diffusion lengths in breast tissue and breast pathology, and might aid by improving fat suppression at longer diffusion times. 2 J. Magn. Reson. Imaging 2017;45:84-93. © 2016 International Society for Magnetic Resonance in Medicine.

Length of intact plasma membrane determines the diffusion properties of cellular water.

PubMed

Eida, Sato; Van Cauteren, Marc; Hotokezaka, Yuka; Katayama, Ikuo; Sasaki, Miho; Obara, Makoto; Okuaki, Tomoyuki; Sumi, Misa; Nakamura, Takashi

2016-01-11

Molecular diffusion in a boundary-free medium depends only on the molecular size, the temperature, and medium viscosity. However, the critical determinant of the molecular diffusion property in inhomogeneous biological tissues has not been identified. Here, using an in vitro system and a high-resolution MR imaging technique, we show that the length of the intact plasma membrane is a major determinant of water diffusion in a controlled cellular environment and that the cell perimeter length (CPL) is sufficient to estimate the apparent diffusion coefficient (ADC) of water in any cellular environment in our experimental system (ADC = -0.21 × CPL + 1.10). We used this finding to further explain the different diffusion kinetics of cells that are dying via apoptotic or non-apoptotic cell death pathways exhibiting characteristic changes in size, nuclear and cytoplasmic architectures, and membrane integrity. These results suggest that the ADC value can be used as a potential biomarker for cell death.

Length of intact plasma membrane determines the diffusion properties of cellular water

PubMed Central

Eida, Sato; Van Cauteren, Marc; Hotokezaka, Yuka; Katayama, Ikuo; Sasaki, Miho; Obara, Makoto; Okuaki, Tomoyuki; Sumi, Misa; Nakamura, Takashi

2016-01-01

Molecular diffusion in a boundary-free medium depends only on the molecular size, the temperature, and medium viscosity. However, the critical determinant of the molecular diffusion property in inhomogeneous biological tissues has not been identified. Here, using an in vitro system and a high-resolution MR imaging technique, we show that the length of the intact plasma membrane is a major determinant of water diffusion in a controlled cellular environment and that the cell perimeter length (CPL) is sufficient to estimate the apparent diffusion coefficient (ADC) of water in any cellular environment in our experimental system (ADC = −0.21 × CPL + 1.10). We used this finding to further explain the different diffusion kinetics of cells that are dying via apoptotic or non-apoptotic cell death pathways exhibiting characteristic changes in size, nuclear and cytoplasmic architectures, and membrane integrity. These results suggest that the ADC value can be used as a potential biomarker for cell death. PMID:26750342

Nanopatterning the electronic properties of gold surfaces with self-organized superlattices of metallic nanostructures.

PubMed

Didiot, Clement; Pons, Stephane; Kierren, Bertrand; Fagot-Revurat, Yannick; Malterre, Daniel

2007-10-01

The self-organized growth of nanostructures on surfaces could offer many advantages in the development of new catalysts, electronic devices and magnetic data-storage media. The local density of electronic states on the surface at the relevant energy scale strongly influences chemical reactivity, as does the shape of the nanoparticles. The electronic properties of surfaces also influence the growth and decay of nanostructures such as dimers, chains and superlattices of atoms or noble metal islands. Controlling these properties on length scales shorter than the diffusion lengths of the electrons and spins (some tens of nanometres for metals) is a major goal in electronics and spintronics. However, to date, there have been few studies of the electronic properties of self-organized nanostructures. Here we report the self-organized growth of macroscopic superlattices of Ag or Cu nanostructures on Au vicinal surfaces, and demonstrate that the electronic properties of these systems depend on the balance between the confinement and the perturbation of the surface states caused by the steps and the nanostructures' superlattice. We also show that the local density of states can be modified in a controlled way by adjusting simple parameters such as the type of metal deposited and the degree of coverage.

Damage and recovery characteristics of lithium-containing solar cells.

NASA Technical Reports Server (NTRS)

Faith, T. J.

1971-01-01

Damage and recovery characteristics were measured on lithium-containing solar cells irradiated by 1-MeV electrons. Empirical expressions for cell recovery time, diffusion-length damage coefficient immediately after irradiation, and diffusion-length damage coefficient after recovery were derived using results of short-circuit current, diffusion-length, and reverse-bias capacitance measurements. The damage coefficients were expressed in terms of a single lithium density parameter, the lithium gradient. A fluence dependence was also established, this dependence being the same for both the immediate-post-irradiation and post-recovery cases. Cell recovery rates were found to increase linearly with lithium gradient.

Thermal diffusivity study of aged Li-ion batteries using flash method

NASA Astrophysics Data System (ADS)

Nagpure, Shrikant C.; Dinwiddie, Ralph; Babu, S. S.; Rizzoni, Giorgio; Bhushan, Bharat; Frech, Tim

Advanced Li-ion batteries with high energy and power density are fast approaching compatibility with automotive demands. While the mechanism of operation of these batteries is well understood, the aging mechanisms are still under investigation. Investigation of aging mechanisms in Li-ion batteries becomes very challenging, as aging does not occur due to a single process, but because of multiple physical processes occurring at the same time in a cascading manner. As the current characterization techniques such as Raman spectroscopy, X-ray diffraction, and atomic force microscopy are used independent of each other they do not provide a comprehensive understanding of material degradation at different length (nm 2 to m 2) scales. Thus to relate the damage mechanisms of the cathode at mm length scale to micro/nanoscale, data at an intermediate length scale is needed. As such, we demonstrate here the use of thermal diffusivity analysis by flash method to bridge the gap between different length scales. In this paper we present the thermal diffusivity analysis of an unaged and aged cell. Thermal diffusivity analysis maps the damage to the cathode samples at millimeter scale lengths. Based on these maps we also propose a mechanism leading to the increase of the thermal diffusivity as the cells are aged.

Diffusion length of non-equilibrium minority charge carriers in β-Ga2O3 measured by electron beam induced current

NASA Astrophysics Data System (ADS)

Yakimov, E. B.; Polyakov, A. Y.; Smirnov, N. B.; Shchemerov, I. V.; Yang, Jiancheng; Ren, F.; Yang, Gwangseok; Kim, Jihyun; Pearton, S. J.

2018-05-01

The spatial distribution of electron-hole pair generation in β-Ga2O3 as a function of scanning electron microscope (SEM) beam energy has been calculated by a Monte Carlo method. This spatial distribution is then used to obtain the diffusion length of charge carriers in high-quality epitaxial Ga2O3 films from the dependence of the electron beam induced current (EBIC) collection efficiency on the accelerating voltage of a SEM. The experimental results show, contrary to earlier theory, that holes are mobile in β-Ga2O3 and to a large extent determine the diffusion length of charge carriers. Diffusion lengths in the range 350-400 nm are determined for the as-grown Ga2O3, while processes like exposing the samples to proton irradiation essentially halve this value, showing the role of point defects in controlling minority carrier transport. The pitfalls related to using other popular EBIC-based methods assuming a point-like excitation function are demonstrated. Since the point defect type and the concentration in currently available Ga2O3 are dependent on the growth method and the doping concentration, accurate methods of diffusion length determination are critical to obtain quantitative comparisons of material quality.

A facile strategy to design zeolite L crystals with tunable morphology and surface architecture.

PubMed

Lupulescu, Alexandra I; Kumar, Manjesh; Rimer, Jeffrey D

2013-05-01

Tailoring the anisotropic growth rates of materials to achieve desired structural outcomes is a pervasive challenge in synthetic crystallization. Here we discuss a method to selectively control the growth of zeolite crystals, which are used extensively in a wide range of industrial applications. This facile method cooperatively tunes crystal properties, such as morphology and surface architecture, through the use of inexpensive, commercially available chemicals with specificity for binding to crystallographic surfaces and mediating anisotropic growth. We examined over 30 molecules as potential zeolite growth modifiers (ZGMs) of zeolite L (LTL type) crystallization. ZGM efficacy was quantified through a combination of macroscopic (bulk) and microscopic (surface) investigations that identified modifiers capable of dramatically altering the cylindrical morphology of LTL crystals. We demonstrate an ability to tailor properties critical to zeolite performance, such as external porous surface area, crystal shape, and pore length, which can enhance sorbate accessibility to LTL pores, tune the supramolecular organization of guest-host composites, and minimize the diffusion path length, respectively. We report that a synergistic combination of ZGMs and the judicious adjustment of synthesis parameters produce LTL crystals with unique surface features, and a range of length-to-diameter aspect ratios spanning 3 orders of magnitude. A systematic examination of different ZGM structures and molecular compositions (i.e., hydrophobicity and binding moieties) reveal interesting physicochemical properties governing their efficacy and specificity. Results of this study suggest this versatile strategy may prove applicable for a host of framework types to produce unrivaled materials that have eluded more conventional techniques.

Surface photovoltage measurements and finite element modeling of SAW devices.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Donnelly, Christine

2012-03-01

Over the course of a Summer 2011 internship with the MEMS department of Sandia National Laboratories, work was completed on two major projects. The first and main project of the summer involved taking surface photovoltage measurements for silicon samples, and using these measurements to determine surface recombination velocities and minority carrier diffusion lengths of the materials. The SPV method was used to fill gaps in the knowledge of material parameters that had not been determined successfully by other characterization methods. The second project involved creating a 2D finite element model of a surface acoustic wave device. A basic form ofmore » the model with the expected impedance response curve was completed, and the model is ready to be further developed for analysis of MEMS photonic resonator devices.« less

Structural and diffusion characterizations of steam-stable mesostructured zeolitic UL-ZSM-5 materials.

PubMed

Vinh-Thang, Hoang; Huang, Qinglin; Ungureanu, Adrian; Eić, Mladen; Trong-On, Do; Kaliaguine, Serge

2006-05-09

A series of mesoporous UL-ZSM-5 materials (Si/Al = 50) with different micro- and mesoporosity as well as crystallinity was prepared following the procedure proposed in one of our recent studies (Trong-On, D.; Kaliaguine, S. Angew. Chem. Int. Ed. 2001, 40, 3248-3251. Trong-On, D.; Kaliaguine, S. U.S. Patent 6,669,924, B1, 2003). These materials have zeolitic structure in the form of nanoparticles intergrown in the walls of the amorphous wormhole-like aluminosilicate mesopores of Al-Meso-50, which was used as a precursor in the synthesis. The structure, crystallinity, and textural properties of the synthesized materials, as well as a reference ZSM-5 zeolite sample, were determined by X-ray diffraction (XRD), transmission electron microscopy (TEM)/scanning electron microscoy (SEM) analyses, Fourier transform infrared spectroscopy (FTIR), 27Al magic angle spinning (MAS) nuclear magnetic resonance (NMR), and nitrogen adsorption/desorption techniques. The acid properties were examined by FTIR of adsorbed pyridine. UL-ZSM-5 materials were shown to be highly hydrothermally stable. The diffusion of two C7 hydrocarbons, i.e., n-heptane and toluene, in four UL-ZSM-5 materials with different microporosities, related acidities, and crystallinities were investigated using the zero-length column (ZLC) method. Furthermore, the wormhole-like mesostructured aluminosilicate precursor (Al-Meso-50) and a reference MFI zeolite sample were also investigated using the same technique. A theoretical model considering a combination of mesopore diffusion (with surface slip in the main channels) with an activated, mainly surface diffusion mechanism in the intrawall biporous structure, was proposed and employed to interpret the experimental ZLC results. A classical Knudsen type of diffusion was replaced by an activated surface slip type of diffusion mechanism in the mesopores. The transport of n-heptane in UL-ZSM-5 materials was found to be mainly controlled by mesopore diffusion in the main-channel structure, while that of toluene was dominated by the intrawall diffusion process. Diffusion activation energies of n-heptane are about 2 times higher in comparison to toluene, which has a larger kinetic diameter. The main mesopore channel structure seems to appreciably contribute to the overall mass transport. Furthermore, the effect of hydrothermal treatment (20% steam at 800 degrees C for 24 h) on the diffusion of these two sorbates on UL-ZSM-5 materials was also evaluated.

Correlations Between Micromagnetic, Microstructural and Microchemical Properties in Ultrathin Epitaxial Magnetic Structures

DTIC Science & Technology

1993-12-31

substrates. 2-17,19- 24-17-34 These films possess corn- temperature. It is the complexity of both the structural and plec two-dimensional magnetic...free energy differences, diffusion lengths,were taken to ensure that these measurements represent su~ rt tepraue and deposition rates. At room tern...Arnion, G. Jennings, and Rt F. Willis, Surface taneous multilayered growth made due to the lack of Science 192, LS43 (1987). breaks in the normalized MWV

Molecular-Beam-Epitaxy Program

NASA Technical Reports Server (NTRS)

Sparks, Patricia D.

1988-01-01

Molecular Beam Epitaxy (MBE) computer program developed to aid in design of single- and double-junction cascade cells made of silicon. Cascade cell has efficiency 1 or 2 percent higher than single cell, with twice the open-circuit voltage. Input parameters include doping density, diffusion lengths, thicknesses of regions, solar spectrum, absorption coefficients of silicon (data included for 101 wavelengths), and surface recombination velocities. Results include maximum power, short-circuit current, and open-circuit voltage. Program written in FORTRAN IV.

Surface wind mixing in the Regional Ocean Modeling System (ROMS)

NASA Astrophysics Data System (ADS)

Robertson, Robin; Hartlipp, Paul

2017-12-01

Mixing at the ocean surface is key for atmosphere-ocean interactions and the distribution of heat, energy, and gases in the upper ocean. Winds are the primary force for surface mixing. To properly simulate upper ocean dynamics and the flux of these quantities within the upper ocean, models must reproduce mixing in the upper ocean. To evaluate the performance of the Regional Ocean Modeling System (ROMS) in replicating the surface mixing, the results of four different vertical mixing parameterizations were compared against observations, using the surface mixed layer depth, the temperature fields, and observed diffusivities for comparisons. The vertical mixing parameterizations investigated were Mellor- Yamada 2.5 level turbulent closure (MY), Large- McWilliams- Doney Kpp (LMD), Nakanishi- Niino (NN), and the generic length scale (GLS) schemes. This was done for one temperate site in deep water in the Eastern Pacific and three shallow water sites in the Baltic Sea. The model reproduced the surface mixed layer depth reasonably well for all sites; however, the temperature fields were reproduced well for the deep site, but not for the shallow Baltic Sea sites. In the Baltic Sea, the models overmixed the water column after a few days. Vertical temperature diffusivities were higher than those observed and did not show the temporal fluctuations present in the observations. The best performance was by NN and MY; however, MY became unstable in two of the shallow simulations with high winds. The performance of GLS nearly as good as NN and MY. LMD had the poorest performance as it generated temperature diffusivities that were too high and induced too much mixing. Further observational comparisons are needed to evaluate the effects of different stratification and wind conditions and the limitations on the vertical mixing parameterizations.

Optical inverse-square displacement sensor

DOEpatents

Howe, R.D.; Kychakoff, G.

1989-09-12

This invention comprises an optical displacement sensor that uses the inverse-square attenuation of light reflected from a diffused surface to calculate the distance from the sensor to the reflecting surface. Light emerging from an optical fiber or the like is directed onto the surface whose distance is to be measured. The intensity I of reflected light is angle dependent, but within a sufficiently small solid angle it falls off as the inverse square of the distance from the surface. At least a pair of optical detectors are mounted to detect the reflected light within the small solid angle, their ends being at different distances R and R + [Delta]R from the surface. The distance R can then be found in terms of the ratio of the intensity measurements and the separation length as given in an equation. 10 figs.

Swarming bacteria migrate by Lévy Walk

NASA Astrophysics Data System (ADS)

Ariel, Gil; Rabani, Amit; Benisty, Sivan; Partridge, Jonathan D.; Harshey, Rasika M.; Be'Er, Avraham

2015-09-01

Individual swimming bacteria are known to bias their random trajectories in search of food and to optimize survival. The motion of bacteria within a swarm, wherein they migrate as a collective group over a solid surface, is fundamentally different as typical bacterial swarms show large-scale swirling and streaming motions involving millions to billions of cells. Here by tracking trajectories of fluorescently labelled individuals within such dense swarms, we find that the bacteria are performing super-diffusion, consistent with Lévy walks. Lévy walks are characterized by trajectories that have straight stretches for extended lengths whose variance is infinite. The evidence of super-diffusion consistent with Lévy walks in bacteria suggests that this strategy may have evolved considerably earlier than previously thought.

The narrow pulse approximation and long length scale determination in xenon gas diffusion NMR studies of model porous media

NASA Technical Reports Server (NTRS)

Mair, R. W.; Sen, P. N.; Hurlimann, M. D.; Patz, S.; Cory, D. G.; Walsworth, R. L.

2002-01-01

We report a systematic study of xenon gas diffusion NMR in simple model porous media, random packs of mono-sized glass beads, and focus on three specific areas peculiar to gas-phase diffusion. These topics are: (i) diffusion of spins on the order of the pore dimensions during the application of the diffusion encoding gradient pulses in a PGSE experiment (breakdown of the narrow pulse approximation and imperfect background gradient cancellation), (ii) the ability to derive long length scale structural information, and (iii) effects of finite sample size. We find that the time-dependent diffusion coefficient, D(t), of the imbibed xenon gas at short diffusion times in small beads is significantly affected by the gas pressure. In particular, as expected, we find smaller deviations between measured D(t) and theoretical predictions as the gas pressure is increased, resulting from reduced diffusion during the application of the gradient pulse. The deviations are then completely removed when water D(t) is observed in the same samples. The use of gas also allows us to probe D(t) over a wide range of length scales and observe the long time asymptotic limit which is proportional to the inverse tortuosity of the sample, as well as the diffusion distance where this limit takes effect (approximately 1-1.5 bead diameters). The Pade approximation can be used as a reference for expected xenon D(t) data between the short and the long time limits, allowing us to explore deviations from the expected behavior at intermediate times as a result of finite sample size effects. Finally, the application of the Pade interpolation between the long and the short time asymptotic limits yields a fitted length scale (the Pade length), which is found to be approximately 0.13b for all bead packs, where b is the bead diameter. c. 2002 Elsevier Sciences (USA).

The narrow pulse approximation and long length scale determination in xenon gas diffusion NMR studies of model porous media.

PubMed

Mair, R W; Sen, P N; Hürlimann, M D; Patz, S; Cory, D G; Walsworth, R L

2002-06-01

We report a systematic study of xenon gas diffusion NMR in simple model porous media, random packs of mono-sized glass beads, and focus on three specific areas peculiar to gas-phase diffusion. These topics are: (i) diffusion of spins on the order of the pore dimensions during the application of the diffusion encoding gradient pulses in a PGSE experiment (breakdown of the narrow pulse approximation and imperfect background gradient cancellation), (ii) the ability to derive long length scale structural information, and (iii) effects of finite sample size. We find that the time-dependent diffusion coefficient, D(t), of the imbibed xenon gas at short diffusion times in small beads is significantly affected by the gas pressure. In particular, as expected, we find smaller deviations between measured D(t) and theoretical predictions as the gas pressure is increased, resulting from reduced diffusion during the application of the gradient pulse. The deviations are then completely removed when water D(t) is observed in the same samples. The use of gas also allows us to probe D(t) over a wide range of length scales and observe the long time asymptotic limit which is proportional to the inverse tortuosity of the sample, as well as the diffusion distance where this limit takes effect (approximately 1-1.5 bead diameters). The Padé approximation can be used as a reference for expected xenon D(t) data between the short and the long time limits, allowing us to explore deviations from the expected behavior at intermediate times as a result of finite sample size effects. Finally, the application of the Padé interpolation between the long and the short time asymptotic limits yields a fitted length scale (the Padé length), which is found to be approximately 0.13b for all bead packs, where b is the bead diameter. c. 2002 Elsevier Sciences (USA).

Fiberoptic microneedles: novel optical diffusers for interstitial delivery of therapeutic light.

PubMed

Kosoglu, Mehmet A; Hood, Robert L; Rossmeisl, John H; Grant, David C; Xu, Yong; Robertson, John L; Rylander, Marissa Nichole; Rylander, Christopher G

2011-11-01

Photothermal therapies have limited efficacy and application due to the poor penetration depth of light inside tissue. In earlier work, we described the development of novel fiberoptic microneedles to provide a means to mechanically penetrate dermal tissue and deliver light directly into a localized target area.This paper presents an alternate fiberoptic microneedle design with the capability of delivering more diffuse, but therapeutically useful photothermal energy. Laser lipolysis is envisioned as a future clinical application for this design. A novel fiberoptic microneedle was developed using hydrofluoric acid etching of optical fiber to permit diffuse optical delivery. Microneedles etched for 10, 30, and 50 minutes, and an optical fiber control were compared with three techniques. First, red light delivery from the microneedles was evaluated by imaging the reflectance of the light from a white paper.Second, spatial temperature distribution of the paper in response to near-IR light (1,064 nm, 1 W CW) was recorded using infrared thermography. Third, ex vivo adipose tissue response during 1,064 nm, (5 W CW)irradiation was recorded with bright field microscopy. Acid etching exposed a 3 mm length of the fiber core, allowing circumferential delivery of light along this length. Increasing etching time decreased microneedle diameter, resulting in increased uniformity of red and 1,064 nm light delivery along the microneedle axis. For equivalent total energy delivery, thinner microneedles reduced carbonization in the adipose tissue experiments. We developed novel microscale optical diffusers that provided a more homogeneous light distribution from their surfaces, and compared performance to a flat-cleaved fiber, a device currently utilized in clinical practice. These fiberoptic microneedles can potentially enhance clinical laser procedures by providing direct delivery of diffuse light to target chromophores, while minimizing undesirable photothermal damage in adjacent, non-target tissue. Copyright © 2011 Wiley Periodicals, Inc.

Spin-hall-active platinum thin films grown via atomic layer deposition

NASA Astrophysics Data System (ADS)

Schlitz, Richard; Amusan, Akinwumi Abimbola; Lammel, Michaela; Schlicht, Stefanie; Tynell, Tommi; Bachmann, Julien; Woltersdorf, Georg; Nielsch, Kornelius; Goennenwein, Sebastian T. B.; Thomas, Andy

2018-06-01

We study the magnetoresistance of yttrium iron garnet/Pt heterostructures in which the Pt layer was grown via atomic layer deposition (ALD). Magnetotransport experiments in three orthogonal rotation planes reveal the hallmark features of spin Hall magnetoresistance. To estimate the spin transport parameters, we compare the magnitude of the magnetoresistance in samples with different Pt thicknesses. We check the spin Hall angle and the spin diffusion length of the ALD Pt layers against the values reported for high-quality sputter-deposited Pt films. The spin diffusion length of 1.5 nm agrees well with that of platinum thin films reported in the literature, whereas the spin Hall magnetoresistance Δ ρ / ρ = 2.2 × 10 - 5 is approximately a factor of 20 smaller compared to that of our sputter-deposited films. Our results demonstrate that ALD allows fabricating spin-Hall-active Pt films of suitable quality for use in spin transport structures. This work provides the basis to establish conformal ALD coatings for arbitrary surface geometries with spin-Hall-active metals and could lead to 3D spintronic devices in the future.

CoFlame: A refined and validated numerical algorithm for modeling sooting laminar coflow diffusion flames

NASA Astrophysics Data System (ADS)

Eaves, Nick A.; Zhang, Qingan; Liu, Fengshan; Guo, Hongsheng; Dworkin, Seth B.; Thomson, Murray J.

2016-10-01

Mitigation of soot emissions from combustion devices is a global concern. For example, recent EURO 6 regulations for vehicles have placed stringent limits on soot emissions. In order to allow design engineers to achieve the goal of reduced soot emissions, they must have the tools to so. Due to the complex nature of soot formation, which includes growth and oxidation, detailed numerical models are required to gain fundamental insights into the mechanisms of soot formation. A detailed description of the CoFlame FORTRAN code which models sooting laminar coflow diffusion flames is given. The code solves axial and radial velocity, temperature, species conservation, and soot aggregate and primary particle number density equations. The sectional particle dynamics model includes nucleation, PAH condensation and HACA surface growth, surface oxidation, coagulation, fragmentation, particle diffusion, and thermophoresis. The code utilizes a distributed memory parallelization scheme with strip-domain decomposition. The public release of the CoFlame code, which has been refined in terms of coding structure, to the research community accompanies this paper. CoFlame is validated against experimental data for reattachment length in an axi-symmetric pipe with a sudden expansion, and ethylene-air and methane-air diffusion flames for multiple soot morphological parameters and gas-phase species. Finally, the parallel performance and computational costs of the code is investigated.

A nonlinear equation for ionic diffusion in a strong binary electrolyte

PubMed Central

Ghosal, Sandip; Chen, Zhen

2010-01-01

The problem of the one-dimensional electro-diffusion of ions in a strong binary electrolyte is considered. The mathematical description, known as the Poisson–Nernst–Planck (PNP) system, consists of a diffusion equation for each species augmented by transport owing to a self-consistent electrostatic field determined by the Poisson equation. This description is also relevant to other important problems in physics, such as electron and hole diffusion across semiconductor junctions and the diffusion of ions in plasmas. If concentrations do not vary appreciably over distances of the order of the Debye length, the Poisson equation can be replaced by the condition of local charge neutrality first introduced by Planck. It can then be shown that both species diffuse at the same rate with a common diffusivity that is intermediate between that of the slow and fast species (ambipolar diffusion). Here, we derive a more general theory by exploiting the ratio of the Debye length to a characteristic length scale as a small asymptotic parameter. It is shown that the concentration of either species may be described by a nonlinear partial differential equation that provides a better approximation than the classical linear equation for ambipolar diffusion, but reduces to it in the appropriate limit. PMID:21818176

A sensitivity analysis of a surface energy balance model to LAI (Leaf Area Index)

NASA Astrophysics Data System (ADS)

Maltese, A.; Cannarozzo, M.; Capodici, F.; La Loggia, G.; Santangelo, T.

2008-10-01

The LAI is a key parameter in hydrological processes, especially in the physically based distribution models. It is a critical ecosystem attribute since physiological processes such as photosynthesis, transpiration and evaporation depend on it. The diffusion of water vapor, momentum, heat and light through the canopy is regulated by the distribution and density of the leaves, branches, twigs and stems. The LAI influences the sensible heat flux H in the surface energy balance single source models through the calculation of the roughness length and of the displacement height. The aerodynamic resistance between the soil and within-canopy source height is a function of the LAI through the roughness length. This research carried out a sensitivity analysis of some of the most important parameters of surface energy balance models to the LAI time variation, in order to take into account the effects of the LAI variation with the phenological period. Finally empirical retrieved relationships between field spectroradiometric data and the field LAI measured via a light-sensitive instrument are presented for a cereal field.

Photographer : JPL Range : 225,000 kilometers (140,625 miles) This image of the Jovian moon Europa

NASA Technical Reports Server (NTRS)

1979-01-01

Photographer : JPL Range : 225,000 kilometers (140,625 miles) This image of the Jovian moon Europa was taken by Voyager 2 along the evening terminator, which best shows the surface topography of complex narrow ridges, seen as curved bright streaks, 5 to 10 kilometers wide, and typically 100 kilometers in length. The area shown is about 600 by 800 kilometers, and the smallest features visible are about 4 kilometers in size. Also visable are dark bands, more diffused in character, 20 to 40 kilometers wide and hundreds to thousands of kilometers in length. A few features are suggestive of impact craters but are rare, indication that the surface thought to be dominantly ice is still active, perhaps warmed by tidal heating like Io. The larger icy satellites, Callisto and Ganymede, are evidently colder with much more rigid crusts and ancient impact craters. The complex intersection of dark markings and bright ridges suggest that the surface has been fractured and material from beneath has welled up to fill the cracks.

Soft x-ray speckle from rough surfaces

NASA Astrophysics Data System (ADS)

Porter, Matthew Stanton

Dynamic light scattering has been of great use in determining diffusion times for polymer solutions. At the same time, polymer thin films are becoming of increasing importance, especially in the semiconductor industry where they are used as photoresists and interlevel dielectrics. As the dimensions of these devices decrease we will reach a point where lasers will no longer be able to probe the length scales of interest. Current laser wavelengths limit the size of observable diffusion lengths to 180-700 nm. This dissertation will discuss attempts at pushing dynamic fight scattering experiments into the soft x-ray region so that we can examine fluctuations in polymer thin films on the molecular length scale. The dissertation explores the possibility of carrying out a dynamic light scattering experiment in the soft x-ray regime. A detailed account of how to meet the basic requirements for a coherent scattering experiment in the soft x-ray regime win be given. In addition, a complete description of the chamber design will be discussed. We used our custom designed scattering chamber to collect reproducible coherent soft x-ray scattering data from etched silicon wafers and from polystyrene coated silicon wafers. The data from the silicon wafers followed the statistics for a well-developed speckle pattern while the data from the polystyrene films exhibited Poisson statistics. We used the data from both the etched wafers and the polystyrene coated wafers to place a lower limit of ~20 Å on the RMS surface roughness of samples which will produce well defined speckle patterns for the current detector setup. Future experiments which use the criteria set forth in this dissertation have the opportunity to be even more successful than this dissertation project.

Fully Coupled Simulation of Lithium Ion Battery Cell Performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trembacki, Bradley L.; Murthy, Jayathi Y.; Roberts, Scott Alan

Lithium-ion battery particle-scale (non-porous electrode) simulations applied to resolved electrode geometries predict localized phenomena and can lead to better informed decisions on electrode design and manufacturing. This work develops and implements a fully-coupled finite volume methodology for the simulation of the electrochemical equations in a lithium-ion battery cell. The model implementation is used to investigate 3D battery electrode architectures that offer potential energy density and power density improvements over traditional layer-by-layer particle bed battery geometries. Advancement of micro-scale additive manufacturing techniques has made it possible to fabricate these 3D electrode microarchitectures. A variety of 3D battery electrode geometries are simulatedmore » and compared across various battery discharge rates and length scales in order to quantify performance trends and investigate geometrical factors that improve battery performance. The energy density and power density of the 3D battery microstructures are compared in several ways, including a uniform surface area to volume ratio comparison as well as a comparison requiring a minimum manufacturable feature size. Significant performance improvements over traditional particle bed electrode designs are observed, and electrode microarchitectures derived from minimal surfaces are shown to be superior. A reduced-order volume-averaged porous electrode theory formulation for these unique 3D batteries is also developed, allowing simulations on the full-battery scale. Electrode concentration gradients are modeled using the diffusion length method, and results for plate and cylinder electrode geometries are compared to particle-scale simulation results. Additionally, effective diffusion lengths that minimize error with respect to particle-scale results for gyroid and Schwarz P electrode microstructures are determined.« less

Absorption and scattering of laser radiation by the diffusion flame of aviation kerosene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gvozdev, S V; Glova, A F; Dubrovskii, V Yu

2012-04-30

The absorption coefficient of the radiation of a repetitively pulsed Nd : YAG laser with an average output power up to 6 W and of a cw ytterbium optical fibre laser with an output power up to 3 kW was measured in the diffusion flame of aviation kerosene burning on a free surface in the atmospheric air. The absorption coefficient as a function of flame length, radiation power, and radiation intensity, which was varied in the {approx}10{sup 3} - 5 Multiplication-Sign 10{sup 4} W cm{sup -2} range, was obtained for two distances (1 and 2 cm) between the laser beammore » axis and the surface. The coefficient of radiation absorption by kerosene flame was compared with that in ethanol and kerosene - ethanol mixture flames. The radiation power scattered by a small segment of the kerosene flame irradiated by Nd : YAG laser radiation was measured as a function of longitudinal and azimuthal coordinates. An estimate was made of the total scattered radiation power.« less

Ultrahigh-density sub-10 nm nanowire array formation via surface-controlled phase separation.

PubMed

Tian, Yuan; Mukherjee, Pinaki; Jayaraman, Tanjore V; Xu, Zhanping; Yu, Yongsheng; Tan, Li; Sellmyer, David J; Shield, Jeffrey E

2014-08-13

We present simple, self-assembled, and robust fabrication of ultrahigh density cobalt nanowire arrays. The binary Co-Al and Co-Si systems phase-separate during physical vapor deposition, resulting in Co nanowire arrays with average diameter as small as 4.9 nm and nanowire density on the order of 10(16)/m(2). The nanowire diameters were controlled by moderating the surface diffusivity, which affected the lateral diffusion lengths. High resolution transmission electron microscopy reveals that the Co nanowires formed in the face-centered cubic structure. Elemental mapping showed that in both systems the nanowires consisted of Co with undetectable Al or Si and that the matrix consisted of Al with no distinguishable Co in the Co-Al system and a mixture of Si and Co in the Co-Si system. Magnetic measurements clearly indicate anisotropic behavior consistent with shape anisotropy. The dynamics of nanowire growth, simulated using an Ising model, is consistent with the experimental phase and geometry of the nanowires.

Absorption and scattering of laser radiation by the diffusion flame of aviation kerosene

NASA Astrophysics Data System (ADS)

Gvozdev, S. V.; Glova, A. F.; Dubrovskii, V. Yu; Durmanov, S. T.; Krasyukov, A. G.; Lysikov, A. Yu; Smirnov, G. V.; Solomakhin, V. B.

2012-04-01

The absorption coefficient of the radiation of a repetitively pulsed Nd : YAG laser with an average output power up to 6 W and of a cw ytterbium optical fibre laser with an output power up to 3 kW was measured in the diffusion flame of aviation kerosene burning on a free surface in the atmospheric air. The absorption coefficient as a function of flame length, radiation power, and radiation intensity, which was varied in the ~103 — 5×104 W cm-2 range, was obtained for two distances (1 and 2 cm) between the laser beam axis and the surface. The coefficient of radiation absorption by kerosene flame was compared with that in ethanol and kerosene — ethanol mixture flames. The radiation power scattered by a small segment of the kerosene flame irradiated by Nd : YAG laser radiation was measured as a function of longitudinal and azimuthal coordinates. An estimate was made of the total scattered radiation power.

DNA concentration modulation on supported lipid bilayers switched by surface acoustic waves.

PubMed

Hennig, Martin; Wolff, Manuel; Neumann, Jürgen; Wixforth, Achim; Schneider, Matthias F; Rädler, Joachim O

2011-12-20

Spatially addressable arrays of molecules embedded in or anchored to supported lipid bilayers are important for on-chip screening and binding assays; however, methods to sort or accumulate components in a fluid membrane on demand are still limited. Here we apply in-plane surface acoustic shear waves (SAWs) to laterally accumulate double-stranded DNA segments electrostatically bound to a cationic supported lipid bilayer. The fluorescently labeled DNA segments are found to segregate into stripe patterns with a spatial frequency corresponding to the periodicity of the standing SAW wave (~10 μm). The DNA molecules are accumulated 10-fold in the regions of SAW antinodes. The superposition of two orthogonal sets of SAW sources creates checkerboard like arrays of DNA demonstrating the potential to generate arrayed fields dynamically. The pattern relaxation time of 0.58 s, which is independent of the segment length, indicates a sorting and relaxation mechanism dominated by lipid diffusion rather than DNA self-diffusion. © 2011 American Chemical Society

CoMn2O4 Spinel Hierarchical Microspheres Assembled with Porous Nanosheets as Stable Anodes for Lithium-ion Batteries

PubMed Central

Hu, Lin; Zhong, Hao; Zheng, Xinrui; Huang, Yimin; Zhang, Ping; Chen, Qianwang

2012-01-01

Herein, we report the feasibility to enhance the capacity and stability of CoMn2O4 anode materials by fabricating hierarchical mesoporous structure. The open space between neighboring nanosheets allows for easy diffusion of the electrolyte. The hierarchical microspheres assembled with nanosheets can ensure that every nanosheet participates in the electrochemical reaction, because every nanosheet is contacted with the electrolyte solution. The hierarchical structure and well interconnected pores on the surface of nanosheets will enhance the CoMn2O4/electrolyte contact area, shorten the Li+ ion diffusion length in the nanosheets, and accommodate the strain induced by the volume change during the electrochemical reaction. The last, hierarchical architecture with spherical morphology possesses relatively low surface energy, which results in less extent of self-aggregation during charge/discharge process. As a result, CoMn2O4 hierarchical microspheres can achieve a good cycle ability and high rate capability. PMID:23248749

Exciton Transport Simulations in Phenyl Cored Thiophene Dendrimers

NASA Astrophysics Data System (ADS)

Kim, Kwiseon; Erkan Kose, Muhammet; Graf, Peter; Kopidakis, Nikos; Rumbles, Garry; Shaheen, Sean E.

2009-03-01

Phenyl cored 3-arm and 4-arm thiophene dendrimers are promising materials for use in photovoltaic devices. It is important to understand the energy transfer mechanisms in these molecules to guide the synthesis of novel dendrimers with improved efficiency. A method is developed to estimate the exciton diffusion lengths for the dendrimers and similar chromophores in amorphous films. The approach exploits Fermi's Golden Rule to estimate the energy transfer rates for an ensemble of bimolecular complexes in random orientations. Using Poisson's equation to evaluate Coulomb integrals led to efficient calculation of excitonic couplings between the transition densities. Monte-Carlo simulations revealed the dynamics of energy transport in the dendrimers. Experimental exciton diffusion lengths of the dendrimers range 10 ˜ 20 nm, increasing with the size of the dendrimer. Simulated diffusion lengths correlate well with experiments. The chemical structure of the chromophore, the shape of the transition densities and the exciton lifetime are found to be the most important factors that determine the exciton diffusion length in amorphous films.

Carrier diffusion as a measure of carrier/exciton transfer rate in InAs/InGaAsP/InP hybrid quantum dot-quantum well structures emitting at telecom spectral range

NASA Astrophysics Data System (ADS)

Rudno-Rudziński, W.; Biegańska, D.; Misiewicz, J.; Lelarge, F.; Rousseau, B.; Sek, G.

2018-01-01

We investigate the diffusion of photo-generated carriers (excitons) in hybrid two dimensional-zero dimensional tunnel injection structures, based on strongly elongated InAs quantum dots (called quantum dashes, QDashes) of various heights, designed for emission at around 1.5 μm, separated by a 3.5 nm wide barrier from an 8 nm wide In0.64Ga0.36As0.78P0.22 quantum well (QW). By measuring the spectrally filtered real space images of the photoluminescence patterns with high resolution, we probe the spatial extent of the emission from QDashes. Deconvolution with the exciting light spot shape allows us to extract the carrier/exciton diffusion lengths. For the non-resonant excitation case, the diffusion length depends strongly on excitation power, pointing at carrier interactions and phonons as its main driving mechanisms. For the case of excitation resonant with absorption in the adjacent QW, the diffusion length does not depend on excitation power for low excitation levels since the generated carriers do not have sufficient excess kinetic energy. It is also found that the diffusion length depends on the quantum-mechanical coupling strength between QW and QDashes, controlled by changing the dash size. It influences the energy difference between the QDash ground state of the system and the quantum well levels, which affects the tunneling rates. When that QW-QDash level separation decreases, the probability of capturing excitons generated in the QW by QDashes increases, which is reflected by the decreased diffusion length from approx. 5 down to 3 μm.

Acid diffusion, standing waves, and information theory: a molecular-scale model of chemically amplified resist

NASA Astrophysics Data System (ADS)

Trefonas, Peter, III; Allen, Mary T.

1992-06-01

Shannon's information theory is adapted to analyze the photolithographic process, defining the mask pattern as the prior state. Definitions and constraints to the general theory are developed so that the information content at various stages of the lithographic process can be described. Its application is illustrated by exploring the information content within projected aerial images and resultant latent images. Next, a 3-dimensional molecular scale model of exposure, acid diffusion, and catalytic crosslinking in acid-hardened resists (AHR) is presented. In this model, initial positions of photogenerated acids are determined by probability functions generated from the aerial images and the local light intensity in the film. In order to simulate post-exposure baking processes, acids are diffused in a random walk manner, for which the catalytic chain length and the average distance between crosslinks can be set. Crosslink locations are defined in terms of the topologically minimized number required to link different chains. The size and location of polymer chains involved in a larger scale crosslinked network is established and related to polymer solubility. In this manner, the nature of the crosslinked latent image can be established. Good correlation with experimental data is found for the calculated percent insolubilization as a function of dose when the rms acid diffusion length is about 500 angstroms. Information analysis is applied in detail to the specific example of AHR chemistry. The information contained within the 3-D crosslinked latent image is explored as a function of exposure dose, catalytic chain length, average distance between crosslinks. Eopt (the exposure dose which optimizes the information contained within the latent image) was found to vary with catalytic chain length in a manner similar to that observed experimentally in a plot of E90 versus post-exposure bake time. Surprisingly, the information content of the crosslinked latent image remains high even when rms diffusion lengths are as long as 1500 angstroms. The information content of a standing wave is shown to decrease with increasing diffusion length, with essentially all standing wave information being lost at diffusion lengths greater than 450 angstroms. A unique mechanism for self-contrast enhancement and high resolution in AHR resist is proposed.

Nanoenergetics and High Hydrogen Content Materials for Space Propulsion

DTIC Science & Technology

2012-09-01

carried out in an effort to determine the mechanisms that account for the effect of catalysts. Diffusion flame lengths , crystal burn times, and...times. The diffusion flame length was found to increase proportionally with the propellant’s burning rate. The findings of this experimental study

Multiscale diffusion of a molecular probe in a crowded environment: a concept

NASA Astrophysics Data System (ADS)

Currie, Megan; Thao, Chang; Timerman, Randi; Welty, Robb; Berry, Brenden; Sheets, Erin D.; Heikal, Ahmed A.

2015-08-01

Living cells are crowded with macromolecules and organelles. Yet, it is not fully understood how macromolecular crowding affects the myriad of biochemical reactions, transport and the structural stability of biomolecules that are essential to cellular function and survival. These molecular processes, with or without electrostatic interactions, in living cells are therefore expected to be distinct from those carried out in test tube in dilute solutions where excluded volumes are absent. Thus there is an urgent need to understand the macromolecular crowding effects on cellular and molecular biophysics towards quantitative cell biology. In this report, we investigated how biomimetic crowding affects both the rotational and translation diffusion of a small probe (rhodamine green, RhG). For biomimetic crowding agents, we used Ficoll-70 (synthetic polymer), bovine serum albumin and ovalbumin (proteins) at various concentrations in a buffer at room temperature. As a control, we carried out similar measurements on glycerolenriched buffer as an environment with homogeneous viscosity as a function of glycerol concentration. The corresponding bulk viscosity was measured independently to test the validity of the Stokes-Einstein model of a diffusing species undergoing a random walk. For rotational diffusion (ps-ns time scale), we used time-resolved anisotropy measurements to examine potential binding of RhG as a function of the crowding agents (surface structure and size). For translational diffusion (μs-s time scale), we used fluorescence correlation spectroscopy for single-molecule fluctuation analysis. Our results allow us to examine the diffusion model of a molecular probe in crowded environments as a function of concentration, length scale, homogeneous versus heterogeneous viscosity, size and surface structures. These biomimetic crowding studies, using non-invasive fluorescence spectroscopy methods, represent an important step towards understanding cellular biophysics and quantitative cell biology.

Mutual influence of molecular diffusion in gas and surface phases

NASA Astrophysics Data System (ADS)

Hori, Takuma; Kamino, Takafumi; Yoshimoto, Yuta; Takagi, Shu; Kinefuchi, Ikuya

2018-01-01

We develop molecular transport simulation methods that simultaneously deal with gas- and surface-phase diffusions to determine the effect of surface diffusion on the overall diffusion coefficients. The phenomenon of surface diffusion is incorporated into the test particle method and the mean square displacement method, which are typically employed only for gas-phase transport. It is found that for a simple cylindrical pore, the diffusion coefficients in the presence of surface diffusion calculated by these two methods show good agreement. We also confirm that both methods reproduce the analytical solution. Then, the diffusion coefficients for ink-bottle-shaped pores are calculated using the developed method. Our results show that surface diffusion assists molecular transport in the gas phase. Moreover, the surface tortuosity factor, which is known to be uniquely determined by physical structure, is influenced by the presence of gas-phase diffusion. This mutual influence of gas-phase diffusion and surface diffusion indicates that their simultaneous calculation is necessary for an accurate evaluation of the diffusion coefficients.

Coherent centres for light amplification in coupled waveguide arrays

NASA Astrophysics Data System (ADS)

Tripathi, Aditya; Kumar, Sunil

2018-07-01

In the study of optical lattices of waveguides, incorporation of nearest neighbour coupling and controllable nonlinearity can result in many interesting phenomena such as discrete diffraction, Anderson localization, diffusive transport, self-defocusing, discrete spatial solitons and discrete photonic resonances. The question of reflecting boundaries at the surfaces has been ignored most often. In the present study, we have shown through a simple one-dimensional waveguide array that light propagation gets completely modified along the length if effects from reflecting boundaries are also considered. We have shown only by considering the coupling on between neighbouring waveguides that there are periodic maximum power centres along the length of the excited waveguides which can be desirable for placing optical amplifiers in short or long distance communication and other applications.

Twisted, multifilament Nb3Sn superconductive ribbon

NASA Technical Reports Server (NTRS)

Coles, W. D.

1972-01-01

An experimental study of superconductor stabilization has resulted in the successful application of the concepts of filamentary structure and conductor twist to Nb3Sn ribbon. The Nb3Sn is formed in parallel, helical paths, which are continuous around the ribbon. Short lengths (12-18cm) of 1.27 cm wide superconductive ribbon were produced. The filamentary and twist characteristics are incorporated in the ribbon by means of an inert mask formed on the ribbon surface early in the fabrication process. Diffusion reaction of the niobium and tin is prevented at the filament boundaries. Described are the conductor methods of fabrication, and test results obtained. The technology required to adapt the processes for the production of long lengths of ribbon is available.

Lung Morphometry with Hyperpolarized 129Xe: Theoretical Background

PubMed Central

Sukstanskii, A.L.; Yablonskiy, D.A.

2011-01-01

The 3He lung morphometry technique, based on MRI measurements of hyperpolarized 3He gas diffusion in lung airspaces, provides unique information on the lung microstructure at the alveolar level. In vivo 3D tomographic images of standard morphological parameters (airspace chord length, lung parenchyma surface-to-volume ratio, number of alveoli per unit volume) can be generated from a rather short (several seconds) MRI scan. The technique is based on a theory of gas diffusion in lung acinar airways and experimental measurements of diffusion attenuated MRI signal. The present work aims at developing the theoretical background of a similar technique based on hyperpolarized 129Xe gas. As the diffusion coefficient and gyromagnetic ratio of 129Xe gas are substantially different from those of 3He gas, the specific details of the theory and experimental measurements with 129Xe should be amended. We establish phenomenological relationships between acinar airway geometrical parameters and the diffusion attenuated MR signal for human and small animal lungs, both normal lungs and lungs with mild emphysema. Optimal diffusion times are shown to be about 5 ms for human and 1.3 ms for small animals. The expected uncertainties in measuring main morphometrical parameters of the lungs are estimated in the framework of Bayesian probability theory. PMID:21713985

Heat treatment of bulk gallium arsenide using a phosphosilicate glass cap

NASA Technical Reports Server (NTRS)

Mathur, G.; Wheaton, M. L.; Borrego, J. M.; Ghandhi, S. K.

1985-01-01

n-type bulk GaAs crystals, capped with chemically vapor-deposited phosphosilicate glass, were heat treated at temperatures in the range of 600 to 950 C. Measurements on Schottky diodes and solar cells fabricated on the heat-treated material, after removal of a damaged surface layer, show an increase in free-carrier concentration, in minority-carrier-diffusion length, and in solar-cell short-circuit current. The observed changes are attributed to a removal of lifetime-reducing acceptorlike impurities, defects, or their complexes.

Analysis of defect structure in silicon. Characterization of samples from UCP ingot 5848-13C

NASA Technical Reports Server (NTRS)

Natesh, R.; Guyer, T.; Stringfellow, G. B.

1982-01-01

Statistically significant quantitative structural imperfection measurements were made on samples from ubiquitous crystalline process (UCP) Ingot 5848 - 13 C. Important trends were noticed between the measured data, cell efficiency, and diffusion length. Grain boundary substructure appears to have an important effect on the conversion efficiency of solar cells from Semix material. Quantitative microscopy measurements give statistically significant information compared to other microanalytical techniques. A surface preparation technique to obtain proper contrast of structural defects suitable for QTM analysis was perfected.

Forward and back diffusion through argillaceous formations

NASA Astrophysics Data System (ADS)

Yang, Minjune; Annable, Michael D.; Jawitz, James W.

2017-05-01

The exchange of solutes between aquifers and lower-permeability argillaceous formations is of considerable interest for solute and contaminant fate and transport. We present a synthesis of analytical solutions for solute diffusion between aquifers and single aquitard systems, validated in well-controlled experiments, and applied to several data sets from laboratory and field-scale problems with diffusion time and length scales ranging from 10-2 to 108 years and 10-2 to 102 m. One-dimensional diffusion models were applied using the method of images to consider the general cases of a finite aquitard bounded by two aquifers at the top and bottom, or a semiinfinite aquitard bounded by an aquifer. The simpler semiinfinite equations are appropriate for all domains with dimensionless relative diffusion length, ZD < 0.7. At dimensionless length scales above this threshold, application of semiinfinite equations to aquitards of finite thickness leads to increasing errors and solutions based on the method of images are required. Measured resident solute concentration profiles in aquitards and flux-averaged solute concentrations in surrounding aquifers were accurately modeled by appropriately accounting for generalized dynamic aquifer-aquitard boundary conditions, including concentration gradient reversals. Dimensionless diffusion length scales were used to illustrate the transferability of these relatively simple models to physical systems with dimensions that spanned 10 orders of magnitude. The results of this study offer guidance on the application of a simplified analytical approach to environmentally important layered problems with one or two diffusion interfaces.

GaSb and Ga1-xInxSb Thermophotovoltaic Cells using Diffused Junction Technology in Bulk Substrates

NASA Astrophysics Data System (ADS)

Dutta, P. S.; Borrego, J. M.; Ehsani, H.; Rajagopalan, G.; Bhat, I. B.; Gutmann, R. J.; Nichols, G.; Baldasaro, P. F.

2003-01-01

This paper presents results of experimental and theoretical research on antimonide- based thermophotovoltaic (TPV) materials and cells. The topics discussed include: growth of large diameter ternary GaInSb bulk crystals, substrate preparation, diffused junction processes, cell fabrication and characterization, and, cell modeling. Ternary GaInSb boules up to 2 inches in diameter have been grown using the vertical Bridgman technique with a novel self solute feeding technique. A single step diffusion process followed by precise etching of the diffused layer has been developed to obtain a diffusion profile appropriate for high efficiency, p-n junction GaSb and GaInSb thermophotovoltaic cells. The optimum junction depth to obtain the highest quantum efficiency and open circuit voltage has been identified based on diffusion lengths (or minority carrier lifetimes), carrier mobility and experimental diffused impurity profiles. Theoretical assessment of the performance of ternary (GaInSb) and binary (GaSb) cells fabricated by Zn diffusion in bulk substrates has been performed using PC-1D one-dimensional computer simulations. Several factors affecting the cell performances such as the effects of emitter doping profile, emitter thickness and recombination mechanisms (Auger, radiative and Shockley-Read-Hall), the advantages of surface passivation and the impact of dark current due to the metallic grid will be discussed. The conditions needed for diffused junction cells on ternary and binary substrates to achieve similar performance to the epitaxially grown lattice- matched quaternary cells are identified.

A computational kinetic model of diffusion for molecular systems.

PubMed

Teo, Ivan; Schulten, Klaus

2013-09-28

Regulation of biomolecular transport in cells involves intra-protein steps like gating and passage through channels, but these steps are preceded by extra-protein steps, namely, diffusive approach and admittance of solutes. The extra-protein steps develop over a 10-100 nm length scale typically in a highly particular environment, characterized through the protein's geometry, surrounding electrostatic field, and location. In order to account for solute energetics and mobility of solutes in this environment at a relevant resolution, we propose a particle-based kinetic model of diffusion based on a Markov State Model framework. Prerequisite input data consist of diffusion coefficient and potential of mean force maps generated from extensive molecular dynamics simulations of proteins and their environment that sample multi-nanosecond durations. The suggested diffusion model can describe transport processes beyond microsecond duration, relevant for biological function and beyond the realm of molecular dynamics simulation. For this purpose the systems are represented by a discrete set of states specified by the positions, volumes, and surface elements of Voronoi grid cells distributed according to a density function resolving the often intricate relevant diffusion space. Validation tests carried out for generic diffusion spaces show that the model and the associated Brownian motion algorithm are viable over a large range of parameter values such as time step, diffusion coefficient, and grid density. A concrete application of the method is demonstrated for ion diffusion around and through the Eschericia coli mechanosensitive channel of small conductance ecMscS.

Border-crossing model for the diffusive coarsening of two-dimensional and quasi-two-dimensional wet foams

NASA Astrophysics Data System (ADS)

Schimming, C. D.; Durian, D. J.

2017-09-01

For dry foams, the transport of gas from small high-pressure bubbles to large low-pressure bubbles is dominated by diffusion across the thin soap films separating neighboring bubbles. For wetter foams, the film areas become smaller as the Plateau borders and vertices inflate with liquid. So-called "border-blocking" models can explain some features of wet-foam coarsening based on the presumption that the inflated borders totally block the gas flux; however, this approximation dramatically fails in the wet or unjamming limit where the bubbles become close-packed spheres and coarsening proceeds even though there are no films. Here, we account for the ever-present border-crossing flux by a new length scale defined by the average gradient of gas concentration inside the borders. We compute that it is proportional to the geometric average of film and border thicknesses, and we verify this scaling by numerical solution of the diffusion equation. We similarly consider transport across inflated vertices and surface Plateau borders in quasi-two-dimensional foams. And we show how the d A /d t =K0(n -6 ) von Neumann law is modified by the appearance of terms that depend on bubble size and shape as well as the concentration gradient length scales. Finally, we use the modified von Neumann law to compute the growth rate of the average bubble area, which is not constant.

Impact of pentacene film thickness on the photoresponse spectra: Determination of the photocarrier generation mechanism

NASA Astrophysics Data System (ADS)

Gorgolis, S.; Giannopoulou, A.; Anastassopoulos, D.; Kounavis, P.

2012-07-01

Photocurrent response, optical absorption, and x-ray diffraction (XRD) measurements in pentacene films grown on glass substrates are performed in order to obtain an insight into the mobile photocarriers generation mechanism. For film thickness of the order of 50 nm and lower, the photocurrent response spectra are found to follow the optical absorption spectra demonstrating the so-called symbatic response. Upon increasing the film thickness, the photoresponse demonstrates a transition to the so-called antibatic response, which is characterized by a maximum and minimum photocurrent for photon energies of minimum and maximum optical absorption, respectively. The experimental results are not in accordance with the model of important surface recombination rate. By taking into account the XRD patterns, the experimental photoresponse spectra can be reproduced by model simulations assuming efficient exciton dissociation at a narrow layer of the order of 20 nm near the pentacene-substrate interface. The simulated spectra are found sensitive to the film thickness, the absolute optical absorption coefficient, and the diffusion exciton length. By comparing the experimental with the simulated spectra, it is deduced that the excitons, which are created by optical excitation in the spectral region of 1.7-2.2 eV, diffuse with a diffusion length of the order of 10-80 nm to the pentacene-substrate interface where efficiently dissociate into mobile charge carriers.

Image correlation microscopy for uniform illumination.

PubMed

Gaborski, T R; Sealander, M N; Ehrenberg, M; Waugh, R E; McGrath, J L

2010-01-01

Image cross-correlation microscopy is a technique that quantifies the motion of fluorescent features in an image by measuring the temporal autocorrelation function decay in a time-lapse image sequence. Image cross-correlation microscopy has traditionally employed laser-scanning microscopes because the technique emerged as an extension of laser-based fluorescence correlation spectroscopy. In this work, we show that image correlation can also be used to measure fluorescence dynamics in uniform illumination or wide-field imaging systems and we call our new approach uniform illumination image correlation microscopy. Wide-field microscopy is not only a simpler, less expensive imaging modality, but it offers the capability of greater temporal resolution over laser-scanning systems. In traditional laser-scanning image cross-correlation microscopy, lateral mobility is calculated from the temporal de-correlation of an image, where the characteristic length is the illuminating laser beam width. In wide-field microscopy, the diffusion length is defined by the feature size using the spatial autocorrelation function. Correlation function decay in time occurs as an object diffuses from its original position. We show that theoretical and simulated comparisons between Gaussian and uniform features indicate the temporal autocorrelation function depends strongly on particle size and not particle shape. In this report, we establish the relationships between the spatial autocorrelation function feature size, temporal autocorrelation function characteristic time and the diffusion coefficient for uniform illumination image correlation microscopy using analytical, Monte Carlo and experimental validation with particle tracking algorithms. Additionally, we demonstrate uniform illumination image correlation microscopy analysis of adhesion molecule domain aggregation and diffusion on the surface of human neutrophils.

The Effect of Limited Diffusion and Wet-Dry Cycling on Reversible Polymerization Reactions: Implications for Prebiotic Synthesis of Nucleic Acids.

PubMed

Higgs, Paul G

2016-06-08

A long-standing problem for the origins of life is that polymerization of many biopolymers, including nucleic acids and peptides, is thermodynamically unfavourable in aqueous solution. If bond making and breaking is reversible, monomers and very short oligomers predominate. Recent experiments have shown that wetting and drying cycles can overcome this problem and drive the formation of longer polymers. In the dry phase, bond formation is favourable, but diffusion is restricted, and bonds only form between monomers that are initially close together. In the wet phase, some of the bonds are hydrolyzed. However, repositioning of the molecules allows new bonds to form in the next dry phase, leading to an increase in mean polymer length. Here, we consider a simple theoretical model that explains the effect of cycling. There is an equilibrium length distribution with a high mean length that could be achieved if diffusion occurred freely in the dry phase. This equilibrium is inaccessible without diffusion. A single dry cycle without diffusion leads to mean lengths much shorter than this. Repeated cycling leads to a significant increase in polymerization relative to a single cycle. In the most favourable case, cycling leads to the same equilibrium length distribution as would be achieved if free diffusion were possible in the dry phase. These results support the RNA World scenario by explaining a potential route to synthesis of long RNAs; however, they also imply that cycling would be beneficial to the synthesis of other kinds of polymers, including peptides, where bond formation involves a condensation reaction.

The Effect of Limited Diffusion and Wet–Dry Cycling on Reversible Polymerization Reactions: Implications for Prebiotic Synthesis of Nucleic Acids

PubMed Central

Higgs, Paul G.

2016-01-01

A long-standing problem for the origins of life is that polymerization of many biopolymers, including nucleic acids and peptides, is thermodynamically unfavourable in aqueous solution. If bond making and breaking is reversible, monomers and very short oligomers predominate. Recent experiments have shown that wetting and drying cycles can overcome this problem and drive the formation of longer polymers. In the dry phase, bond formation is favourable, but diffusion is restricted, and bonds only form between monomers that are initially close together. In the wet phase, some of the bonds are hydrolyzed. However, repositioning of the molecules allows new bonds to form in the next dry phase, leading to an increase in mean polymer length. Here, we consider a simple theoretical model that explains the effect of cycling. There is an equilibrium length distribution with a high mean length that could be achieved if diffusion occurred freely in the dry phase. This equilibrium is inaccessible without diffusion. A single dry cycle without diffusion leads to mean lengths much shorter than this. Repeated cycling leads to a significant increase in polymerization relative to a single cycle. In the most favourable case, cycling leads to the same equilibrium length distribution as would be achieved if free diffusion were possible in the dry phase. These results support the RNA World scenario by explaining a potential route to synthesis of long RNAs; however, they also imply that cycling would be beneficial to the synthesis of other kinds of polymers, including peptides, where bond formation involves a condensation reaction. PMID:27338479

Two Birds with One Stone: Tailoring Singlet Fission for Both Triplet Yield and Exciton Diffusion Length

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Tong; Wan, Yan; Guo, Zhi

2016-06-27

By direct imaging of singlet and triplet populations with ultrafast microscopy, it is shown that the triplet diffusion length and singlet fission yield can be simultaneously optimized for tetracene and its derivatives, making them ideal structures for application in bilayer solar cells.

Meso and Micro Scale Propulsion Concepts for Small Spacecraft

DTIC Science & Technology

2006-07-28

flame length , QF is the volumetric flow rate of the fuel, D is the binary diffusion coefficient of the fuel in the oxidizer, and YFsoi, is the...R, can yield the same flame length . Most laminar diffusion flames are buoyancy-controlled since a small exit velocity is generally required to

Toward understanding dynamic annealing processes in irradiated ceramics

NASA Astrophysics Data System (ADS)

Myers, Michael Thomas

High energy particle irradiation inevitably generates defects in solids in the form of collision cascades. The ballistic formation and thermalization of cascades occur rapidly and are believed to be reasonably well understood. However, knowledge of the evolution of defects after damage cascade thermalization, referred to as dynamic annealing, is quite limited. Unraveling the mechanisms associated with dynamic an- nealing is crucial since such processes play an important role in the formation of stable post-irradiation disorder in ion-beam-processed semiconductors and determines the "radiation tolerance" of many nuclear materials. The purpose of this dissertation is to further our understanding of the processes involved in dynamic annealing. In order to achieve this, two main tasks are undertaken. First, the effects of dynamic annealing are investigated in ZnO, a technologically relevant material that exhibits very high dynamic defect annealing at room temper- ature. Such high dynamic annealing leads to unusual defect accumulation in heavy ion bombarded ZnO. Through this work, the puzzling features that were observed more than a decade ago in ion-channeling spectra have finally been explained. We show that the presence of a polar surface substantially alters damage accumulation. Non-polar surface terminations of ZnO are shown to exhibit enhanced dynamic an- nealing compared to polar surface terminated ZnO. Additionally, we demonstrate one method to reduce radiation damage in polar surface terminated ZnO by means of a surface modification. These results advance our efforts in the long-sought-after goal of understanding complex radiation damage processes in ceramics. Second, a pulsed-ion-beam method is developed and demonstrated in the case of Si as a prototypical non-metallic target. Such a method is shown to be a novel experimental technique for direct extraction of dynamic annealing parameters. The relaxation times and effective diffusion lengths of mobile defects during the dynamic annealing process play a vital role in damage accumulation. We demonstrate that these parameters dominate the formation of stable post-irradiation disorder. In Si, a defect lifetime of ˜ 6 ms and a characteristic defect diffusion length of ˜ 30 nm are measured. These results should nucleate future pulsed-beam studies of dynamic defect interaction processes in technologically relevant materials. In particular, un- derstanding length- and time-scales of defect interactions are essential for extending laboratory findings to nuclear material lifetimes and to the time-scales of geological storage of nuclear waste.

Spin diffusion in disordered organic semiconductors

NASA Astrophysics Data System (ADS)

Li, Ling; Gao, Nan; Lu, Nianduan; Liu, Ming; Bässler, Heinz

2015-12-01

An analytical theory for spin diffusion in disordered organic semiconductors is derived. It is based on percolation theory and variable range hopping in a disordered energy landscape with a Gaussian density of states. It describes universally the dependence of the spin diffusion on temperature, carrier density, material disorder, magnetic field, and electric field at the arbitrary magnitude of the Hubbard energy of charge pairs. It is found that, compared to the spin transport carried by carriers hopping, the spin exchange will hinder the spin diffusion process at low carrier density, even under the condition of a weak electric field. Importantly, under the influence of a bias voltage, anomalous spreading of the spin packet will lead to an abnormal temperature dependence of the spin diffusion coefficient and diffusion length. This explains the recent experimental data for spin diffusion length observed in Alq3.

Cylindrical diffuser performance using a truncated plug nozzle

NASA Technical Reports Server (NTRS)

Galanga, F. L.; Mueller, T. J.

1976-01-01

Cylindrical diffuser performance for a truncated plug nozzle without external flow was tested in a blowdown wind tunnel. The nozzle was designed for an exit Mach number of 1.9 and the plug was conical in shape from the throat and converged to the axis of symmetry at an angle of 10 degrees. The diffuser section was fashioned into two 13.97 cm lengths to facilitate boring of the duct diameter and to allow for testing of two different duct lengths. A slotted hypotube was installed in the base of the diffuser to measure pressure distribution down the centerline of the diffuser. The data obtained included: the typical centerline and sidewall pressure ratio variation along the diffuser, cell pressure ratio vs overall pressure ratio for long and short diffusers and a comparison of minimum experimental cell pressure ratio vs area ratio.

Step Permeability on the Pt(111) Surface

NASA Astrophysics Data System (ADS)

Altman, Michael

2005-03-01

Surface morphology will be affected, or even dictated, by kinetic limitations that may be present during growth. Asymmetric step attachment is recognized to be an important and possibly common cause of morphological growth instabilities. However, the impact of this kinetic limitation on growth morphology may be hindered by other factors such as the rate limiting step and step permeability. This strongly motivates experimental measurements of these quantities in real systems. Using low energy electron microscopy, we have measured step flow velocities in growth on the Pt(111) surface. The dependence of step velocity upon adjacent terrace width clearly shows evidence of asymmetric step attachment and step permeability. Step velocity is modeled by solving the diffusion equation simultaneously on several adjacent terraces subject to boundary conditions at intervening steps that include asymmetric step attachment and step permeability. This analysis allows a quantitative evaluation of step permeability and the kinetic length, which characterizes the rate limiting step continuously between diffusion and attachment-detachment limited regimes. This work provides information that is greatly needed to set physical bounds on the parameters that are used in theoretical treatments of growth. The observation that steps are permeable even on a simple metal surface should also stimulate more experimental measurements and theoretical treatments of this effect.

Single stage, low noise, advanced technology fan. Volume 1: Aerodynamic design

NASA Technical Reports Server (NTRS)

Sullivan, T. J.; Younghans, J. L.; Little, D. R.

1976-01-01

The aerodynamic design for a half-scale fan vehicle, which would have application on an advanced transport aircraft, is described. The single stage advanced technology fan was designed to a pressure ratio of 1.8 at a tip speed of 503 m/sec 11,650 ft/sec). The fan and booster components are designed in a scale model flow size convenient for testing with existing facility and vehicle hardware. The design corrected flow per unit annulus area at the fan face is 215 kg/sec sq m (44.0 lb m/sec sq ft) with a hub-tip ratio of 0.38 at the leading edge of the fan rotor. This results in an inlet corrected airflow of 117.9 kg/sec (259.9 lb m/sec) for the selected rotor tip diameter if 90.37 cm (35.58 in.). The variable geometry inlet is designed utilizing a combination of high throat Mach number and acoustic treatment in the inlet diffuser for noise suppression (hybrid inlet). A variable fan exhaust nozzle was assumed in conjunction with the variable inlet throat area to limit the required area change of the inlet throat at approach and hence limit the overall diffusion and inlet length. The fan exit duct design was primarily influenced by acoustic requirements, including length of suppressor wall treatment; length, thickness and position on a duct splitter for additional suppressor treatment; and duct surface Mach numbers.

Computational analysis of electrokinetically driven flow mixing in microchannels with patterned blocks

NASA Astrophysics Data System (ADS)

Chang, C.-C.; Yang, R.-J.

2004-04-01

Electroosmotic flow in microchannels is restricted to low Reynolds number regimes characterized by extremely weak inertia forces and laminar flow. Consequently, the mixing of different species occurs primarily through diffusion, and hence cannot readily be achieved within a short mixing channel. The current study presents a numerical investigation of electrokinetically driven flow mixing in microchannels with various numbers of incorporated patterned rectangular blocks. Furthermore, a novel approach is introduced which patterns heterogeneous surfaces on the upper faces of these rectangular blocks in order to enhance species mixing. The simulation results confirm that the introduction of rectangular blocks within the mixing channel slightly enhances species mixing by constricting the bulk flow, hence creating a stronger diffusion effect. However, it is noted that a large number of blocks and hence a long mixing channel are required if a complete mixing of the species is to be obtained. The results also indicate that patterning heterogeneous upper surfaces on the rectangular blocks is an effective means of enhancing the species mixing. It is shown that increasing the magnitude of the heterogeneous surface zeta potential enables a reduction in the mixing channel length and an improved degree of mixing efficiency.

Anisotropic diffusion and capture on surfaces: Time dependent modeling and visualization in 2 dimensions

NASA Astrophysics Data System (ADS)

Yang, Pu

Since the application of nanowires may lead to a new generation of electronic, optoelectronic and magnetic devices, there is much research on understanding the growth mechanism of various "self assembled" nanowires on semiconductor surfaces. The motivation of the present work is to use theoretical modeling to study the conditions required to form and grow elongated islands and nanowires. In this work, a modeling method is developed to study the time-dependent anisotropic diffusion and growth in two dimensions for an array of rectangular islands. This method uses discrete Fast Fourier Transformation (FFT) to solve the time-dependent diffusion equation on the surface. The ad-particles are captured and incorporated to the island edge to simulate island growth. Implemented in MATLABRTM programs, this model produces expected faceted shapes; the calculation runs very fast on a common personal computer. Time-dependent island growth and the evolving diffusion field have been visualized using simple MATLABRTM functions and can be made into MATLABRTM movies. This modeling method is applied to simulate elongated island and nanowire growth by incorporating anisotropic bonding at the island edge. When there is a full sink in one direction and partial sink in the other direction at the island edge, the model results in the growth of an elongated island with an aspect ratio that stabilizes after it reaches a certain value. This result agrees with experimental data on "endotaxial" nanowire growth. For the island edge with a full sink in one direction and no sink in the other direction, the island grows in length with constant width, which is comparable to experimental data on Bi nanoline and rare-earth metal nanowire growth.

Ion beam analyses of radionuclide migration in heterogeneous rocks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alonso, Ursula; Missana, Tiziana; Garcia-Gutierrez, Miguel

2013-07-18

The migration of radionuclides (RN) in the environment is a topic of general interest, for its implications on public health, and it is an issue for the long-term safety studies of deep geological repositories (DGR) for high-level radioactive waste. The role played by colloids on RN migration is also of great concern. Diffusion and sorption are fundamental mechanisms controlling RN migration in rocks and many experimental approaches are applied to determine transport parameters for low sorbing RN in homogeneous rocks. However, it is difficult to obtain relevant data for high sorbing RN or colloids, for which diffusion lengths are extremelymore » short, or within heterogeneous rocks, where transport might be different in different minerals. The ion beam techniques Rutherford Backscattering Spectrometry (RBS) and micro-Particle Induced X-Ray Emission ({mu}PIXE), rarely applied in the field, were selected for their micro-analytical potential to study RN diffusion and surface retention within heterogeneous rocks. Main achievements obtained during last 12 years are highlighted.« less

A Full Navier-Stokes Analysis of Subsonic Diffuser of a Bifurcated 70/30 Supersonic Inlet for High Speed Civil Transport Application

NASA Technical Reports Server (NTRS)

Kapoor, Kamlesh; Anderson, Bernhard H.; Shaw, Robert J.

1994-01-01

A full Navier-Stokes analysis was performed to evaluate the performance of the subsonic diffuser of a NASA Lewis Research Center 70/30 mixed-compression bifurcated supersonic inlet for high speed civil transport application. The PARC3D code was used in the present study. The computations were also performed when approximately 2.5 percent of the engine mass flow was allowed to bypass through the engine bypass doors. The computational results were compared with the available experimental data which consisted of detailed Mach number and total pressure distribution along the entire length of the subsonic diffuser. The total pressure recovery, flow distortion, and crossflow velocity at the engine face were also calculated. The computed surface ramp and cowl pressure distributions were compared with experiments. Overall, the computational results compared well with experimental data. The present CFD analysis demonstrated that the bypass flow improves the total pressure recovery and lessens flow distortions at the engine face.

Embedding of electrodes within a microchannel interfacing a permselective medium for sensing and active control of the concentration-polarization layer

NASA Astrophysics Data System (ADS)

Yossifon, Gilad; Park, Sinwook

2016-11-01

Previously, it has been shown that for a prescribed system, the diffusion length may be affected by any number of mechanisms including natural and forced convection, electroosmotic flow of the second kind and electro-convective instability. In all of the above mentioned cases the length of the diffusion layer is indirectly prescribed by the complicated competition between several mechanisms which are primarily dictated by the various system parameters and applied voltage. In contrast, we suggest that by embedding electrodes/heaters within a microchannel interfacing a permselective medium, the diffusion layer length may be controlled regardless of the dominating overlimiting current mechanism and system parameters. As well as demonstrating that the simple presence of electrodes can enhance mixing via induced-charge electrokinetic effects, we also offer a means of externally activating embedded electrodes and heaters to maintain external, dynamic control of the diffusion length. Such control is particularly important in applications requiring intense ion transport, such as electrodialysis. At the same time, we will also investigate means of suppressing these mechanisms which is of fundamental importance for sensing applications.

Increase in the diffusion length of minority carriers in Al{sub x}Ga{sub 1–x}N alloys ({sub x} = 0–0.1) fabricated by ammonia molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malin, T. V., E-mail: mal-tv@mail.ru; Gilinsky, A. M.; Mansurov, V. G.

2015-10-15

The room-temperature diffusion length of minority carriers in n-Al{sub 0.1}Ga{sub 0.9}N layers grown by ammonia molecular beam epitaxy on sapphire (0001) substrates used in structures for ultraviolet photodetectors is studied. Measurements were performed using the spectral dependence of the photocurrent recorded in a built-in p–n junction for thin samples and using the induced electron-current procedure for films up to 2 µm thick. The results show that the hole diffusion length in n-AlGaN films is 120–150 nm, which is larger than in GaN films grown under similar growth conditions by a factor of 3–4. This result can be associated with themore » larger lateral sizes characteristic of hexagonal columns in AlGaN layers grown by molecular beam epitaxy. No increase in the hole diffusion length is observed for thicker films.« less

Impact of Planetary Boundary Layer Depth on Climatological Tracer Transport in the GEOS-5 AGCM

NASA Astrophysics Data System (ADS)

McGrath-Spangler, E. L.; Molod, A.

2013-12-01

Planetary boundary layer (PBL) processes have large implications for tropospheric tracer transport since surface fluxes are diluted by the depth of the PBL through vertical mixing. However, no consensus on PBL depth definition currently exists and various methods for estimating this parameter can give results that differ by hundreds of meters or more. In order to facilitate comparisons between the Goddard Earth Observation System (GEOS-5) and other modeling and observational systems, seven PBL depth estimation methods are used to diagnose PBL depth and produce climatologies that are evaluated here. All seven methods evaluate a single atmosphere so differences are related solely to the definition chosen. PBL depths that are estimated using a Richardson number are shallower than those given by methods based on the scalar diffusivity during warm, moist conditions at midday and collapse to lower values at night. In GEOS-5, the PBL depth is used in the estimation of the turbulent length scale and so impacts vertical mixing. Changing the method used to determine the PBL depth for this length scale thus changes the tracer transport. Using a bulk Richardson number method instead of a scalar diffusivity method produces changes in the quantity of Saharan dust lofted into the free troposphere and advected to North America, with more surface dust in North America during boreal summer and less in boreal winter. Additionally, greenhouse gases are considerably impacted. During boreal winter, changing the PBL depth definition produces carbon dioxide differences of nearly 5 ppm over Siberia and gradients of about 5 ppm over 1000 km in Europe. PBL depth changes are responsible for surface carbon monoxide changes of 20 ppb or more over the biomass burning regions of Africa.

Use of a corrugated surface to enhance radiation tolerance in a GaAs solar cell

NASA Technical Reports Server (NTRS)

Leon, Rosa P.; Piszczor, Michael F., Jr.

1985-01-01

The use of a corrugated surface on a GaAs solar cell and its effects on radiation resistance were studied. A compute code was developed to determine the performance of the cell for various geometric parameters. The large optical absorption coefficient of GaAs allows grooves to be only 4-5 micrometers deep. Using accepted material parameters for GaAs solar cells the theoretical performances were compared for various corrugated cells before and after minority carrier diffusion length degradation. The total power output was maximized for both n(+)/p and p(+)/n cells. Optimum values of 1.0-1.5 and 5.0 micrometers for groove and ridge widths respectively were determined.

Determination of Flaw Size from Thermographic Data

NASA Technical Reports Server (NTRS)

Winfree, William P.; Howell, Patricia A.; Zalameda, Joseph N.

2014-01-01

Conventional methods for reducing the pulsed thermographic responses of delaminations tend to overestimate the size of the flaw. Since the heat diffuses in the plane parallel to the surface, the resulting temperature profile over the flaw is larger than the flaw. A variational method is presented for reducing the thermographic data to produce an estimated size for the flaw that is much closer to the true size of the flaw. The size is determined from the spatial thermal response of the exterior surface above the flaw and a constraint on the length of the contour surrounding the flaw. The technique is applied to experimental data acquired on a flat bottom hole composite specimen.

Understanding molecular structure dependence of exciton diffusion in conjugated small molecules

NASA Astrophysics Data System (ADS)

Li, Zi; Zhang, Xu; Woellner, Cristiano F.; Lu, Gang

2014-04-01

First-principles simulations are carried out to understand molecular structure dependence of exciton diffusion in a series of small conjugated molecules arranged in a disordered, crystalline, and blend structure. Exciton diffusion length (LD), lifetime, and diffusivity in four diketopyrrolopyrrole derivatives are calculated and the results compare very well with experimental values. The correlation between exciton diffusion and molecular structure is examined in detail. In the disordered molecule structure, a longer backbone length leads to a shorter exciton lifetime and a higher exciton diffusivity, but it does not change LD substantially. Removal of the end alkyl chains or the extra branch on the side alkyl chains reduces LD. In the crystalline structure, exciton diffusion exhibits a strong anisotropy whose origin can be elucidated from the intermolecular transition density interaction point of view. In the blend structure, LD increases with the crystalline ratios, which are estimated and consistent with the experimental results.

Strongly extended diffusion length for the nonequilibrium magnons in Y 3 F e 5 O 12 by photoexcitation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, S. H.; Li, G.; Guo, E. J.

Y 3Fe 5O 12 (YIG) is known for its long magnon diffusion length. Although it has the known lowest damping rate, an even longer diffusion distance is still highly desired since it may lead to a much more efficient information transmission and processing. While most of previous works focused on the generation and detection of magnons in YIG, here we demonstrate how to depress the damping rate during the diffusion of magnon. By selectively exciting the spin state transition of the Fe ions in YIG, we successfully increase magnon diffusion length by one order of magnitude, i.e., from the previousmore » reported ~10 μm up to ~156 μm (for the sample prepared by liquid phase epitaxy) and ~180 μm (for the sample prepared by pulsed laser deposition) at room temperature. The diffusion length, determined by nonlocal geometry, is ~30 μm for the magnons induced by visible light and above 150 μm for the laser of 980 nm. In addition to thermal gradient, light excitation affects the electron configuration of the Fe 3+ ion in YIG. Long-wavelength laser is more effective since it causes a transition of the Fe 3+ ions in FeO 6 octahedron from a high spin to a low spin state and thus causes a magnon softening which favors a long-distance diffusion. Furthermore, the present work paves the way toward an efficient tuning of magnon transport which is crucially important for magnon spintronics.« less

Strongly extended diffusion length for the nonequilibrium magnons in Y 3 F e 5 O 12 by photoexcitation

DOE PAGES

Wang, S. H.; Li, G.; Guo, E. J.; ...

2018-05-09

Y 3Fe 5O 12 (YIG) is known for its long magnon diffusion length. Although it has the known lowest damping rate, an even longer diffusion distance is still highly desired since it may lead to a much more efficient information transmission and processing. While most of previous works focused on the generation and detection of magnons in YIG, here we demonstrate how to depress the damping rate during the diffusion of magnon. By selectively exciting the spin state transition of the Fe ions in YIG, we successfully increase magnon diffusion length by one order of magnitude, i.e., from the previousmore » reported ~10 μm up to ~156 μm (for the sample prepared by liquid phase epitaxy) and ~180 μm (for the sample prepared by pulsed laser deposition) at room temperature. The diffusion length, determined by nonlocal geometry, is ~30 μm for the magnons induced by visible light and above 150 μm for the laser of 980 nm. In addition to thermal gradient, light excitation affects the electron configuration of the Fe 3+ ion in YIG. Long-wavelength laser is more effective since it causes a transition of the Fe 3+ ions in FeO 6 octahedron from a high spin to a low spin state and thus causes a magnon softening which favors a long-distance diffusion. Furthermore, the present work paves the way toward an efficient tuning of magnon transport which is crucially important for magnon spintronics.« less

Strongly extended diffusion length for the nonequilibrium magnons in Y3F e5O12 by photoexcitation

NASA Astrophysics Data System (ADS)

Wang, S. H.; Li, G.; Guo, E. J.; Zhao, Y.; Wang, J. Y.; Zou, L. K.; Yan, H.; Cai, J. W.; Zhang, Z. T.; Wang, M.; Tian, Y. Y.; Zheng, X. L.; Sun, J. R.; Jin, K. X.

2018-05-01

Y3F e5O12 (YIG) is known for its long magnon diffusion length. Although it has the known lowest damping rate, an even longer diffusion distance is still highly desired since it may lead to a much more efficient information transmission and processing. While most of previous works focused on the generation and detection of magnons in YIG, here we demonstrate how to depress the damping rate during the diffusion of magnon. By selectively exciting the spin state transition of the Fe ions in YIG, we successfully increase magnon diffusion length by one order of magnitude, i.e., from the previous reported ˜10 μm up to ˜156 μm (for the sample prepared by liquid phase epitaxy) and ˜180 μm (for the sample prepared by pulsed laser deposition) at room temperature. The diffusion length, determined by nonlocal geometry, is ˜30 μm for the magnons induced by visible light and above 150 μm for the laser of 980 nm. In addition to thermal gradient, light excitation affects the electron configuration of the F e3 + ion in YIG. Long-wavelength laser is more effective since it causes a transition of the F e3 + ions in Fe O6 octahedron from a high spin to a low spin state and thus causes a magnon softening which favors a long-distance diffusion. The present work paves the way toward an efficient tuning of magnon transport which is crucially important for magnon spintronics.

N- and C-Modified TiO2 Nanotube Arrays: Enhanced Photoelectrochemical Properties and Effect of Nanotubes Length on Photoconversion Efficiency

PubMed Central

Mohamed, Ahmed El Ruby; Barghi, Shahzad

2018-01-01

In this investigation, a new, facile, low cost and environmental-friendly method was introduced to fabricate N- and C-modified TiO2 nanotube arrays by immersing the as-anodized TiO2 nanotube arrays (TNTAs) in a urea aqueous solution with mechanical agitation for a short time and keeping the TNTAs immersed in the solution for 6 h at room temperature. Then, the TNTAs were annealed at different temperatures. The produced N-, C-modified TNTAs were characterized using FESEM, EDX, XRD, XPS, UV-Vis diffuse reflectance spectra. Modified optical properties with narrow band gap energy, Eg, of 2.65 eV was obtained after annealing the modified TNTAs at 550 °C. Modified TNTAs showed enhanced photoelectochemical performance. Photoconversion efficiency (PCE) was increased from 4.35% for pristine (unmodified) TNTAs to 5.18% for modified TNTAs, an increase of 19%. Effect of nanotubes length of modified TNTAs on photoelectrochemical performance was also studied. Photocurrent density and PCE were increased by increasing nanotube length with a maximum PCE of 6.38% for nanotube length of 55 µm. This high PCE value was attributed to: band gap reduction due to C- and N-modification of TNTAs surface, increased surface area of long TNTAs compared with short TNTAs, investigated in previous studies. PMID:29597248

High-power diffusing-tip fibers for interstitial photocoagulation

NASA Astrophysics Data System (ADS)

Sinofsky, Edward L.; Farr, Norman; Baxter, Lincoln; Weiler, William

1997-05-01

A line of optical fiber based diffusing tips has been designed, developed, and tested that are capable of distributing tens of watts of cw laser power over lengths ranging from two millimeters to over 10 cm. The result is a flexible non-stick diffuser capable of coagulating large volumes of tissue in reasonably short exposures of 3 - 5 minutes. Sub-millimeter diameter devices have a distinct effect on reducing the force needed to insert the applicator interstitially into tissue. Utilizing our design approach, we have produced diffusers based on 200 micrometer core fiber that has delivered over 35 watts of Nd:YAG energy over diffusion lengths as short as 4 mm. These applicators are being tested for applications in oncology, cardiology, electrophysiology, urology and gynecology.

Diffusion NMR methods applied to xenon gas for materials study

NASA Technical Reports Server (NTRS)

Mair, R. W.; Rosen, M. S.; Wang, R.; Cory, D. G.; Walsworth, R. L.

2002-01-01

We report initial NMR studies of (i) xenon gas diffusion in model heterogeneous porous media and (ii) continuous flow laser-polarized xenon gas. Both areas utilize the pulsed gradient spin-echo (PGSE) techniques in the gas phase, with the aim of obtaining more sophisticated information than just translational self-diffusion coefficients--a brief overview of this area is provided in the Introduction. The heterogeneous or multiple-length scale model porous media consisted of random packs of mixed glass beads of two different sizes. We focus on observing the approach of the time-dependent gas diffusion coefficient, D(t) (an indicator of mean squared displacement), to the long-time asymptote, with the aim of understanding the long-length scale structural information that may be derived from a heterogeneous porous system. We find that D(t) of imbibed xenon gas at short diffusion times is similar for the mixed bead pack and a pack of the smaller sized beads alone, hence reflecting the pore surface area to volume ratio of the smaller bead sample. The approach of D(t) to the long-time limit follows that of a pack of the larger sized beads alone, although the limiting D(t) for the mixed bead pack is lower, reflecting the lower porosity of the sample compared to that of a pack of mono-sized glass beads. The Pade approximation is used to interpolate D(t) data between the short- and long-time limits. Initial studies of continuous flow laser-polarized xenon gas demonstrate velocity-sensitive imaging of much higher flows than can generally be obtained with liquids (20-200 mm s-1). Gas velocity imaging is, however, found to be limited to a resolution of about 1 mm s-1 owing to the high diffusivity of gases compared with liquids. We also present the first gas-phase NMR scattering, or diffusive-diffraction, data, namely flow-enhanced structural features in the echo attenuation data from laser-polarized xenon flowing through a 2 mm glass bead pack. c2002 John Wiley & Sons, Ltd.

Diffusion and scaling during early embryonic pattern formation.

PubMed

Gregor, Thomas; Bialek, William; de Ruyter van Steveninck, Rob R; Tank, David W; Wieschaus, Eric F

2005-12-20

Development of spatial patterns in multicellular organisms depends on gradients in the concentration of signaling molecules that control gene expression. In the Drosophila embryo, Bicoid (Bcd) morphogen controls cell fate along 70% of the anteroposterior axis but is translated from mRNA localized at the anterior pole. Gradients of Bcd and other morphogens are thought to arise through diffusion, but this basic assumption has never been rigorously tested in living embryos. Furthermore, because diffusion sets a relationship between length and time scales, it is hard to see how patterns of gene expression established by diffusion would scale proportionately as egg size changes during evolution. Here, we show that the motion of inert molecules through the embryo is well described by the diffusion equation on the relevant length and time scales, and that effective diffusion constants are essentially the same in closely related dipteran species with embryos of very different size. Nonetheless, patterns of gene expression in these different species scale with egg length. We show that this scaling can be traced back to scaling of the Bcd gradient itself. Our results, together with constraints imposed by the time scales of development, suggest that the mechanism for scaling is a species-specific adaptation of the Bcd lifetime.

Exciton diffusion in WSe2 monolayers embedded in a van der Waals heterostructure

NASA Astrophysics Data System (ADS)

Cadiz, F.; Robert, C.; Courtade, E.; Manca, M.; Martinelli, L.; Taniguchi, T.; Watanabe, K.; Amand, T.; Rowe, A. C. H.; Paget, D.; Urbaszek, B.; Marie, X.

2018-04-01

We have combined spatially resolved steady-state micro-photoluminescence with time-resolved photoluminescence to investigate the exciton diffusion in a WSe2 monolayer encapsulated with hexagonal boron nitride. At 300 K, we extract an exciton diffusion length of LX = 0.36 ± 0.02 μm and an exciton diffusion coefficient of DX = 14.5 ± 2 cm2/s. This represents a nearly 10-fold increase in the effective mobility of excitons with respect to several previously reported values on nonencapsulated samples. At cryogenic temperatures, the high optical quality of these samples has allowed us to discriminate the diffusion of the different exciton species: bright and dark neutral excitons, as well as charged excitons. The longer lifetime of dark neutral excitons yields a larger diffusion length of LXD=1.5 ±0.02 μ m.

Exciton diffusion in disordered small molecules for organic photovoltaics: insights from first-principles simulations.

PubMed

Li, Z; Zhang, X; Lu, G

2014-05-07

Exciton diffusion in small molecules 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4-dione [DPP(TBFu)2] is studied using first-principles simulations. We have examined dependence of exciton diffusion on structure disorder, temperature and exciton energy. We find that exciton diffusion length and diffusivity increase with structural order, temperature and the initial exciton energy. Compared to conjugated polymer poly(3-hexylthiophene) (P3HT), DPP(TBFu)2 small molecules exhibit a much higher exciton diffusivity, but a shorter lifetime. The exciton diffusion length in DPP(TBFu)2 is 50% longer than that in P3HT, yielding a higher exciton harvesting efficiency; the physical origin behind these differences is discussed. The time evolutions of exciton energy, electron-hole distance, and exciton localization are explored, and the widely speculated exciton diffusion mechanism is confirmed theoretically. The connection between exciton diffusion and carrier mobilities is also studied. Finally we point out the possibility to estimate exciton diffusivity by measuring carrier mobilities under AC electric fields.

Colloidal Engineering for Infrared-Bandgap Solution-Processed Quantum Dot Solar Cells

NASA Astrophysics Data System (ADS)

Kiani, Amirreza

Ever-increasing global energy demand and a diminishing fossil fuel supply have prompted the development of technologies for sustainable energy production. Solar photovoltaic (PV) devices have huge potential for energy harvesting and production since the sun delivers more energy to the earth in one hour than the global population consumes in one year. The solar cell industry is now dominated by silicon PV devices. The cost of silicon modules has decreased substantially over the past two decades and the number of installed silicon PV devices has increased dramatically. There remains a need for emerging solar technologies that can harvest the untapped portion of the solar spectrum and can be integrated on flexible and curved surfaces. This thesis focuses on colloidal quantum dot (CQD) PV devices. CQDs are nanoparticles fabricated using a low-temperature and cost-effective solution technique. These materials suffer from a high density of surface traps derived from the large surface-to-volume ratio of CQD nanoparticles, combined with limited carrier mobility. These result in a short carrier diffusion length, a main limiting factor in CQD solar cell performance. This thesis seeks to address the poor diffusion length in lead sulfide (PbS) CQD films and pave the way for new applications for CQD PV devices in infrared solar harvesting and waste heat recovery. A two-fold reduction in surface trap density is demonstrated using molecular halide treatment. Iodine molecules introduced prior to the film formation replace the otherwise unpassivated surface sulfur atoms. This results in a 35% increase in the diffusion length and enables charge extraction over thicker active layer leading to the world's most efficient CQD PV devices from June 2015 to July 2016 with the certified power conversion efficiency of 9.9%. This represents a 30% increase over the best-certified PCE (7.5%) prior to this thesis. The colloidal engineering highlighted herein enables infrared (IR) solar harvesting for the first time. Addition of short bromothiol ligands during the synthesis significantly reduces the agglomeration of 1 eV bandgap CQDs and maintains efficient charge extraction into the selective electrodes. The devices can augment the performance of the best silicon cells by 7 power points where 0.8 additive power points are demonstrated experimentally. A tailored solution exchanged process developed for 1 eV bandgap CQDs results in air-stable IR PV devices with improved manufacturability. The process utilizes a tailored combination of lead iodide (PbI2) and ammonium acetate for the solution exchange and hexylamine + MEK as the final solvent to yield solar thick films with the filtered (1100 nm and beyond) performance of 0.4%. This thesis pushes the limit of CQD device applications to waste heat recovery. I demonstrate successful harvesting of low energy photons emitted from a hot object by designing and developing the first solution-processed thermophotovoltaic devices. These devices are comprised of 0.7 eV bandgap CQDs that successfully harvest photons emitted from an 800°C heat source.

Characteristics of the Martian atmosphere surface layer

NASA Technical Reports Server (NTRS)

Clow, G. D.; Haberle, R. M.

1991-01-01

Researchers extend elements of various terrestrial boundary layer models to Mars in order to estimate sensible heat, latent heat, and momentum fluxes within the Martian atmospheric surface layer. To estimate the molecular viscosity and thermal conductivity of a CO2-H2O gas mixture under Martian conditions, parameterizations were developed. Parameterizations for specific heat and and binary diffusivity were also determined. The Prandtl and Schmidt numbers derived from these thermophysical properties were found to range from 0.78 - 1.0 and 0.47 - 0.70, respectively, for Mars. Brutsaert's model for sensible and latent heat transport within the interfacial sublayer for both aerodynamically smooth and rough airflow was experimentally tested under similar conditions, validating its application to Martian conditions. For the surface sublayer, the researchers modified the definition of the Monin-Obukhov length to properly account for the buoyancy forces arising from water vapor gradients in the Martian atmospheric boundary layer. This length scale was then utilized with similarity theory turbulent flux profiles with the same form as those used by Businger et al. and others. It was found that under most Martian conditions, the interfacial and surface sublayers offer roughly comparable resistance to sensible heat and water vapor transport and are thus both important in determining the associated fluxes.

Magnesite Dissolution Rates Across Scales: Role of Spatial Heterogeneity, Equilibrium Lengths, and Reactive Time Scales

NASA Astrophysics Data System (ADS)

Wen, H.; Li, L.

2017-12-01

This work develops a general rate law for magnesite dissolution in heterogeneous media under variable flow and length conditions, expanding the previous work under one particular flow and length conditions (Wen and Li, 2017). We aim to answer: 1) How does spatial heterogeneity influence the time and length scales to reach equilibrium? 2) How do relative timescales of advection, diffusion/dispersion, and reactions influence dissolution rates under variable flow and length conditions? We carried out 640 Monte-Carlo numerical experiments of magnesite dissolution within quartz matrix with heterogeneity characterized by permeability variance and correlation length under a range of length and flow velocity. A rate law Rhete = kAT(1-exp(τeq,m/τa))(1-exp(- Lβ))^α was developed. The former part is rates in equivalent homogeneous media kAT(1-exp(τeq,m/τa)), depending on rate constant k, magnesite surface area AT, and relative timescales of reactions τeq,m and advection τa. The latter term (1-exp(- Lβ))^α is the heterogeneity factor χ that quantifies the deviation of heterogeneous media from its homogeneous counterpart. The term has a scaling factor, called reactive transport number β=τa/(τad,r+τeq,m), for domain length L, and the geostatistical characteristics of heterogeneity α. The β quantifies the relative timescales of advection at the domain scale τa versus the advective-diffusive-dispersive transport time out of reactive zones τad,r and reaction time τeq,m. The χ is close to 1 and is insignificant under long residence time conditions (low flow velocity and / or long length) where the residence time is longer than the time needed for Mg to dissolve and transport out of reactive zones (τad,r+τeq,m) so that equilibrium is reached and homogenization occurs. In contrast, χ deviates from 1 and is significant only when β is small, which occurs at short length or fast flow where timescales of reactive transport in reactive zones are much longer than the global residence time so that reactive transport is the limiting step. These findings demonstrate that dissolution rates in heterogeneous media reach asymptotic values in homogeneous media at "sufficiently" long lengths. Wen, H. and Li, L. (2017) An upscaled rate law for magnesite dissolution in heterogeneous porous media. Geochimica et Cosmochimica Acta 210, 289-305.

The effects of intragrain defects on the local photoresponse of polycrystalline silicon solar cells

NASA Astrophysics Data System (ADS)

Inoue, N.; Wilmsen, C. W.; Jones, K. A.

1981-02-01

Intragrain defects in Wacker cast and Monsanto zone-refined polycrystalline silicon materials were investigated using the electron-beam-induced current (EBIC) technique. The EBIC response maps were compared with etch pit, local diffusion length and local photoresponse measurements. It was determined that the Wacker polycrystalline silicon has a much lower density of defects than does the Monsanto polycrystalline silicon and that most of the defects in the Wacker material are not active recombination sites. A correlation was found between the recombination site density, as determined by EBIC, and the local diffusion length. It is shown that a large density of intragrain recombination sites greatly reduces the minority carrier diffusion length and thus can significantly reduce the photoresponse of solar cells.

Saturation Length of Erodible Sediment Beds Subject to Shear Flow

NASA Astrophysics Data System (ADS)

Casler, D. M.; Kahn, B. P.; Furbish, D. J.; Schmeeckle, M. W.

2016-12-01

We examine the initial growth and wavelength selection of sand ripples based on probabilistic formulations of the flux and the Exner equation. Current formulations of this problem as a linear stability analysis appeal to the idea of a saturation length-the lag between the bed stress and the flux-as a key stabilizing influence leading to selection of a finite wavelength. We present two contrasting formulations. The first is based on the Fokker-Planck approximation of the divergence form of the Exner equation, and thus involves particle diffusion associated with variations in particle activity, in addition to the conventionally assumed advective term. The role of a saturation length associated with the particle activity is similar to previous analyses. However, particle diffusion provides an attenuating influence on the growth of small wavelengths, independent of a saturation length, and is thus a sufficient, if not necessary, condition contributing to selection of a finite wavelength. The second formulation is based on the entrainment form of the Exner equation. As a precise, probabilistic formulation of conservation, this form of the Exner equation does not distinguish between advection and diffusion, and, because it directly accounts for all particle motions via a convolution of the distribution of particle hop distances, it pays no attention to the idea of a saturation length. The formulation and resulting description of initial ripple growth and wavelength selection thus inherently subsume the effects embodied in the ideas of advection, diffusion, and a saturation length as used in other formulations. Moreover, the formulation does not distinguish between bed load and suspended load, and is thus broader in application. The analysis reveals that the length scales defined by the distribution of hop distances are more fundamental than the saturation length in determining the initial growth or decay of bedforms. Formulations involving the saturation length coincide with the special case of an exponential distribution of hop distance, where the saturation length is equal to the mean hop distance.

In Vivo Protein Dynamics on the Nanometer Length Scale and Nanosecond Time Scale

DOE PAGES

Anunciado, Divina B.; Nyugen, Vyncent P.; Hurst, Gregory B.; ...

2017-04-07

Selectively labeled GroEL protein was produced in living deuterated bacterial cells to enhance its neutron scattering signal above that of the intracellular milieu. Quasi-elastic neutron scattering shows that the in-cell diffusion coefficient of GroEL was (4.7 ± 0.3) × 10 –12 m 2/s, a factor of 4 slower than its diffusion coefficient in buffer solution. Furthermore, for internal protein dynamics we see a relaxation time of (65 ± 6) ps, a factor of 2 slower compared to the protein in solution. Comparison to the literature suggests that the effective diffusivity of proteins depends on the length and time scale beingmore » probed. Retardation of in-cell diffusion compared to the buffer becomes more significant with the increasing probe length scale, suggesting that intracellular diffusion of biomolecules is nonuniform over the cellular volume. This approach outlined here enables investigation of protein dynamics within living cells to open up new lines of research using “in-cell neutron scattering” to study the dynamics of complex biomolecular systems.« less

In Vivo Protein Dynamics on the Nanometer Length Scale and Nanosecond Time Scale

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anunciado, Divina B.; Nyugen, Vyncent P.; Hurst, Gregory B.

Selectively labeled GroEL protein was produced in living deuterated bacterial cells to enhance its neutron scattering signal above that of the intracellular milieu. Quasi-elastic neutron scattering shows that the in-cell diffusion coefficient of GroEL was (4.7 ± 0.3) × 10 –12 m 2/s, a factor of 4 slower than its diffusion coefficient in buffer solution. Furthermore, for internal protein dynamics we see a relaxation time of (65 ± 6) ps, a factor of 2 slower compared to the protein in solution. Comparison to the literature suggests that the effective diffusivity of proteins depends on the length and time scale beingmore » probed. Retardation of in-cell diffusion compared to the buffer becomes more significant with the increasing probe length scale, suggesting that intracellular diffusion of biomolecules is nonuniform over the cellular volume. This approach outlined here enables investigation of protein dynamics within living cells to open up new lines of research using “in-cell neutron scattering” to study the dynamics of complex biomolecular systems.« less

Back-bombardment compensation in microwave thermionic electron guns

NASA Astrophysics Data System (ADS)

Kowalczyk, Jeremy M. D.; Madey, John M. J.

2014-12-01

The development of capable, reliable, and cost-effective compact electron beam sources remains a long-standing objective of the efforts to develop the accelerator systems needed for on-site research and industrial applications ranging from electron beam welding to high performance x-ray and gamma ray light sources for element-resolved microanalysis and national security. The need in these applications for simplicity, reliability, and low cost has emphasized solutions compatible with the use of the long established and commercially available pulsed microwave rf sources and L-, S- or X-band linear accelerators. Thermionic microwave electron guns have proven to be one successful approach to the development of the electron sources for these systems providing high macropulse average current beams with picosecond pulse lengths and good emittance out to macropulse lengths of 4-5 microseconds. But longer macropulse lengths are now needed for use in inverse-Compton x-ray sources and other emerging applications. We describe in this paper our approach to extending the usable macropulse current and pulse length of these guns through the use of thermal diffusion to compensate for the increase in cathode surface temperature due to back-bombardment.

Atomisti modeling of the microstructure and transport properties of lead-free solder alloys

NASA Astrophysics Data System (ADS)

Sellers, Michael S.

Damage mechanics models of lead-free solder joints in nanoelectronics continue to improve, and in doing so begin to utilize quantitative values describing processes at the atomic level, governing phenomena like electromigration and thermomigration. In particular, knowledge of the transport properties of specific microstructures helps continuum level models fully describe these larger-scale damage phenomena via multi-scale analysis. For example, diffusivities for different types of grain boundaries (fast diffusion paths for solvent and solute atoms, and vacancies), and a description of the boundary structure as a function of temperature, are critical in modeling solder microstructure evolution and, consequently, joint behavior under extreme temperature and electric current. Moreover, for damage that develops at larger length scales, surface energies and diffusivities play important roles in characterizing void stability and morphology. Unfortunately, experiments that investigate these kind of damage phenomena in the atomistic realm are often inconsistent or unable to directly quantify important parameters. One case is the particular transport and structural properties of grain boundaries in Sn (the main component in lead-free solder alloys) and their behavior in the presence of Ag and Cu impurities. This information is crucial in determining accurate diffusivity values for the common SnAgCu (SAC) type solder. Although an average grain boundary diffusivity has been reported for polycrystalline Sn in several works, the value for grain boundary width is estimated and specific diffusivities for boundaries known to occur in Sn have not been reported, to say nothing of solute effects on Sn diffusivity and grain boundary structure. Similarly, transport properties of Sn surfaces remain relatively uninvestigated as well. These gaps and inconsistencies in atomistic data must be remedied for micro- and macro-scale modeling to improve. As a complement to experimental work and possessing the ability to fill in the gaps, molecular simulation serves to reinforce experimental predictions and provide insight into the atomistic processes that govern studied phenomena. In the present body of work, we employ molecular statics and dynamics simulations in the characterization and computation of betaSn surface energies and surface diffusivities, the determination of diffusivities and structural properties of specific betaSn grain boundaries, and the investigation of Cu and Ag solute effects on betaSn grain boundaries. In our study of betaSn surfaces, energies for low number Miller index surfaces are computed and the (100) plane is found to have the lowest un-relaxed energy. We then find that two simple hopping mechanisms dominate adatom diffusion transitions on this surface. For each, we determine hopping rates of the adatom and compute its tracer diffusivity. Our work on grain boundaries investigates the self-diffusion properties and structure of several betaSn symmetric tilt grain boundaries using molecular dynamics simulations. We find that larger diffusive widths are exhibited by higher excess potential energy grain boundaries. Diffusivities in the directions parallel to the interface plane are also computed and activation energies are found with the Arrhenius relation. These are shown to agree well with experimental data. Finally, we examine the effect that solute atoms of Ag and Cu have on the microstructure of betaSn. Excess energies of the (101) symmetric tilt betaSn grain boundary are computed as a function of solute concentration at the interface, and we show that Ag lowers the energy at a greater rate than Cu. We also quantify segregation enthalpies and critical solute concentrations (where the excess energy of the boundary is reduced to zero). The effect of solute type on shear stress is also examined, and we show that solute has a strong effect on the stabilization of higher energy grain boundaries under shear stress. We then look at the self-diffusivity of Sn in the (101) symmetric tilt betaSn grain boundary and show that adding both Ag or Cu decrease the grain boundary self-diffusivity of Sn as solute amount in the interface increases. Effects of larger concentrations of Cu in particular are also investigated.

Experimental and Numerical Study of Ammonium Perchlorate Counterflow Diffusion Flames

NASA Technical Reports Server (NTRS)

Smooke, M. D.; Yetter, R. A.; Parr, T. P.; Hanson-Parr, D. M.; Tanoff, M. A.

1999-01-01

Many solid rocket propellants are based on a composite mixture of ammonium perchlorate (AP) oxidizer and polymeric binder fuels. In these propellants, complex three-dimensional diffusion flame structures between the AP and binder decomposition products, dependent upon the length scales of the heterogeneous mixture, drive the combustion via heat transfer back to the surface. Changing the AP crystal size changes the burn rate of such propellants. Large AP crystals are governed by the cooler AP self-deflagration flame and burn slowly, while small AP crystals are governed more by the hot diffusion flame with the binder and burn faster. This allows control of composite propellant ballistic properties via particle size variation. Previous measurements on these diffusion flames in the planar two-dimensional sandwich configuration yielded insight into controlling flame structure, but there are several drawbacks that make comparison with modeling difficult. First, the flames are two-dimensional and this makes modeling much more complex computationally than with one-dimensional problems, such as RDX self- and laser-supported deflagration. In addition, little is known about the nature, concentration, and evolution rates of the gaseous chemical species produced by the various binders as they decompose. This makes comparison with models quite difficult. Alternatively, counterflow flames provide an excellent geometric configuration within which AP/binder diffusion flames can be studied both experimentally and computationally.

Integrating carbon nanotube forests into polysilicon MEMS: Growth kinetics, mechanisms, and adhesion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ubnoske, Stephen M.; Radauscher, Erich J.; Meshot, Eric R.

The growth of carbon nanotubes (CNTs) on polycrystalline silicon substrates was studied to improve the design of CNT field emission sources for microelectromechanical systems (MEMS) applications and vacuum microelectronic devices (VMDs). Microwave plasma-enhanced chemical vapor deposition (PECVD) was used for CNT growth, resulting in CNTs that incorporate the catalyst particle at their base. The kinetics of CNT growth on polysilicon were compared to growth on Si (100) using the model of Deal and Grove, finding activation energies of 1.61 and 1.54 eV for the nucleation phase of growth and 1.90 and 3.69 eV for the diffusion-limited phase on Si (100)more » and polysilicon, respectively. Diffusivity values for growth on polysilicon were notably lower than the corresponding values on Si (100) and the growth process became diffusion-limited earlier. Evidence favors a surface diffusion growth mechanism involving diffusion of carbon precursor species along the length of the CNT forest to the catalyst at the base. Explanations for the differences in activation energies and diffusivities were elucidated by SEM analysis of the catalyst nanoparticle arrays and through wide-angle X-ray scattering (WAXS) of CNT forests. As a result, methods are presented to improve adhesion of CNT films during operation as field emitters, resulting in a 2.5× improvement.« less

Integrating carbon nanotube forests into polysilicon MEMS: Growth kinetics, mechanisms, and adhesion

DOE PAGES

Ubnoske, Stephen M.; Radauscher, Erich J.; Meshot, Eric R.; ...

2016-11-19

The growth of carbon nanotubes (CNTs) on polycrystalline silicon substrates was studied to improve the design of CNT field emission sources for microelectromechanical systems (MEMS) applications and vacuum microelectronic devices (VMDs). Microwave plasma-enhanced chemical vapor deposition (PECVD) was used for CNT growth, resulting in CNTs that incorporate the catalyst particle at their base. The kinetics of CNT growth on polysilicon were compared to growth on Si (100) using the model of Deal and Grove, finding activation energies of 1.61 and 1.54 eV for the nucleation phase of growth and 1.90 and 3.69 eV for the diffusion-limited phase on Si (100)more » and polysilicon, respectively. Diffusivity values for growth on polysilicon were notably lower than the corresponding values on Si (100) and the growth process became diffusion-limited earlier. Evidence favors a surface diffusion growth mechanism involving diffusion of carbon precursor species along the length of the CNT forest to the catalyst at the base. Explanations for the differences in activation energies and diffusivities were elucidated by SEM analysis of the catalyst nanoparticle arrays and through wide-angle X-ray scattering (WAXS) of CNT forests. As a result, methods are presented to improve adhesion of CNT films during operation as field emitters, resulting in a 2.5× improvement.« less

Surface Stability and Growth Kinetics of Compound Semiconductors: An Ab Initio-Based Approach

PubMed Central

Kangawa, Yoshihiro; Akiyama, Toru; Ito, Tomonori; Shiraishi, Kenji; Nakayama, Takashi

2013-01-01

We review the surface stability and growth kinetics of III-V and III-nitride semiconductors. The theoretical approach used in these studies is based on ab initio calculations and includes gas-phase free energy. With this method, we can investigate the influence of growth conditions, such as partial pressure and temperature, on the surface stability and growth kinetics. First, we examine the feasibility of this approach by comparing calculated surface phase diagrams of GaAs(001) with experimental results. In addition, the Ga diffusion length on GaAs(001) during molecular beam epitaxy is discussed. Next, this approach is systematically applied to the reconstruction, adsorption and incorporation on various nitride semiconductor surfaces. The calculated results for nitride semiconductor surface reconstructions with polar, nonpolar, and semipolar orientations suggest that adlayer reconstructions generally appear on the polar and the semipolar surfaces. However, the stable ideal surface without adsorption is found on the nonpolar surfaces because the ideal surface satisfies the electron counting rule. Finally, the stability of hydrogen and the incorporation mechanisms of Mg and C during metalorganic vapor phase epitaxy are discussed. PMID:28811438

Influence of short chain organic acids and bases on the wetting properties and surface energy of submicrometer ceramic powders.

PubMed

Neirinck, Bram; Soccol, Dimitri; Fransaer, Jan; Van der Biest, Omer; Vleugels, Jef

2010-08-15

The effect of short chained organic acids and bases on the surface energy and wetting properties of submicrometer alumina powder was assessed. The surface chemistry of treated powders was determined by means of Diffuse Reflectance Infrared Fourier Transform spectroscopy and compared to untreated powder. The wetting of powders was measured using a modified Washburn method, based on the use of precompacted powder samples. The geometric factor needed to calculate the contact angle was derived from measurements of the porous properties of the powder compacts. Contact angle measurements with several probe liquids before and after modification allowed a theoretical estimation of the surface energy based on the surface tension component theory. Trends in the surface energy components were linked to observations in infrared spectra. The results showed that the hydrophobic character of the precompacted powder depends on both the chain length and polar group of the modifying agent. Copyright 2010 Elsevier Inc. All rights reserved.

Molecular dynamics simulation of amino acid ionic liquids near a graphene electrode: effects of alkyl side-chain length.

PubMed

Sadeghi Moghadam, Behnoosh; Razmkhah, Mohammad; Hamed Mosavian, Mohammad Taghi; Moosavi, Fatemeh

2016-12-07

Electric double layer (EDL) supercapacitors, using ionic liquid electrolytes, have been receiving a great deal of attention in response to the growing demand for energy storage systems. In the present study, the nanoscopic structure of amino acid ionic liquids (AAILs) as biodegradable electrolytes near a neutral graphene surface was studied by molecular dynamics (MD) simulation. In order to explore the influence of the anion type and structure, the effect of the alkyl side-chain length of amino acids on the EDL was investigated. The results for the AAILs, composed of 1-ethyl-3-methylimidazolium ([EMIM]) cations near alanine ([ALA]) and isoleucine ([ILE]) anions, were compared to a conventional electrolyte, [EMIM][PF 6 ]. A lower mobility of AAIL compared to [EMIM][PF 6 ], with diffusions as low as 10 -11 m 2 s -1 , was observed. The structural results demonstrated a layered structure near the surface and most of the adsorbed imidazolium cation rings lay flat on the graphene surface. Both MD and quantum computations were performed to shed light on the charge behavior of AAIL electrolytes. As the current results demonstrate, an increase in the anion side-chain length leads to a decrease in both the number of adsorbed ions on the surface and the thickness of the first adsorbed layer. More impressively, it was observed that a low charge concentration in the EDL of AAILs is due to more side-side interactions. This remarkable feature could introduce AAILs as more efficient electrolyte materials than conventional [EMIM][PF 6 ].

Electron scattering in graphene with adsorbed NaCl nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Drabińska, Aneta, E-mail: Aneta.Drabinska@fuw.edu.pl; Kaźmierczak, Piotr; Bożek, Rafał

2015-01-07

In this work, the results of contactless magnetoconductance and Raman spectroscopy measurements performed for a graphene sample after its immersion in NaCl solution were presented. The properties of the immersed sample were compared with those of a non-immersed reference sample. Atomic force microscopy and electron spin resonance experiments confirmed the deposition of NaCl nanoparticles on the graphene surface. A weak localization signal observed using contactless magnetoconductance showed the reduction of the coherence length after NaCl treatment of graphene. Temperature dependence of the coherence length indicated a change from ballistic to diffusive regime in electron transport after NaCl treatment. The mainmore » inelastic scattering process was of the electron-electron type but the major reason for the reduction of the coherence length at low temperatures was additional, temperature independent, inelastic scattering. We associate it with spin flip scattering, caused by NaCl nanoparticles present on the graphene surface. Raman spectroscopy showed an increase in the D and D′ bands intensities for graphene after its immersion in NaCl solution. An analysis of the D, D′, and G bands intensities proved that this additional scattering is related to the decoration of vacancies and grain boundaries with NaCl nanoparticles, as well as generation of new on-site defects as a result of the decoration of the graphene surface with NaCl nanoparticles. The observed energy shifts of 2D and G bands indicated that NaCl deposition on the graphene surface did not change carrier concentration, but reduced compressive biaxial strain in the graphene layer.« less

Integrin-based diffusion barrier separates membrane domains enabling the formation of microbiostatic frustrated phagosomes

PubMed Central

Maxson, Michelle E; Naj, Xenia; O'Meara, Teresa R; Plumb, Jonathan D; Cowen, Leah E

2018-01-01

Candida albicans hyphae can reach enormous lengths, precluding their internalization by phagocytes. Nevertheless, macrophages engulf a portion of the hypha, generating incompletely sealed tubular phagosomes. These frustrated phagosomes are stabilized by a thick cuff of F-actin that polymerizes in response to non-canonical activation of integrins by fungal glycan. Despite their continuity, the surface and invaginating phagosomal membranes retain a strikingly distinct lipid composition. PtdIns(4,5)P2 is present at the plasmalemma but is not detectable in the phagosomal membrane, while PtdIns(3)P and PtdIns(3,4,5)P3 co-exist in the phagosomes yet are absent from the surface membrane. Moreover, endo-lysosomal proteins are present only in the phagosomal membrane. Fluorescence recovery after photobleaching revealed the presence of a diffusion barrier that maintains the identity of the open tubular phagosome separate from the plasmalemma. Formation of this barrier depends on Syk, Pyk2/Fak and formin-dependent actin assembly. Antimicrobial mechanisms can thereby be deployed, limiting the growth of the hyphae. PMID:29553370

Twitching motility of bacteria with type-IV pili: Fractal walks, first passage time, and their consequences on microcolonies

NASA Astrophysics Data System (ADS)

Bisht, Konark; Klumpp, Stefan; Banerjee, Varsha; Marathe, Rahul

2017-11-01

A human pathogen, Neisseria gonorrhoeae (NG), moves on surfaces by attaching and retracting polymeric structures called Type IV pili. The tug-of-war between the pili results in a two-dimensional stochastic motion called twitching motility. In this paper, with the help of real-time NG trajectories, we develop coarse-grained models for their description. The fractal properties of these trajectories are determined and their influence on first passage time and formation of bacterial microcolonies is studied. Our main observations are as follows: (i) NG performs a fast ballistic walk on small time scales and a slow diffusive walk over long time scales with a long crossover region; (ii) there exists a characteristic persistent length lp*, which yields the fastest growth of bacterial aggregates or biofilms. Our simulations reveal that lp*˜L0.6 , where L ×L is the surface on which the bacteria move; (iii) the morphologies have distinct fractal characteristics as a consequence of the ballistic and diffusive motion of the constituting bacteria.

VLS growth of alternating InAsP/InP heterostructure nanowires for multiple-quantum-dot structures.

PubMed

Tateno, Kouta; Zhang, Guoqiang; Gotoh, Hideki; Sogawa, Tetsuomi

2012-06-13

We investigated the Au-assisted growth of alternating InAsP/InP heterostructures in wurtzite InP nanowires on InP(111)B substrates for constructing multiple-quantum-dot structures. Vertical InP nanowires without stacking faults were obtained at a high PH(3)/TMIn mole flow ratio of 300-1000. We found that the growth rate changed largely when approximately 40 min passed. Ten InAsP layers were inserted in the InP nanowire, and it was found that both the InP growth rate and the background As level increased after the As supply. We also grew the same structure using TBAs/TBP and could reduce the As level in the InP segments. A simulation using a finite-difference time-domain method suggests that the nanowire growth was dominated by the diffusion of the reaction species with long residence time on the surface. For TBAs/TBP, when the source gases were changed, the formed surface species showed a short diffusion length so as to reduce the As background after the InAsP growth.

Ion beam synthesis of Au nanoparticles embedded nano-composite glass

NASA Astrophysics Data System (ADS)

Varma, Ranjana S.; Kothari, D. C.; Kumar, Ravi; Kumar, P.; Santra, S. S.; Thomas, R. G.

2013-02-01

Ion beam mixing using low energy (LE) ion beams (100 keV Ar+) has been used to form Au nanoparticles in the near-surface region of fused silica glasses. Effect of swift heavy ion (SHI) irradiation (with 120 MeV Ag9+), on the nanoparticles has been studied. Diffusion length of Au after the beam mixing and the irradiation has been found to be 14nm. SHI irradiation causes the increase in the size of the nanoparticles, reduction in size-distribution and increase in number density.

Simulation of the Impact of Si Shell Thickness on the Performance of Si-Coated Vertically Aligned Carbon Nanofiber as Li-Ion Battery Anode

PubMed Central

Das, Susobhan; Li, Jun; Hui, Rongqing

2015-01-01

Micro- and nano-structured electrodes have the potential to improve the performance of Li-ion batteries by increasing the surface area of the electrode and reducing the diffusion distance required by the charged carriers. We report the numerical simulation of Lithium-ion batteries with the anode made of core-shell heterostructures of silicon-coated carbon nanofibers. We show that the energy capacity can be significantly improved by reducing the thickness of the silicon anode to the dimension comparable or less than the Li-ion diffusion length inside silicon. The results of simulation indicate that the contraction of the silicon electrode thickness during the battery discharge process commonly found in experiments also plays a major role in the increase of the energy capacity. PMID:28347120

Buoyancy forcing and the MOC: insights from experiments, simulations and global models

NASA Astrophysics Data System (ADS)

White, B. L.; Passaggia, P. Y.; Zemskova, V.

2017-12-01

The driving forces behind the Meridional Overturning Circulation (MOC) have been widely debated, with wind-driven upwelling, surface buoyancy fluxes due to heating/cooling/freshwater input, and vertical diffusion due to turbulent mixing all thought to play significant roles. To explore the specific role of buoyancy forcing we present results from experiments and simulations of Horizontal Convection (HC), where a circulation is driven by differential buoyancy forcing applied along a horizontal surface. We interpret these results using energy budgets based on the local Available Potential Energy framework introduced in [Scotti and White, J. Fluid Mech., 2014]. We first describe HC experiments driven by the diffusion of salt in water across membranes localized at the surface, at Schmidt numbers {Sc}≈ 610 and Rayleigh numbers in the range 1012 < Ra=Δ b L3/(ν κ ) < 1017, where ν is the kinematic viscosity of water, κ is the diffusion coefficient of salt, L=[.5,2,5]m is the length of the different tanks and Δ b=g(ρ salt}-ρ {fresh}/ρ_{fresh is the reduced gravity difference. We show that the scaling follows a Nu ˜ Ra1/4 type scaling recently theorized by Shishkina et; al. (2016). We then present numerical results for rotating horizontal convection with a zonally re-entrant channel to represent the Southern Ocean branch of the MOC. While the zonal wind stress profile is important to the spatial pattern of the circulation, perhaps surprisingly, the energy budget shows only a weak dependence on the magnitude of the wind input, suggesting that surface APE generation by buoyancy forcing is dominant in driving the overturning circulation.

Study of fluorescence quenching due to 2, 3, 5, 6-tetrafluoro-7, 7', 8, 8'-tetracyano quinodimethane and its solid state diffusion analysis using photoluminescence spectroscopy.

PubMed

Tyagi, Priyanka; Tuli, Suneet; Srivastava, Ritu

2015-02-07

In this work, we have studied the fluorescence quenching and solid state diffusion of 2, 3, 5, 6-tetrafluoro-7,  7',  8,  8'-tetracyano quinodimethane (F4-TCNQ) using photoluminescence (PL) spectroscopy. Quenching studies were performed with tris (8-hydroxyquinolinato) aluminum (Alq3) in solid state samples. Thickness of F4-TCNQ was varied in order to realize different concentrations and study the effect of concentration. PL intensity has reduced with the increase in F4-TCNQ thicknesses. Stern-Volmer and bimolecular quenching constants were evaluated to be 13.8 M(-1) and 8.7 × 10(8) M(-1) s(-1), respectively. The quenching mechanism was found to be of static type, which was inferred by the independent nature of excited state life time from the F4-TCNQ thickness. Further, solid state diffusion of F4-TCNQ was studied by placing a spacing layer of α-NPD between F4-TCNQ and Alq3, and its thickness was varied to probe the diffusion length. PL intensity was found to increase with the increase in this thickness. Quenching efficiency was evaluated as a function of distance between F4-TCNQ and Alq3. These studies were performed for the samples having 1, 2.5, and 5.5 nm thicknesses of F4-TCNQ to study the thickness dependence of diffusion length. Diffusion lengths were evaluated to be 12.5, 15, and 20 nm for 1, 2.5, and 5.5 nm thicknesses of F4-TCNQ. These diffusion lengths were found to be very close to that of determined by secondary ion mass spectroscopy technique.

Three-stage nucleation and growth of Ge self-assembled quantum dots grown on partially relaxed SiGe buffer layers

NASA Astrophysics Data System (ADS)

Kim, H. J.; Zhao, Z. M.; Xie, Y. H.

2003-11-01

Three-stage nucleation and growth of Ge self-assembled quantum dots (SAQDs) on a relaxed SiGe buffer layer has been studied. Plastic relaxation of the SiGe buffer layer is associated with a network of buried 60° dislocations leading to an undulating strain field. As a result, the surface possesses three different types of sites for the nucleation and growth of Ge SAQDs: over the intersection of two perpendicular buried dislocations, over a single dislocation line, and in the region beyond one diffusion length away from any dislocation. Ge SAQDs are observed to nucleate exclusively over the dislocation intersections first, followed by over single dislocation lines, and finally in the region far away from dislocations. By increasing the Ge coverage at a slow rate, the prenucleation stage at the various sites is observed. It appears that the varying strain field has a significant effect on both the diffusion of Ge adatoms before SAQD nucleation, as well as the shape evolution of the SAQDs after they form. Moreover, two distinctly different self-assembly mechanisms are observed at different sites. There exist denuded zones free of Ge SAQDs adjacent to dislocation lines. The width of the denuded zone can be used to make direct determination of the Ge adatom diffusion lengths. The partially relaxed substrate provides a useful experimental vehicle for the in-depth understanding of the formation mechanism of SAQDs grown epitaxially in the Stranski-Krastanov growth mode.

A Green's function method for simulation of time-dependent solute transport and reaction in realistic microvascular geometries

PubMed Central

Secomb, Timothy W.

2016-01-01

A novel theoretical method is presented for simulating the spatially resolved convective and diffusive transport of reacting solutes between microvascular networks and the surrounding tissues. The method allows for efficient computational solution of problems involving convection and non-linear binding of solutes in blood flowing through microvascular networks with realistic 3D geometries, coupled with transvascular exchange and diffusion and reaction in the surrounding tissue space. The method is based on a Green's function approach, in which the solute concentration distribution in the tissue is expressed as a sum of fields generated by time-varying distributions of discrete sources and sinks. As an example of the application of the method, the washout of an inert diffusible tracer substance from a tissue region perfused by a network of microvessels is simulated, showing its dependence on the solute's transvascular permeability and tissue diffusivity. Exponential decay of the washout concentration is predicted, with rate constants that are about 10–30% lower than the rate constants for a tissue cylinder model with the same vessel length, vessel surface area and blood flow rate per tissue volume. PMID:26443811

Microscopic diffusion and hydrodynamic interactions of hemoglobin in red blood cells.

PubMed

Doster, Wolfgang; Longeville, Stéphane

2007-08-15

The cytoplasm of red blood cells is congested with the oxygen storage protein hemoglobin occupying a quarter of the cell volume. The high protein concentration leads to a reduced mobility; the self-diffusion coefficient of hemoglobin in blood cells is six times lower than in dilute solution. This effect is generally assigned to excluded volume effects in crowded media. However, the collective or gradient diffusion coefficient of hemoglobin is only weakly dependent on concentration, suggesting the compensation of osmotic and friction forces. This would exclude hydrodynamic interactions, which are of dynamic origin and do not contribute to the osmotic pressure. Hydrodynamic coupling between protein molecules is dominant at short time- and length scales before direct interactions are fully established. Employing neutron spin-echo-spectroscopy, we study hemoglobin diffusion on a nanosecond timescale and protein displacements on the scale of a few nanometers. A time- and wave-vector dependent diffusion coefficient is found, suggesting the crossover of self- and collective diffusion. Moreover, a wave-vector dependent friction function is derived, which is a characteristic feature of hydrodynamic interactions. The wave-vector and concentration dependence of the long-time self-diffusion coefficient of hemoglobin agree qualitatively with theoretical results on hydrodynamics in hard spheres suspensions. Quantitative agreement requires us to adjust the volume fraction by including part of the hydration shell: Proteins exhibit a larger surface/volume ratio compared to standard colloids of much larger size. It is concluded that hydrodynamic and not direct interactions dominate long-range molecular transport at high concentration.

Side chain variations radically alter the diffusion of poly(2-alkyl-2-oxazoline) functionalised nanoparticles through a mucosal barrier.

PubMed

Mansfield, Edward D H; de la Rosa, Victor R; Kowalczyk, Radoslaw M; Grillo, Isabelle; Hoogenboom, Richard; Sillence, Katy; Hole, Patrick; Williams, Adrian C; Khutoryanskiy, Vitaliy V

2016-08-16

Functionalised nanomaterials are gaining popularity for use as drug delivery vehicles and, in particular, mucus penetrating nanoparticles may improve drug bioavailability via the oral route. To date, few polymers have been investigated for their muco-penetration, and the effects of systematic structural changes to polymer architectures on the penetration and diffusion of functionalised nanomaterials through mucosal tissue have not been reported. We investigated the influence of poly(2-oxazoline) alkyl side chain length on nanoparticle diffusion; poly(2-methyl-2-oxazoline), poly(2-ethyl-2-oxazoline), and poly(2-n-propyl-2-oxazoline) were grafted onto the surface of thiolated silica nanoparticles and characterised by FT-IR, Raman and NMR spectroscopy, thermogravimetric analysis, and small angle neutron scattering. Diffusion coefficients were determined in water and in a mucin dispersion (using Nanoparticle Tracking Analysis), and penetration through a mucosal barrier was assessed using an ex vivo fluorescence technique. The addition of a single methylene group in the side chain significantly altered the penetration and diffusion of the materials in both mucin dispersions and mucosal tissue. Nanoparticles functionalised with poly(2-methyl-2-oxazoline) were significantly more diffusive than particles with poly(2-ethyl-2-oxazoline) while particles with poly(2-n-propyl-2-oxazoline) showed no significant increase compared to the unfunctionalised particles. These data show that variations in the polymer structure can radically alter their diffusive properties with clear implications for the future design of mucus penetrating systems.

Paleotemperatures derived from the EPICA Dome-C core based on isotopic diffusion in the firn pack.

NASA Astrophysics Data System (ADS)

Gkinis, V.; Johnsen, S. J.; Vinther, B.; Sheldon, S.; Ritz, C.; Masson-Delmotte, V.

2009-04-01

Water isotope ratios as measured from ice core samples have been used as a proxy for past temperatures. Based i.a. on a Rayleigh fractionation process they record the cloud temperature during snow formation. However, changes in the temperature and humidity of the vapor source can also affect the isotopic signal of the polar precipitation, thus inducing isotopic artifacts. Furthermore, for the case of the Antarctic ice cap, temperature inversions frequently occur during snow formation. As a result, the cloud temperature as recorded by the water isotopes can differ significantly from the temperature at the surface. After the deposition of snow and until pore close off, a diffusive process occurs in the pore space of the firn pack, mixing water vapor from different layers and smoothing the isotopic profiles. The smoothing depends only on the resulting diffusion length. This process is temperature dependent and it presents a slightly different rate between the two isotopic species of water, H218O and HD16O. This is because the fractionation factors as defined for these two isotopic species have a different dependence on temperature. In this study we present a temperature reconstruction based on the different diffusion rates of H218O and HD16O water molecules in firn. The advantage of such an approach is that the temperatures estimated represent the actual conditions in the firn stack. As a result, we can surpass the artifacts that can possibly disrupt the use of the classical technique. We will present temperature estimations as extracted from two high resolution (2.5 cm) data sets, from the EPICA Dome C deep core focused on the Holoene Climatic Optimum and the Last Glacial Maximum and compare them with results obtained with the classical slope method as well as constrains imposed by the measured temperature profile. We will also address the problems of spectral power estimation for determining the diffusion lengths.

Diffusion and surface alloying of gradient nanostructured metals

PubMed Central

Lu, Ke

2017-01-01

Gradient nanostructures (GNSs) have been optimized in recent years for desired performance. The diffusion behavior in GNS metals is crucial for understanding the diffusion mechanism and relative characteristics of different interfaces that provide fundamental understanding for advancing the traditional surface alloying processes. In this paper, atomic diffusion, reactive diffusion, and surface alloying processes are reviewed for various metals with a preformed GNS surface layer. We emphasize the promoted atomic diffusion and reactive diffusion in the GNS surface layer that are related to a higher interfacial energy state with respect to those in relaxed coarse-grained samples. Accordingly, different surface alloying processes, such as nitriding and chromizing, have been modified significantly, and some diffusion-related properties have been enhanced. Finally, the perspectives on current research in this field are discussed. PMID:28382244

How does passive lengthening change the architecture of the human medial gastrocnemius muscle?

PubMed

Bolsterlee, Bart; D'Souza, Arkiev; Gandevia, Simon C; Herbert, Robert D

2017-04-01

There are few comprehensive investigations of the changes in muscle architecture that accompany muscle contraction or change in muscle length in vivo. For this study, we measured changes in the three-dimensional architecture of the human medial gastrocnemius at the whole muscle level, the fascicle level and the fiber level using anatomical MRI and diffusion tensor imaging (DTI). Data were obtained from eight subjects under relaxed conditions at three muscle lengths. At the whole muscle level, a 5.1% increase in muscle belly length resulted in a reduction in both muscle width (mean change -2.5%) and depth (-4.8%). At the fascicle level, muscle architecture measurements obtained at 3,000 locations per muscle showed that for every millimeter increase in muscle-tendon length above the slack length, average fascicle length increased by 0.46 mm, pennation angle decreased by 0.27° (0.17° in the superficial part and 0.37° in the deep part), and fascicle curvature decreased by 0.18 m -1 There was no evidence of systematic variation in architecture along the muscle's long axis at any muscle length. At the fiber level, analysis of the diffusion signal showed that passive lengthening of the muscle increased diffusion along fibers and decreased diffusion across fibers. Using these measurements across scales, we show that the complex shape changes that muscle fibers, whole muscles, and aponeuroses of the medial gastrocnemius undergo in vivo cannot be captured by simple geometrical models. This justifies the need for more complex models that link microstructural changes in muscle fibers to macroscopic changes in architecture. NEW & NOTEWORTHY Novel MRI and DTI techniques revealed changes in three-dimensional architecture of the human medial gastrocnemius during passive lengthening. Whole muscle belly width and depth decreased when the muscle lengthened. Fascicle length, pennation, and curvature changed uniformly or near uniformly along the muscle during passive lengthening. Diffusion of water molecules in muscle changes in the same direction as fascicle strains. Copyright © 2017 the American Physiological Society.

Theory and Simulation of Attractive Nanoparticle Transport in Polymer Melts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamamoto, Umi; Carrillo, Jan-Michael Y.; Bocharova, Vera

We theoretically study the diffusion of a single attractive nanoparticle (NP) in unentangled and entangled polymer melts based on combining microscopic “core–shell” and “vehicle” mechanisms in a dynamic bond percolation theory framework. A physical picture is constructed which addresses the role of chain length (N), degree of entanglement, nanoparticle size, and NP–polymer attraction strength. The nanoparticle diffusion constant is predicted to initially decrease with N due to the dominance of the core–shell mechanism, then to cross over to the vehicle diffusion regime with a weaker N dependence, and eventually plateau at large enough N. This behavior corresponds to decoupling ofmore » NP diffusivity from the macroscopic melt viscosity, which is reminiscent of repulsive NPs in entangled melts, but here it occurs for a distinct physical reason. Specifically, it reflects a crossover to a transport mechanism whereby nanoparticles adsorb on polymer chains and diffuse using them as “vehicles” over a characteristic desorption time scale. Repetition of random desorption events then leads to Fickian long time NP diffusion. Complementary simulations for a range of chain lengths and low to moderate NP–polymer attraction strengths are also performed. They allow testing of the proposed diffusion mechanisms and qualitatively support the theoretically predicted dynamic crossover behavior. In conclusion, when the desorption time is smaller than or comparable to the onset of entangled polymer dynamics, the NP diffusivity becomes almost chain length independent.« less

Theory and Simulation of Attractive Nanoparticle Transport in Polymer Melts

DOE PAGES

Yamamoto, Umi; Carrillo, Jan-Michael Y.; Bocharova, Vera; ...

2018-03-06

We theoretically study the diffusion of a single attractive nanoparticle (NP) in unentangled and entangled polymer melts based on combining microscopic “core–shell” and “vehicle” mechanisms in a dynamic bond percolation theory framework. A physical picture is constructed which addresses the role of chain length (N), degree of entanglement, nanoparticle size, and NP–polymer attraction strength. The nanoparticle diffusion constant is predicted to initially decrease with N due to the dominance of the core–shell mechanism, then to cross over to the vehicle diffusion regime with a weaker N dependence, and eventually plateau at large enough N. This behavior corresponds to decoupling ofmore » NP diffusivity from the macroscopic melt viscosity, which is reminiscent of repulsive NPs in entangled melts, but here it occurs for a distinct physical reason. Specifically, it reflects a crossover to a transport mechanism whereby nanoparticles adsorb on polymer chains and diffuse using them as “vehicles” over a characteristic desorption time scale. Repetition of random desorption events then leads to Fickian long time NP diffusion. Complementary simulations for a range of chain lengths and low to moderate NP–polymer attraction strengths are also performed. They allow testing of the proposed diffusion mechanisms and qualitatively support the theoretically predicted dynamic crossover behavior. In conclusion, when the desorption time is smaller than or comparable to the onset of entangled polymer dynamics, the NP diffusivity becomes almost chain length independent.« less

Surface Morphology of Liquid and Solid Thin Films via X-Ray Reflectivity.

NASA Astrophysics Data System (ADS)

Shindler, Joseph Daniel

X-ray reflectivity can be used to measure the spatial variations in the electron density on length scales from Angstroms to microns. It is sensitive to atomic scale roughness, interdiffusion in buried layers, the thickness of multilayer stacks, and in-plane correlations in each of these cases. We have pioneered the use of a high intensity, moderate resolution configuration for x-ray reflectivity which utilizes a bent crystal graphite monochromator. With this technique we can obtain a beam intensity one hundred times greater than is possible using the high resolution rotating anode configuration, while we have shown that the resulting instrumental resolution is appropriate for the vast majority of thin film work. For all of the systems studied, we were able to measure the weak diffuse scattering signal to probe the in-plane length scales of interfacial roughness, a measurement which had previously only been attempted at synchrotron sources. Studied systems include thin films and surfaces with a wide range of structural order and surface morphologies. Interest in liquid films has been of a fundamental nature. Theories on the expected film evolution with changing thickness and temperature are currently being tested with scattering experiments. We have pursued the issues of film/substrate wetting and conformality, focussing on the temperature dependence of these phenomena near the triple point. Despite the heterogeneity of the substrate potential, we see a very sharp wetting transition at or near the triple point, although below the triple point the film is still smooth, consistent with a uniform layer. We also see a loss of conformality as the fluid films thicken; this is consistent with theory and with other recent experiments. The properties of a multilayer solid film depend not only on the magnitude of the roughness of each interface, but also on the conformality between interfaces and the length scales of the roughness--i.e., whether the roughness is on the atomic lengths of interdiffusion, crystalline order lengths of faceting, or even longer lengths due to other processes. In a joint project with Alcoa, we combined the methods of x-ray Bragg diffraction and small angle reflectivity to probe aluminum thin films as precursors to true multilayer films, correlating grain size and orientation with the magnitude and length-scales of surface roughness. We also correlated all film properties with such parameters as the deposition method, substrate roughness, and film thickness.

Heterogeneous surface charge enhanced micromixing for electrokinetic flows.

PubMed

Biddiss, Elaine; Erickson, David; Li, Dongqing

2004-06-01

Enhancing the species mixing in microfluidic applications is key to reducing analysis time and increasing device portability. The mixing in electroosmotic flow is usually diffusion-dominated. Recent numerical studies have indicated that the introduction of electrically charged surface heterogeneities may augment mixing efficiencies by creating localized regions of flow circulation. In this study, we experimentally visualized the effects of surface charge patterning and developed an optimized electrokinetic micromixer applicable to the low Reynolds number regime. Using the optimized micromixer, mixing efficiencies were improved between 22 and 68% for the applied potentials ranging from 70 to 555 V/cm when compared with the negatively charged homogeneous case. For producing a 95% mixture, this equates to a potential decrease in the required mixing channel length of up to 88% for flows with Péclet numbers between 190 and 1500.

Effect of Transducer Orientation on Errors in Ultrasound Image-Based Measurements of Human Medial Gastrocnemius Muscle Fascicle Length and Pennation

PubMed Central

Gandevia, Simon C.; Herbert, Robert D.

2016-01-01

Ultrasound imaging is often used to measure muscle fascicle lengths and pennation angles in human muscles in vivo. Theoretically the most accurate measurements are made when the transducer is oriented so that the image plane aligns with muscle fascicles and, for measurements of pennation, when the image plane also intersects the aponeuroses perpendicularly. However this orientation is difficult to achieve and usually there is some degree of misalignment. Here, we used simulated ultrasound images based on three-dimensional models of the human medial gastrocnemius, derived from magnetic resonance and diffusion tensor images, to describe the relationship between transducer orientation and measurement errors. With the transducer oriented perpendicular to the surface of the leg, the error in measurement of fascicle lengths was about 0.4 mm per degree of misalignment of the ultrasound image with the muscle fascicles. If the transducer is then tipped by 20°, the error increases to 1.1 mm per degree of misalignment. For a given degree of misalignment of muscle fascicles with the image plane, the smallest absolute error in fascicle length measurements occurs when the transducer is held perpendicular to the surface of the leg. Misalignment of the transducer with the fascicles may cause fascicle length measurements to be underestimated or overestimated. Contrary to widely held beliefs, it is shown that pennation angles are always overestimated if the image is not perpendicular to the aponeurosis, even when the image is perfectly aligned with the fascicles. An analytical explanation is provided for this finding. PMID:27294280

Effect of Transducer Orientation on Errors in Ultrasound Image-Based Measurements of Human Medial Gastrocnemius Muscle Fascicle Length and Pennation.

PubMed

Bolsterlee, Bart; Gandevia, Simon C; Herbert, Robert D

2016-01-01

Ultrasound imaging is often used to measure muscle fascicle lengths and pennation angles in human muscles in vivo. Theoretically the most accurate measurements are made when the transducer is oriented so that the image plane aligns with muscle fascicles and, for measurements of pennation, when the image plane also intersects the aponeuroses perpendicularly. However this orientation is difficult to achieve and usually there is some degree of misalignment. Here, we used simulated ultrasound images based on three-dimensional models of the human medial gastrocnemius, derived from magnetic resonance and diffusion tensor images, to describe the relationship between transducer orientation and measurement errors. With the transducer oriented perpendicular to the surface of the leg, the error in measurement of fascicle lengths was about 0.4 mm per degree of misalignment of the ultrasound image with the muscle fascicles. If the transducer is then tipped by 20°, the error increases to 1.1 mm per degree of misalignment. For a given degree of misalignment of muscle fascicles with the image plane, the smallest absolute error in fascicle length measurements occurs when the transducer is held perpendicular to the surface of the leg. Misalignment of the transducer with the fascicles may cause fascicle length measurements to be underestimated or overestimated. Contrary to widely held beliefs, it is shown that pennation angles are always overestimated if the image is not perpendicular to the aponeurosis, even when the image is perfectly aligned with the fascicles. An analytical explanation is provided for this finding.

Fractal analysis of lateral movement in biomembranes.

PubMed

Gmachowski, Lech

2018-04-01

Lateral movement of a molecule in a biomembrane containing small compartments (0.23-μm diameter) and large ones (0.75 μm) is analyzed using a fractal description of its walk. The early time dependence of the mean square displacement varies from linear due to the contribution of ballistic motion. In small compartments, walking molecules do not have sufficient time or space to develop an asymptotic relation and the diffusion coefficient deduced from the experimental records is lower than that measured without restrictions. The model makes it possible to deduce the molecule step parameters, namely the step length and time, from data concerning confined and unrestricted diffusion coefficients. This is also possible using experimental results for sub-diffusive transport. The transition from normal to anomalous diffusion does not affect the molecule step parameters. The experimental literature data on molecular trajectories recorded at a high time resolution appear to confirm the modeled value of the mean free path length of DOPE for Brownian and anomalous diffusion. Although the step length and time give the proper values of diffusion coefficient, the DOPE speed calculated as their quotient is several orders of magnitude lower than the thermal speed. This is interpreted as a result of intermolecular interactions, as confirmed by lateral diffusion of other molecules in different membranes. The molecule step parameters are then utilized to analyze the problem of multiple visits in small compartments. The modeling of the diffusion exponent results in a smooth transition to normal diffusion on entering a large compartment, as observed in experiments.

Generating a Simulated Fluid Flow Over an Aircraft Surface Using Anisotropic Diffusion

NASA Technical Reports Server (NTRS)

Rodriguez, David L. (Inventor); Sturdza, Peter (Inventor)

2013-01-01

A fluid-flow simulation over a computer-generated aircraft surface is generated using a diffusion technique. The surface is comprised of a surface mesh of polygons. A boundary-layer fluid property is obtained for a subset of the polygons of the surface mesh. A pressure-gradient vector is determined for a selected polygon, the selected polygon belonging to the surface mesh but not one of the subset of polygons. A maximum and minimum diffusion rate is determined along directions determined using a pressure gradient vector corresponding to the selected polygon. A diffusion-path vector is defined between a point in the selected polygon and a neighboring point in a neighboring polygon. An updated fluid property is determined for the selected polygon using a variable diffusion rate, the variable diffusion rate based on the minimum diffusion rate, maximum diffusion rate, and angular difference between the diffusion-path vector and the pressure-gradient vector.

Differential Microscopic Mobility of Components within a Deep Eutectic Solvent

DOE PAGES

Wagle, Durgesh V.; Baker, Gary A.; Mamontov, Eugene

2015-07-13

From macroscopic measurements of deep eutectic solvents such as glyceline (1:2 molar ratio of choline chloride to glycerol), the long-range translational diffusion of the larger cation (choline) is known to be slower compared to that of the smaller hydrogen bond donor (glycerol). However, when the diffusion dynamics are analyzed on the subnanometer length scale, we discover that the displacements associated with the localized diffusive motions are actually larger for choline. This counterintuitive diffusive behavior can be understood as follows. The localized diffusive motions confined in the transient cage of neighbor particles, which precede the cage-breaking long-range diffusion jumps, are moremore » spatially constrained for glycerol than for choline because of the stronger hydrogen bonds the former makes with chloride anions. The implications of differential localized mobility of the constituents should be especially important for applications where deep eutectic solvents are confined on the nanometer length scale and their long-range translational diffusion is strongly inhibited (e.g., within microporous media).« less

Measuring a diffusion coefficient by single-particle tracking: statistical analysis of experimental mean squared displacement curves.

PubMed

Ernst, Dominique; Köhler, Jürgen

2013-01-21

We provide experimental results on the accuracy of diffusion coefficients obtained by a mean squared displacement (MSD) analysis of single-particle trajectories. We have recorded very long trajectories comprising more than 1.5 × 10(5) data points and decomposed these long trajectories into shorter segments providing us with ensembles of trajectories of variable lengths. This enabled a statistical analysis of the resulting MSD curves as a function of the lengths of the segments. We find that the relative error of the diffusion coefficient can be minimized by taking an optimum number of points into account for fitting the MSD curves, and that this optimum does not depend on the segment length. Yet, the magnitude of the relative error for the diffusion coefficient does, and achieving an accuracy in the order of 10% requires the recording of trajectories with about 1000 data points. Finally, we compare our results with theoretical predictions and find very good qualitative and quantitative agreement between experiment and theory.

Diffusion and scaling during early embryonic pattern formation

PubMed Central

Gregor, Thomas; Bialek, William; van Steveninck, Rob R. de Ruyter; Tank, David W.; Wieschaus, Eric F.

2005-01-01

Development of spatial patterns in multicellular organisms depends on gradients in the concentration of signaling molecules that control gene expression. In the Drosophila embryo, Bicoid (Bcd) morphogen controls cell fate along 70% of the anteroposterior axis but is translated from mRNA localized at the anterior pole. Gradients of Bcd and other morphogens are thought to arise through diffusion, but this basic assumption has never been rigorously tested in living embryos. Furthermore, because diffusion sets a relationship between length and time scales, it is hard to see how patterns of gene expression established by diffusion would scale proportionately as egg size changes during evolution. Here, we show that the motion of inert molecules through the embryo is well described by the diffusion equation on the relevant length and time scales, and that effective diffusion constants are essentially the same in closely related dipteran species with embryos of very different size. Nonetheless, patterns of gene expression in these different species scale with egg length. We show that this scaling can be traced back to scaling of the Bcd gradient itself. Our results, together with constraints imposed by the time scales of development, suggest that the mechanism for scaling is a species-specific adaptation of the Bcd lifetime. PMID:16352710

Monolithically interconnected silicon-film™ module technology

NASA Astrophysics Data System (ADS)

DelleDonne, E. J.; Ford, D. H.; Hall, R. B.; Ingram, A. E.; Rand, J. A.; Barnett, A. M.

1999-03-01

AstroPower is developing an advanced thin-silicon-based, photovoltaic module product. A low-cost monolithic interconnected device is being integrated into a module that combines the design and process features of advanced light trapped, thin-silicon solar cells. This advanced product incorporates a low-cost substrate, a nominally 50-μm thick grown silicon layer with minority carrier diffusion lengths exceeding the active layer thickness, light trapping due to back-surface reflection, and back-surface passivation. The thin silicon layer enables high solar cell performance and can lead to a module conversion efficiency as high as 19%. These performance design features, combined with low-cost manufacturing using relatively low-cost capital equipment, continuous processing and a low-cost substrate, will lead to high-performance, low-cost photovoltaic panels.

Performance of epitaxial back surface field cells

NASA Technical Reports Server (NTRS)

Brandhorst, H. W., Jr.; Baraona, C. R.; Swartz, C. K.

1973-01-01

Epitaxial back surface field structures were formed by depositing a 10 micron thick 10 Omega-cm epitaxial silicon layer onto substrates with resistivities of 0.01, 0.1, 1.0 and 10 Omega-cm. A correlation between cell open-circuit voltage and substrate resistivity was observed and was compared to theory. The cells were also irradiated with 1 MeV electrons to a fluence of 5 X 10 to the 15th power e/cm2. The decrease of cell open-circuit voltage was in excellent agreement with theoretical predictions and the measured short circuit currents were within 2% of the prediction. Calculations are presented of optimum cell performance as functions of epitaxial layer thickness, radiation fluence and substrate diffusion length.

Formation of tungsten oxide nanowires by ion irradiation and vacuum annealing

NASA Astrophysics Data System (ADS)

Zheng, Xu-Dong; Ren, Feng; Wu, Heng-Yi; Qin, Wen-Jing; Jiang, Chang-Zhong

2018-04-01

Here we reported the fabrication of tungsten oxide (WO3-x ) nanowires by Ar+ ion irradiation of WO3 thin films followed by annealing in vacuum. The nanowire length increases with increasing irradiation fluence and with decreasing ion energy. We propose that the stress-driven diffusion of the irradiation-induced W interstitial atoms is responsible for the formation of the nanowires. Comparing to the pristine film, the fabricated nanowire film shows a 106-fold enhancement in electrical conductivity, resulting from the high-density irradiation-induced vacancies on the oxygen sublattice. The nanostructure exhibits largely enhanced surface-enhanced Raman scattering effect due to the oxygen vacancy. Thus, ion irradiation provides a powerful approach for fabricating and tailoring the surface nanostructures of semiconductors.

Polymer translocation through a nanopore: a showcase of anomalous diffusion.

PubMed

Milchev, A; Dubbeldam, Johan L A; Rostiashvili, Vakhtang G; Vilgis, Thomas A

2009-04-01

We investigate the translocation dynamics of a polymer chain threaded through a membrane nanopore by a chemical potential gradient that acts on the chain segments inside the pore. By means of diverse methods (scaling theory, fractional calculus, and Monte Carlo and molecular dynamics simulations), we demonstrate that the relevant dynamic variable, the transported number of polymer segments, s(t), displays an anomalous diffusive behavior, both with and without an external driving force being present. We show that in the absence of drag force the time tau, needed for a macromolecule of length N to thread from the cis into the trans side of a cell membrane, scales as tauN(2/alpha) with the chain length. The anomalous dynamics of the translocation process is governed by a universal exponent alpha= 2/(2nu + 2 - gamma(1)), which contains the basic universal exponents of polymer physics, nu (the Flory exponent) and gamma(1) (the surface entropic exponent). A closed analytic expression for the probability to find s translocated segments at time t in terms of chain length N and applied drag force f is derived from the fractional Fokker-Planck equation, and shown to provide analytic results for the time variation of the statistical moments and . It turns out that the average translocation time scales as tau proportional, f(-1)N(2/alpha-1). These results are tested and found to be in perfect agreement with extensive Monte Carlo and molecular dynamics computer simulations.

Causes and implications of suppressed vesiculation and crystallization in phenocryst embayments

NASA Astrophysics Data System (ADS)

Cashman, K. V.; Rust, A.

2016-12-01

Recent studies of crystal-hosted melt embayments have modeled water diffusion to estimate rates of magma ascent. Uncertainties in these calculations have been linked primarily to the assumed initial pressure. None of these studies, however, have addressed the conditions under which crystal-hosted clear glass channels form in samples dominated by crystal- and bubble-rich groundmass. Embayments are common in phenocrysts from the 1974 basaltic eruption of Fuego volcano. They are hosted by both plagioclase and olivine phenocrysts where rapid and spatially heterogeneous growth creates a local melt channel. Embayment shapes differ in the two phases, however, depending on the characteristic rapid growth morphologies. Embayment channels are typically 20-50 µm wide and may reach 100-200 µm in length. Interestingly, these length scales are similar to those of melt embayments in plagioclase within the dacitic Mount St. Helens. We suggest that these characteristic length scales are key to embayment preservation as clear glass. We explore two hypotheses: (1) that the space constraints of the embayment inhibit bubble nucleation and growth, or (2) that rapid decompression-driven crystal growth on all sides of the melt channel temporarily increases the melt temperature and water content (and therefore element diffusivity) above ambient. Support for the second hypothesis - that diffusion out of the melt channels is energetically more favorable than nucleation of new bubble and crystal phases - is suggested by observed diffusion profiles of melt components within the embayments. Understanding the origin of melt channels has important implications for diffusion-based studies of magma decompression. First, if the embayments are formed by rapid, syn-eruptive crystal growth, then the effective diffusion length scale must increase with time. Second, if local and temporary heating increase elemental diffusion rates, then characteristic diffusion time scales will be overestimated. By extension, we also note that similar conditions may characterize rapid growth of skeletal and hopper crystals.

Generating a Simulated Fluid Flow over a Surface Using Anisotropic Diffusion

NASA Technical Reports Server (NTRS)

Rodriguez, David L. (Inventor); Sturdza, Peter (Inventor)

2016-01-01

A fluid-flow simulation over a computer-generated surface is generated using a diffusion technique. The surface is comprised of a surface mesh of polygons. A boundary-layer fluid property is obtained for a subset of the polygons of the surface mesh. A gradient vector is determined for a selected polygon, the selected polygon belonging to the surface mesh but not one of the subset of polygons. A maximum and minimum diffusion rate is determined along directions determined using the gradient vector corresponding to the selected polygon. A diffusion-path vector is defined between a point in the selected polygon and a neighboring point in a neighboring polygon. An updated fluid property is determined for the selected polygon using a variable diffusion rate, the variable diffusion rate based on the minimum diffusion rate, maximum diffusion rate, and the gradient vector.

Correlating steric hydration forces with water dynamics through surface force and diffusion NMR measurements in a lipid–DMSO–H2O system

PubMed Central

Schrader, Alex M.; Donaldson, Stephen H.; Song, Jinsuk; Cheng, Chi-Yuan; Lee, Dong Woog; Han, Songi; Israelachvili, Jacob N.

2015-01-01

Dimethyl sulfoxide (DMSO) is a common solvent and biological additive possessing well-known utility in cellular cryoprotection and lipid membrane permeabilization, but the governing mechanisms at membrane interfaces remain poorly understood. Many studies have focused on DMSO–lipid interactions and the subsequent effects on membrane-phase behavior, but explanations often rely on qualitative notions of DMSO-induced dehydration of lipid head groups. In this work, surface forces measurements between gel-phase dipalmitoylphosphatidylcholine membranes in DMSO–water mixtures quantify the hydration- and solvation-length scales with angstrom resolution as a function of DMSO concentration from 0 mol% to 20 mol%. DMSO causes a drastic decrease in the range of the steric hydration repulsion, leading to an increase in adhesion at a much-reduced intermembrane distance. Pulsed field gradient NMR of the phosphatidylcholine (PC) head group analogs, dimethyl phosphate and tetramethylammonium ions, shows that the ion hydrodynamic radius decreases with increasing DMSO concentration up to 10 mol% DMSO. The complementary measurements indicate that, at concentrations below 10 mol%, the primary effect of DMSO is to decrease the solvated volume of the PC head group and that, from 10 mol% to 20 mol%, DMSO acts to gradually collapse head groups down onto the surface and suppress their thermal motion. This work shows a connection between surface forces, head group conformation and dynamics, and surface water diffusion, with important implications for soft matter and colloidal systems. PMID:26261313

Numerical Simulation of Multiphase Flow in Nanoporous Organic Matter With Application to Coal and Gas Shale Systems

NASA Astrophysics Data System (ADS)

Song, Wenhui; Yao, Jun; Ma, Jingsheng; Sun, Hai; Li, Yang; Yang, Yongfei; Zhang, Lei

2018-02-01

Fluid flow in nanoscale organic pores is known to be affected by fluid transport mechanisms and properties within confined pore space. The flow of gas and water shows notably different characteristics compared with conventional continuum modeling approach. A pore network flow model is developed and implemented in this work. A 3-D organic pore network model is constructed from 3-D image that is reconstructed from 2-D shale SEM image of organic-rich sample. The 3-D pore network model is assumed to be gas-wet and to contain initially gas-filled pores only, and the flow model is concerned with drainage process. Gas flow considers a full range of gas transport mechanisms, including viscous flow, Knudsen diffusion, surface diffusion, ad/desorption, and gas PVT and viscosity using a modified van der Waals' EoS and a correlation for natural gas, respectively. The influences of slip length, contact angle, and gas adsorption layer on water flow are considered. Surface tension considers the pore size and temperature effects. Invasion percolation is applied to calculate gas-water relative permeability. The results indicate that the influences of pore pressure and temperature on water phase relative permeabilities are negligible while gas phase relative permeabilities are relatively larger in higher temperatures and lower pore pressures. Gas phase relative permeability increases while water phase relative permeability decreases with the shrinkage of pore size. This can be attributed to the fact that gas adsorption layer decreases the effective flow area of the water phase and surface diffusion capacity for adsorbed gas is enhanced in small pore size.

Nano- and Macro-wear of Bio-carbo-nitrided AISI 8620 Steel Surfaces

NASA Astrophysics Data System (ADS)

Arthur, Emmanuel Kwesi; Ampaw, Edward; Zebaze Kana, M. G.; Adetunji, A. R.; Olusunle, S. O. O.; Adewoye, O. O.; Soboyejo, W. O.

2015-12-01

This paper presents the results of an experimental study of nano- and macro-scale wear in a carbo-nitrided AISI 8620 steel. Carbo-nitriding is carried out using a novel method that involves the use of dried, cyanide-containing cassava leaves, as sources of carbon and nitrogen. These are used in a pack cementation that is used to diffuse carbon and nitrogen into case layers at intermediate temperatures [673.15 K, 723.15 K, 773.15 K, and 823.15 K (400 °C, 450 °C, 500 °C, and 550 °C)]. Nano- and macro-scale wear properties are studied in the case-hardened surfaces, using a combination of nano-scratch and pin-on-disk experiments. The measured wear volumes (at both nano- and macro-length scales) are shown to increase with decreasing pack cyaniding temperature. The nano- and macro-wear resistances are also shown to be enhanced by the in situ diffusion of carbon and nitrogen from cyanide-containing bio-processed waste. The underlying wear mechanisms are also elucidated via atomic force microscopy and scanning electron microscopy observations of the wear tracks. The implications of the results are discussed for the design of hardened carbo-nitrided steel surfaces with improved wear resistance.

Relative contributions of scattering, diffraction and modal diffusion to focal ratio degradation in optical fibres

NASA Astrophysics Data System (ADS)

Haynes, D. M.; Withford, M. J.; Dawes, J. M.; Lawrence, J. S.; Haynes, R.

2011-06-01

Focal ratio degradation (FRD) is a major contributor to light loss in astronomical instruments employing multimode optical fibres. We present a powerful diagnostic model that uniquely quantifies the various sources of FRD in multimode fibres. There are three main phenomena that can contribute to FRD: scattering, diffraction and modal diffusion. We propose a Voigt FRD model where the diffraction and modal diffusion are modelled by the Gaussian component and the end-face scattering is modelled by the Lorentzian component. The Voigt FRD model can be deconvolved into its Gaussian and Lorentzian components and used to analyse the contribution of each of the three major components. We used the Voigt FRD model to analyse the FRD of modern astronomical grade fibre for variations in (i) end-face surface roughness, (ii) wavelength, (iii) fibre length and (iv) external fibre stress. The elevated FRD we observed was mostly due to external factors, i.e. fibre end effects such as surface roughness, subsurface damage and environmentally induced microbending caused by the epoxy, ferrules and fibre cable design. The Voigt FRD model has numerous applications such as a diagnostic tool for current fibre instrumentation that show elevated FRD, as a quality control method for fibre manufacture and fibre cable assembly and as a research and development tool for the characterization of new fibre technologies.

The Neck Region of the C-type Lectin DC-SIGN Regulates Its Surface Spatiotemporal Organization and Virus-binding Capacity on Antigen-presenting Cells*

PubMed Central

Manzo, Carlo; Torreno-Pina, Juan A.; Joosten, Ben; Reinieren-Beeren, Inge; Gualda, Emilio J.; Loza-Alvarez, Pablo; Figdor, Carl G.; Garcia-Parajo, Maria F.; Cambi, Alessandra

2012-01-01

The C-type lectin DC-SIGN expressed on dendritic cells (DCs) facilitates capture and internalization of a plethora of different pathogens. Although it is known that DC-SIGN organizes in nanoclusters at the surface of DCs, the molecular mechanisms responsible for this well defined nanopatterning and role in viral binding remain enigmatic. By combining biochemical and advanced biophysical techniques, including optical superresolution and single particle tracking, we demonstrate that DC-SIGN intrinsic nanoclustering strictly depends on its molecular structure. DC-SIGN nanoclusters exhibited free, Brownian diffusion on the cell membrane. Truncation of the extracellular neck region, known to abrogate tetramerization, significantly reduced nanoclustering and concomitantly increased lateral diffusion. Importantly, DC-SIGN nanocluster dissolution exclusively compromised binding to nanoscale size pathogens. Monte Carlo simulations revealed that heterogeneity on nanocluster density and spatial distribution confers broader binding capabilities to DC-SIGN. As such, our results underscore a direct relationship between spatial nanopatterning, driven by intermolecular interactions between the neck regions, and receptor diffusion to provide DC-SIGN with the exquisite ability to dock pathogens at the virus length scale. Insight into how virus receptors are organized prior to virus binding and how they assemble into functional platforms for virus docking is helpful to develop novel strategies to prevent virus entry and infection. PMID:23019323

Direct Measurement of Lateral Correlations under Controlled Nanoconfinement

NASA Astrophysics Data System (ADS)

Kékicheff, P.; Iss, J.; Fontaine, P.; Johner, A.

2018-03-01

Lateral correlations along hydrophobic surfaces whose separation can be varied continuously are measured by x-ray scattering using a modified surface force apparatus coupled with synchrotron radiation, named SFAX. A weak isotropic diffuse scattering along the equatorial plane is revealed for mica surfaces rendered hydrophobic and charge neutral by immersion in cationic surfactant solutions at low concentrations. The peak corresponds to a lateral surface correlation length ξ ≈12 nm , without long-range order. These findings are compatible with the atomic force microscopy imaging of a single surface, where adsorbed surfactant stripes appear surrounded by bare mica zones. Remarkably, the scattering patterns remain stable for gap widths D larger than the lateral period but change in intensity and shape (to a lesser extent) as soon as D <ξ . This evolution codes for a redistribution of counterions (counterion release from antagonistic patches) and the associated new x-ray labeling of the patterns. The redistribution of counterions is also the key mechanism to the long-range electrostatic attraction between similar, overall charge-neutral walls, reported earlier.

Fast oxygen diffusion in bismuth oxide probed by quasielastic neutron scattering

DOE PAGES

Mamontov, Eugene

2016-09-24

In this paper, we present the first, to our knowledge, study of solid state oxygen translational diffusion by quasielastic neutron scattering. Such studies in the past might have been precluded by relatively low diffusivities of oxygen anions in the temperature range amenable to neutron scattering experiments. To explore the potential of the quasielastic scattering technique, which can deduce atomic diffusion jump length of oxygen anions through the momentum transfer dependence of the scattering signal, we have selected the fastest known oxygen conductor, bismuth oxide. Finally, we have found the oxygen anion jump length in excellent agreement with the nearest oxygen-vacancymore » distance in the anion sublattice of the fluorite-related structure of bismuth oxide.« less

Extracting surface diffusion coefficients from batch adsorption measurement data: application of the classic Langmuir kinetics model.

PubMed

Chu, Khim Hoong

2017-11-09

Surface diffusion coefficients may be estimated by fitting solutions of a diffusion model to batch kinetic data. For non-linear systems, a numerical solution of the diffusion model's governing equations is generally required. We report here the application of the classic Langmuir kinetics model to extract surface diffusion coefficients from batch kinetic data. The use of the Langmuir kinetics model in lieu of the conventional surface diffusion model allows derivation of an analytical expression. The parameter estimation procedure requires determining the Langmuir rate coefficient from which the pertinent surface diffusion coefficient is calculated. Surface diffusion coefficients within the 10 -9 to 10 -6  cm 2 /s range obtained by fitting the Langmuir kinetics model to experimental kinetic data taken from the literature are found to be consistent with the corresponding values obtained from the traditional surface diffusion model. The virtue of this simplified parameter estimation method is that it reduces the computational complexity as the analytical expression involves only an algebraic equation in closed form which is easily evaluated by spreadsheet computation.

Tuning Adsorption Duration To Control the Diffusion of a Nanoparticle in Adsorbing Polymers.

PubMed

Cao, Xue-Zheng; Merlitz, Holger; Wu, Chen-Xu

2017-06-15

Controlling the nanoparticle (NP) diffusion in polymers is a prerequisite to obtain polymer nanocomposites (PNCs) with desired dynamical and rheological properties and to achieve targeted delivery of nanomedicine in biological systems. Here we determine the suppression mechanism of direct NP-polymer attraction to hamper the NP mobility in adsorbing polymers and then quantify the dependence of the effective viscosity η eff felt by the NP on the adsorption duration τ ads of polymers on the NP using scaling theory analysis and molecular dynamics simulations. We propose and confirm that participation of adsorbed chains in the NP motion break up at time intervals beyond τ ads due to the rearrangement of polymer segments at the NP surface, which accounts for the onset of Fickian NP diffusion on a time scale of t ≈ τ ads . We develop a power law, η eff ∼ (τ ads ) ν , where ν is the scaling exponent of the dependence of polymer coil size on the chain length, which leads to a theoretical basis for the design of PNCs and nanomedicine with desired applications through tuning the polymer adsorption duration.

Substrate-mediated diffusion-induced growth of single-crystal nanowires.

PubMed

Mohammad, S Noor

2009-11-28

Theoretical investigations of the growth and growth rates of single-crystal nanowires (NWs) by vapor phase mechanisms have been carried out. Substrate-induced processes are assumed to dominate this growth. The modeling for growth takes adsorption, desorption, surface scattering, and diffusion into account. It takes into consideration also the retarding electric field arising from the scattering of the NW vapor species by both the substrate and the NW sidewalls. Growth characteristics under the influence of the retarding electric field have been studied. Competitive roles of adatom diffusivity and the electric field in the NW growth are elucidated. Influence of the growing NW length and the adatom impingement rate on the NW growth rate has been described. The effect of adatom collection area around each NW has been examined. The NW tapering and kinking have been explained. The fundamentals of the substrate induction and details of the growth parameters have been analyzed. The influence of foreign element catalytic agents in the vapor-liquid-solid mechanism has been presented. All these have led to the understanding and resolution of problems, controversies, and contradictions involving substrate-induced NW growths.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Xiao; Martínez-González, José A.; Hernández-Ortiz, Juan P.

Liquid crystal blue phases (BPs) are highly ordered at two levels. Molecules exhibit orientational order at nanometer length scales, while chirality leads to ordered arrays of doubletwisted cylinders over micrometer scales. Past studies of polycrystalline BPs were challenged by grain boundaries between randomly oriented crystalline nanodomains. Here, the nucleation of BPs is controlled with considerable precision by relying on chemically nano-patterned surfaces, leading to macroscopic single-crystal BP specimens where the dynamics of meso-crystal formation can be directly observed. Theory and experiments show that transitions between two BPs having a different network structure proceed through local re-organization of the crystalline array,more » without diffusion of the double twisted cylinders. In solid crystals, martensitic transformations between crystal structures involve the concerted motion of a few atoms, without diffusion. The transformation between BPs, where crystal features arise in the sub-micron regime, is found to be martensitic in nature, with the diffusion-less feature associated to the collective behavior of the double twist cylinders. Single-crystal BPs are shown to offer fertile grounds for the study of directed crystal-nucleation and the controlled growth of soft matter.« less

Controlled surface diffusion in plasma-enhanced chemical vapor deposition of GaN nanowires.

PubMed

Hou, Wen Chi; Hong, Franklin Chau-Nan

2009-02-04

This study investigates the growth of GaN nanowires by controlling the surface diffusion of Ga species on sapphire in a plasma-enhanced chemical vapor deposition (CVD) system. Under nitrogen-rich growth conditions, Ga has a tendency to adsorb on the substrate surface diffusing to nanowires to contribute to their growth. The significance of surface diffusion on the growth of nanowires is dependent on the environment of the nanowire on the substrate surface as well as the gas phase species and compositions. Under nitrogen-rich growth conditions, the growth rate is strongly dependent on the surface diffusion of gallium, but the addition of 5% hydrogen in nitrogen plasma instantly diminishes the surface diffusion effect. Gallium desorbs easily from the surface by reaction with hydrogen. On the other hand, under gallium-rich growth conditions, nanowire growth is shown to be dominated by the gas phase deposition, with negligible contribution from surface diffusion. This is the first study reporting the inhibition of surface diffusion effects by hydrogen addition, which can be useful in tailoring the growth and characteristics of nanowires. Without any evidence of direct deposition on the nanowire surface, gallium and nitrogen are shown to dissolve into the catalyst for growing the nanowires at 900 degrees C.

Dissolution kinetics of a lunar glass simulant at 25 degrees C: the effect of pH and organic acids

NASA Technical Reports Server (NTRS)

Eick, M. J.; Grossl, P. R.; Golden, D. C.; Sparks, D. L.; Ming, D. W.

1996-01-01

The dissolution kinetics of a simulated lunar glass were examined at pH 3, 5, and 7. Additionally, the pH 7 experiments were conducted in the presence of citric and oxalic acid at concentrations of 2 and 20 mM. The organic acids were buffered at pH 7 to examine the effect of each molecule in their dissociated form. At pH 3, 5, and 7, the dissolution of the synthetic lunar glass was observed to proceed via a two-stage process. The first stage involved the parabolic release of Ca, Mg, Al, and Fe, and the linear release of Si. Dissolution was incongruent, creating a leached layer rich in Si and Ti which was verified by transmission electron microscopy (TEM). During the second stage the release of Ca, Mg, Al, and Fe was linear. A coupled diffusion/surface dissolution model was proposed for dissolution of the simulated lunar glass at pH 3, 5, and 7. During the first stage the initial release of mobile cations (i.e., Ca, Mg, Al, Fe) was limited by diffusion through the surface leached layer of the glass (parabolic release), while Si release was controlled by the hydrolysis of the Si-O-Al bonds at the glass surface (linear release). As dissolution continued, the mobile cations diffused from greater depths within the glass surface. A steady-state was then reached where the diffusion rate across the increased path lengths equalled the Si release rate from the surface. In the presence of the organic acids, the dissolution of the synthetic lunar glass proceeded by a one stage process. The release of Ca, Mg, Al, and Fe followed a parabolic relationship, while the release of Si was linear. The relative reactivity of the organic acids used in the experiments was citrate > oxalate. A thinner leached layer rich in Si/Ti, as compared to the pH experiments, was observed using TEM. Rate data suggest that the chemisorption of the organic anion to the surface silanol groups was responsible for enhanced dissolution in the presence of the organic acids. It is proposed that the increased rate of Si release is responsible for the one stage parabolic release of mobile cations and the relatively thin leached layer compared to experiments at pH 3 and 5.

Anomalous transport and stochastic processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balescu, R.

1996-03-01

The relation between kinetic transport theory and theory of stochastic processes is reviewed. The Langevin equation formalism provides important, but rather limited information about diffusive processes. A quite promising new approach to modeling complex situations, such as transport in incompletely destroyed magnetic surfaces, is provided by the theory of Continuous Time Random Walks (CTRW), which is presented in some detail. An academic test problem is discussed in great detail: transport of particles in a fluctuating magnetic field, in the limit of infinite perpendicular correlation length. The well-known subdiffusive behavior of the Mean Square Displacement (MSD), proportional to t{sup 1/2}, ismore » recovered by a CTRW, but the complete density profile is not. However, the quasilinear approximation of the kinetic equation has the form of a non-Markovian diffusion equation and can thus be generated by a CTRW. 16 refs., 3 figs.« less

A self-organizing Lagrangian particle method for adaptive-resolution advection-diffusion simulations

NASA Astrophysics Data System (ADS)

Reboux, Sylvain; Schrader, Birte; Sbalzarini, Ivo F.

2012-05-01

We present a novel adaptive-resolution particle method for continuous parabolic problems. In this method, particles self-organize in order to adapt to local resolution requirements. This is achieved by pseudo forces that are designed so as to guarantee that the solution is always well sampled and that no holes or clusters develop in the particle distribution. The particle sizes are locally adapted to the length scale of the solution. Differential operators are consistently evaluated on the evolving set of irregularly distributed particles of varying sizes using discretization-corrected operators. The method does not rely on any global transforms or mapping functions. After presenting the method and its error analysis, we demonstrate its capabilities and limitations on a set of two- and three-dimensional benchmark problems. These include advection-diffusion, the Burgers equation, the Buckley-Leverett five-spot problem, and curvature-driven level-set surface refinement.

Mapping the nanoscale energetic landscape in conductive polymer films with spatially super-resolved exciton dynamics

NASA Astrophysics Data System (ADS)

Ginsberg, Naomi

2015-03-01

The migration of Frenkel excitons, tightly-bound electron-hole pairs, in polymeric organic semiconducting films is critical to the efficiency of bulk heterojunction solar cells. While these materials exhibit a high degree of structural heterogeneity on the nanoscale, traditional measurements of exciton diffusion lengths are performed on bulk samples. Since both the characteristic length scales of structural heterogeneity and the reported bulk diffusion lengths are smaller than the optical diffraction limit, we adapt far-field super-resolution fluorescence imaging to uncover the correlations between the structural and energetic landscapes that the excitons explore.

Solvent annealing of perovskite-induced crystal growth for photovoltaic-device efficiency enhancement

DOE PAGES

Xiao, Zhengguo; Dong, Qingfeng; Bi, Cheng; ...

2014-08-26

Solvent-annealing is found to be an effective method to increase the grain size and carrier diffusion lengths of trihalide perovskite materials. Thus, the carrier diffusion length of MAPbI 3 is increased to over 1 μm. The efficiency remains above 14.5% when the MAPbI 3 thickness changes from 250 nm to 1 μm, with the highest efficiency reaching 15.6%.

Radiation defect dynamics in Si at room temperature studied by pulsed ion beams

NASA Astrophysics Data System (ADS)

Wallace, J. B.; Charnvanichborikarn, S.; Bayu Aji, L. B.; Myers, M. T.; Shao, L.; Kucheyev, S. O.

2015-10-01

The evolution of radiation defects after the thermalization of collision cascades often plays the dominant role in the formation of stable radiation disorder in crystalline solids of interest to electronics and nuclear materials applications. Here, we explore a pulsed-ion-beam method to study defect interaction dynamics in Si crystals bombarded at room temperature with 500 keV Ne, Ar, Kr, and Xe ions. The effective time constant of defect interaction is measured directly by studying the dependence of lattice disorder, monitored by ion channeling, on the passive part of the beam duty cycle. The effective defect diffusion length is revealed by the dependence of damage on the active part of the beam duty cycle. Results show that the defect relaxation behavior obeys a second order kinetic process for all the cases studied, with a time constant in the range of ˜4-13 ms and a diffusion length of ˜15-50 nm. Both radiation dynamics parameters (the time constant and diffusion length) are essentially independent of the maximum instantaneous dose rate, total ion dose, and dopant concentration within the ranges studied. However, both the time constant and diffusion length increase with increasing ion mass. This demonstrates that the density of collision cascades influences not only defect production and annealing efficiencies but also the defect interaction dynamics.

Proton transfer and the diffusion of H+ and OH- ions along water wires.

PubMed

Lee, Song Hi; Rasaiah, Jayendran C

2013-09-28

Hydrogen and hydroxide ion transport in narrow carbon nanotubes (CNTs) of diameter 8.1 Å and lengths up to 582 Å are investigated by molecular dynamics simulations using a dissociating water model. The diffusion coefficients of the free ions in an open chain are significantly larger than in periodically replicated wires that necessarily contain D or L end defects, and both are higher than they are in bulk water. The free hydroxide ion diffuses faster than the free hydronium ion in short CNTs, unlike diffusion in liquid water, and both coefficients increase and converge to nearly the same value with increasing tube length. The diffusion coefficients of the two ions increase further when the tubes are immersed in a water reservoir and they move easily out of the tube, suggesting an additional pathway for proton transport via OH(-) ions in biological channels.

Fabrication and analysis of cylindrical diffusing optical fiber probe for photodynamic therapy in cancer treatment

NASA Astrophysics Data System (ADS)

Park, Gaye; Lee, HyeYeon; Cho, HyungSu; Kim, DaeYoung; Han, JaeWan; Ouh, ChiHwan; Jung, ChangHyun

2018-02-01

The treatment using photodynamic therapy (PDT) among cancer treatment methods shows remedial value in various cancers. The optical fiber probe infiltrates into affected parts of the tissues that are difficult to access, such as pancreatic cancer, carcinoma of extrahepatic bile duct, prostate cancer, and bladder cancer by using endoscopic retrograde cholangiopancreatography (ERCP) and endoscopic ultrasonography (EUS) with various types of diffusing tips. In this study, we developed cylindrical diffusing optical fiber probe (CDOFP) for PDT, manufactured ball-shaped end which is easily infiltrated into tissues with diffusing length ranging from 10mm to 40mm through precision laser processing, and conducted beam profile characterization of manufactured CDOFP. Also, chemical reaction between photo-sensitizer and laser in PDT is important, and hence the thermal effect in tissues as per diffusing length of probe was also studied as it was used in a recent study.

Controlling Morphological Parameters of Anodized Titania Nanotubes for Optimized Solar Energy Applications

PubMed Central

Haring, Andrew; Morris, Amanda; Hu, Michael

2012-01-01

Anodized TiO2 nanotubes have received much attention for their use in solar energy applications including water oxidation cells and hybrid solar cells [dye-sensitized solar cells (DSSCs) and bulk heterojuntion solar cells (BHJs)]. High surface area allows for increased dye-adsorption and photon absorption. Titania nanotubes grown by anodization of titanium in fluoride-containing electrolytes are aligned perpendicular to the substrate surface, reducing the electron diffusion path to the external circuit in solar cells. The nanotube morphology can be optimized for the various applications by adjusting the anodization parameters but the optimum crystallinity of the nanotube arrays remains to be realized. In addition to morphology and crystallinity, the method of device fabrication significantly affects photon and electron dynamics and its energy conversion efficiency. This paper provides the state-of-the-art knowledge to achieve experimental tailoring of morphological parameters including nanotube diameter, length, wall thickness, array surface smoothness, and annealing of nanotube arrays.

Numerical solution of a multi-ion one-potential model for electroosmotic flow in two-dimensional rectangular microchannels.

PubMed

Van Theemsche, Achim; Deconinck, Johan; Van den Bossche, Bart; Bortels, Leslie

2002-10-01

A new more general numerical model for the simulation of electrokinetic flow in rectangular microchannels is presented. The model is based on the dilute solution model and the Navier-Stokes equations and has been implemented in a finite-element-based C++ code. The model includes the ion distribution in the Helmholtz double layer and considers only one single electrical' potential field variable throughout the domain. On a charged surface(s) the surface charge density, which is proportional to the local electrical field, is imposed. The zeta potential results, then, from this boundary condition and depends on concentrations, temperature, ion valence, molecular diffusion coefficients, and geometric conditions. Validation cases show that the model predicts accurately known analytical results, also for geometries having dimensions comparable to the Debye length. As a final study, the electro-osmotic flow in a controlled cross channel is investigated.

Wide-bandgap epitaxial heterojunction windows for silicon solar cells

NASA Technical Reports Server (NTRS)

Landis, Geoffrey A.; Loferski, Joseph J.; Beaulieu, Roland; Sekula-Moise, Patricia A.; Vernon, Stanley M.

1990-01-01

It is shown that the efficiency of a solar cell can be improved if minority carriers are confined by use of a wide-bandgap heterojunction window. For silicon (lattice constant a = 5.43 A), nearly lattice-matched wide-bandgap materials are ZnS (a = 5.41 A) and GaP (a = 5.45 A). Isotype n-n heterojuntions of both ZnS/Si and GaP/Si were grown on silicon n-p homojunction solar cells. Successful deposition processes used were metalorganic chemical vapor deposition (MO-CVD) for GaP and ZnS, and vacuum evaporation of ZnS. Planar (100) and (111) and texture-etched - (111)-faceted - surfaces were used. A decrease in minority-carrier surface recombination compared to a bare surface was seen from increased short-wavelength spectral response, increased open-circuit voltage, and reduced dark saturation current, with no degradation of the minority carrier diffusion length.

Surface and allied studies in silicon solar cells

NASA Technical Reports Server (NTRS)

Lindholm, F. A.

1984-01-01

Measuring small-signal admittance versus frequency and forward bias voltage together with a new transient measurement apparently provides the most reliable and flexible method available for determining back surface recombination velocity and low-injection lifetime of the quasineutral base region of silicon solar cells. The new transient measurement reported here is called short-circuit-current decay (SCCD). In this method, forward voltage equal to about the open-circuit or the maximum power voltage establishes excess holes and electrons in the junction transition region and in the quasineutral regions. The sudden application of a short circuit causes an exiting of the excess holes and electrons in the transition region within about ten picoseconds. From observing the slope and intercept of the subsequent current decay, the base lifetime and surface recombination velocity can be determined. The admittance measurement previously mentioned then enters to increase accuracy particularly for devices for which the diffusion length exceeds the base thickness.

Modeling of thin, back-wall silicon solar cells

NASA Technical Reports Server (NTRS)

Baraona, C. R.

1979-01-01

The performance of silicon solar cells with p-n junctions on the nonilluminated surface (i.e., upside-down or back-wall cells) was calculated. These structures consisted of a uniformly shaped p-type substrate layer, a p(+)-type field layer on the front (illuminated) surface, and a shallow, n-type junction on the back (nonilluminated) surface. A four-layer solar cell model was used to calculate efficiency, open-circuit voltage, and short-circuit current. The effect on performance of p-layer thickness and resistivity was determined. The diffusion length was varied to simulate the effect of radiation damage. The results show that peak initial efficiencies greater than 15 percent are possible for cell thicknesses or 100 micrometers or less. After 10 years of radiation damage in geosynchronous orbit, thin (25 to 50 micrometers thick) cells made from 10 to 100 ohm cm material show the smallest decrease (approximately 10 percent) in performance.

Solute-mediated interactions between active droplets

NASA Astrophysics Data System (ADS)

Moerman, Pepijn G.; Moyses, Henrique W.; van der Wee, Ernest B.; Grier, David G.; van Blaaderen, Alfons; Kegel, Willem K.; Groenewold, Jan; Brujic, Jasna

2017-09-01

Concentration gradients play a critical role in embryogenesis, bacterial locomotion, as well as the motility of active particles. Particles develop concentration profiles around them by dissolution, adsorption, or the reactivity of surface species. These gradients change the surface energy of the particles, driving both their self-propulsion and governing their interactions. Here, we uncover a regime in which solute gradients mediate interactions between slowly dissolving droplets without causing autophoresis. This decoupling allows us to directly measure the steady-state, repulsive force, which scales with interparticle distance as F ˜1 /r2 . Our results show that the dissolution process is diffusion rather than reaction rate limited, and the theoretical model captures the dependence of the interactions on droplet size and solute concentration, using a single fit parameter, l =16 ±3 nm , which corresponds to the length scale of a swollen micelle. Our results shed light on the out-of-equilibrium behavior of particles with surface reactivity.

An optical conveyor for molecules.

PubMed

Weinert, Franz M; Braun, Dieter

2009-12-01

Trapping single ions under vacuum allows for precise spectroscopy in atomic physics. The confinement of biological molecules in bulk water is hindered by the lack of comparably strong forces. Molecules have been immobilized to surfaces, however often with detrimental effects on their function. Here, we optically trap molecules by creating the microscale analogue of a conveyor belt: a bidirectional flow is combined with a perpendicular thermophoretic molecule drift. Arranged in a toroidal geometry, the conveyor accumulates a hundredfold excess of 5-base DNA within seconds. The concentrations of the trapped DNA scale exponentially with length, reaching trapping potential depths of 14 kT for 50 bases. The mechanism does not require microfluidics, electrodes, or surface modifications. As a result, the trap can be dynamically relocated. The optical conveyor can be used to enhance diffusion-limited surface reactions, redirect cellular signaling, observe individual biomolecules over a prolonged time, or approach single-molecule chemistry in bulk water.

Influence of annealing temperature on the Dy diffusion process in NdFeB magnets

NASA Astrophysics Data System (ADS)

Hu, Sheng-qing; Peng, Kun; Chen, Hong

2017-03-01

Sintered NdFeB magnets were coated with a layer of Dy metal using electron beam evaporation method and then annealed at various temperatures to investigate the temperature dependence of Dy diffusion process in NdFeB magnets. A Dy-rich phase was observed along the grain boundaries after the grain boundary diffusion process, the diffusion coefficients of various temperatures were obtained, the diffusion coefficients of Dy along the grain boundaries at 800 °C and 900 °C were determined to be 9.8×10-8 cm2 s-1 and 2.4×10-7 cm2 s-1, respectively. The diffusion length depended on the annealing temperature and the maximum diffusion length of approximately 1.8 mm and 3.0 mm can be obtained after annealing at 800 °C and 900 °C for 8 h. Higher diffusion temperature results in the diffusion not only along the grain boundaries but also into grains and then decrease in magnetic properties. The optimum annealing conditions can be determined as 900 °C for 8 h. The coercivity was improved from 1040 kA/m to 1450 kA/m and its magnetization has no significant reduction after the grain boundary diffusion process at the optimum annealing conditions.

One-dimensional Turbulence Models of Type I X-ray Bursts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hou, Chen

Type I X-ray bursts are caused by thermonuclear explosions occurring on the surface of an accreting neutron star in a binary star system. Observations and simulations of these phenomena are of great importance for understanding the fundamental properties of neutron stars and dense matter because the equation of state for cold dense matter can be constrained by the mass-radius relationship of neutron stars. During the bursts, turbulence plays a key role in mixing the fuels and driving the unstable nuclear burning process. This dissertation presents one-dimensional models of photospheric radius expansion bursts with a new approach to simulate turbulent advection.more » Compared with the traditional mixing length theory, the one-dimensional turbulence (ODT) model represents turbulent motions by a sequence of maps that are generated according to a stochastic process. The light curves I obtained with the ODT models are in good agreement with those of the KEPLER model in which the mixing length theory and various diffusive processes are applied. The abundance comparison, however, indicates that the differences in turbulent regions and turbulent diffusivities result in more 12C survival during the bursts in the ODT models, which can make a difference in the superbursts phenomena triggered by unstable carbon burning.« less

Classification of nanoparticle diffusion processes in vital cells by a multifeature random forests approach: application to simulated data, darkfield, and confocal laser scanning microscopy

NASA Astrophysics Data System (ADS)

Wagner, Thorsten; Kroll, Alexandra; Wiemann, Martin; Lipinski, Hans-Gerd

2016-04-01

Darkfield and confocal laser scanning microscopy both allow for a simultaneous observation of live cells and single nanoparticles. Accordingly, a characterization of nanoparticle uptake and intracellular mobility appears possible within living cells. Single particle tracking makes it possible to characterize the particle and the surrounding cell. In case of free diffusion, the mean squared displacement for each trajectory of a nanoparticle can be measured which allows computing the corresponding diffusion coefficient and, if desired, converting it into the hydrodynamic diameter using the Stokes-Einstein equation and the viscosity of the fluid. However, within the more complex system of a cell's cytoplasm unrestrained diffusion is scarce and several other types of movements may occur. Thus, confined or anomalous diffusion (e.g. diffusion in porous media), active transport, and combinations thereof were described by several authors. To distinguish between these types of particle movement we developed an appropriate classification method, and simulated three types of particle motion in a 2D plane using a Monte Carlo approach: (1) normal diffusion, using random direction and step-length, (2) subdiffusion, using confinements like a reflective boundary with defined radius or reflective objects in the closer vicinity, and (3) superdiffusion, using a directed flow added to the normal diffusion. To simulate subdiffusion we devised a new method based on tracks of different length combined with equally probable obstacle interaction. Next we estimated the fractal dimension, elongation and the ratio of long-time / short-time diffusion coefficients. These features were used to train a random forests classification algorithm. The accuracy for simulated trajectories with 180 steps was 97% (95%-CI: 0.9481-0.9884). The balanced accuracy was 94%, 99% and 98% for normal-, sub- and superdiffusion, respectively. Nanoparticle tracking analysis was used with 100 nm polystyrene particles to get trajectories for normal diffusion. As a next step we identified diffusion types of nanoparticles in vital cells and incubated V79 fibroblasts with 50 nm gold nanoparticles, which appeared as intensely bright objects due to their surface plasmon resonance. The movement of particles in both the extracellular and intracellular space was observed by dark field and confocal laser scanning microscopy. After reducing background noise from the video it became possible to identify individual particle spots by a maximum detection algorithm and trace them using the robust single-particle tracking algorithm proposed by Jaqaman, which is able to handle motion heterogeneity and particle disappearance. The particle trajectories inside cells indicated active transport (superdiffusion) as well as subdiffusion. Eventually, the random forest classification algorithm, after being trained by the above simulations, successfully classified the trajectories observed in live cells.

Bio-mixing due to Diel Vertical Migration of Daphnia spp. in a Small Lake

NASA Astrophysics Data System (ADS)

Simoncelli, Stefano; Wain, Danielle; Thackeray, Stephen

2016-04-01

Bio-turbulence or bio-mixing refers to the contribution of living organisms towards the mixing of waters in oceans and lakes. Experimental measurements in an unstratified tank by Wilhelmus & Dabiri (2014) show that zooplankton can trigger fluid instabilities through collective motions and that energy is imparted to scales bigger than organism's size of few mm. Length scales analysis, for low-Reynolds-number organisms in stratified water by Leshansky & Pismen (2010) and Kunze (2011), estimate eddy diffusivity up two orders of magnitude larger than the molecular thermal diffusivity. Very recently, Wand & Ardekani (2015) showed a maximum diffusivity of 10-5 m2/s for millimetre-sized organisms from numerical simulations in the intermediate Reynolds number regime. Here we focus our attention on turbulence generated by the vertical migration of zooplankton in a small lake, mostly populated by Daphnia spp. This very common species, belonging to Cladocera order, is engaged in a vertical migration (DVM) at sunset, with many organisms crossing the thermocline despite the density stratification. During the ascension they may create hydrodynamic disturbances in the lake interior where the stratification usually suppresses the vertical diffusion. We have conducted five turbulence experiments in Vobster Quay, a small (area ˜ 59,000 m2), deep (40m) man-made basin with small wind fetch and steep sides, located in the South West UK. Turbulence was measured with a temperature microstructure profiler. To asses the zooplankton vertical concentration we used a 100 μm mesh net, by collecting and analyzing samples in 8 layers of the lake. A bottom-mounted acoustic Doppler current profiler was also employed to track their concentration and migration with the measured backscatter strength. Measured dissipation rates ɛ during the day showed low turbulence level (<= 10-8 W/Kg) in the thermocline and in the zooplankton layer. Turbulence, during the DVM in two different days, is highest on the surface, likely due to surface processes. Peaks of 10-6.5 W/kg were measured within the migrating zooplankton layer with respect to profiles before sunset and estimated eddy diffusivity was as much as 10-5 m2/s. Before and after the time series there was no wind and penetrative convection associated with night-time cooling wasn't active during the experiments. Given the uncertainty in measuring the length scales of turbulence associated with small zooplankton and the presence of turbulence patches outside the migrating layer, further datasets are needed for definitive conclusions.

Centimetre-scale electron diffusion in photoactive organic heterostructures

NASA Astrophysics Data System (ADS)

Burlingame, Quinn; Coburn, Caleb; Che, Xiaozhou; Panda, Anurag; Qu, Yue; Forrest, Stephen R.

2018-02-01

The unique properties of organic semiconductors, such as flexibility and lightness, are increasingly important for information displays, lighting and energy generation. But organics suffer from both static and dynamic disorder, and this can lead to variable-range carrier hopping, which results in notoriously poor electrical properties, with low electron and hole mobilities and correspondingly short charge-diffusion lengths of less than a micrometre. Here we demonstrate a photoactive (light-responsive) organic heterostructure comprising a thin fullerene channel sandwiched between an electron-blocking layer and a blended donor:C70 fullerene heterojunction that generates charges by dissociating excitons. Centimetre-scale diffusion of electrons is observed in the fullerene channel, and this can be fitted with a simple electron diffusion model. Our experiments enable the direct measurement of charge diffusivity in organic semiconductors, which is as high as 0.83 ± 0.07 square centimetres per second in a C60 channel at room temperature. The high diffusivity of the fullerene combined with the extraordinarily long charge-recombination time yields diffusion lengths of more than 3.5 centimetres, orders of magnitude larger than expected for an organic system.

Slow positrons in single-crystal samples of Al and Al-AlxOy

NASA Astrophysics Data System (ADS)

Lynn, K. G.; Lutz, H.

1980-11-01

Well-characterized Al(111) and Al(100) samples were studied with monoenergetic positrons before and after exposure to oxygen. Both positronium-formation and positron-emission curves were obtained for various incident positron energies at sample temperatures ranging from 160-900 K. The orthopositronium decay signal provides a unique signature that the positron has emerged from the surface region of a clean metal. In the clean Al crystals part of the positronium formed near the surface is found to be associated with a temperature-activated process described as the thermally activated detrapping of a positron from a surface state. A simple positron diffusion model, including surface and vacancy trapping, is fitted to the positronium data and an estimate of the binding energy of the positron in this trap is made. The positron diffusion constant is found to have a negative temperature dependence before the onset of positron trapping at thermally generated monovacancies (>500 K), in reasonable agreement with theoretical predictions. The depth of the positron surface state is reduced or positronium is formed in the chemisorbed layer as oxygen is adsorbed on both Al sample surfaces, thus increasing the positronium fraction and decreasing the positron emission. At higher oxygen exposures [>500 L (1 L = 10-6 torr sec)] positron or positronium traps are generated in the overlayer and the positronium fraction is reduced. The amorphous-to-crystalline surface transition of AlxOy on Al is observed between 650 and 800 K by the change in the positronium fraction and is interpreted as the removal of trapping centers in the metal-oxide overlayer. At the higher temperatures and incident energies vacancy trapping is observed by the decrease in the positron diffusion length in both the clean and the underlying Al of the oxygen-exposed samples. Similar vacancy formation enthalpies for Al are extracted in both the clean and oxygen-covered samples by a simple model and are in good agreement with those measured by other experimental methods. This technique provides a new experimental means for the study of interfaces and thin films and the vacancy-type defects associated with them.

Ultra small angle x-ray scattering in complex mixtures of triacylglycerols

NASA Astrophysics Data System (ADS)

Peyronel, Fernanda; Quinn, Bonnie; Marangoni, Alejandro G.; Pink, David A.

2014-11-01

Ultra-small angle x-ray scattering (USAXS) has been used to elucidate, in situ, the aggregation structure of unsheared model edible oils. Each system comprised one or two solid lipids and a combination of liquid lipids. The 3D nano- to micro-structures of each system were characterized. The length scale investigated, using the Bonse-Hart camera at beamline ID-15D at the Advanced Photon Source, ANL, ranged from 300 Å-10 µm. Using the Unified Fit model, level-1 analysis showed that the scatterers were 2D objects with either a smooth, a rough, or a diffuse surface. These 2D objects had an average radius of gyration Rg1 between 200-1500 Å. Level-2 analysis displayed a slope between -1 and -2. Use of the Guinier-Porod model gave s ≈ 1 thus showing that it was cylinders (TAGwoods) aggregating with fractal dimension 1 ≤ D2 ≤ 2. D2 = 1 is consistent with 1D structures formed from TAGwoods, while D2 = 2 implies that the TAGwoods had formed structures characteristic of diffusion or reaction limited cluster-cluster aggregation (DLCA/RLCA). These aggregates exhibited radii of gyration, Rg2, between 2500 and 6500 Å. Level-3 analyses showed diffuse surfaces, for most of the systems. These interpretations are in accord with theoretical models which studied crystalline nano-platelets (CNPs) coated with nano-scale layers arising from phase separation at the CNP surfaces. These layers could be due to either liquid-liquid phase separation with the CNPs coated, uniformly or non-uniformly, by a diffuse layer of TAGs, or solid-liquid phase separation with the CNPs coated by a rough layer of crystallites. A fundamental understanding of the self-organizing structures arising in these systems helps advance the characterization of fat crystal networks from nanometres to micrometres. This research can be used to design novel fat structures that use healthier fats via nano- and meso-scale structural engineering.

No correlation between ultrasound placental grading at 31-34 weeks of gestation and a surrogate estimate of organ function at term obtained by stereological analysis.

PubMed

Yin, T T; Loughna, P; Ong, S S; Padfield, J; Mayhew, T M

2009-08-01

We test the experimental hypothesis that early changes in the ultrasound appearance of the placenta reflect poor or reduced placental function. The sonographic (Grannum) grade of placental maturity was compared to placental function as expressed by the morphometric oxygen diffusive conductance of the villous membrane. Ultrasonography was used to assess the Grannum grade of 32 placentas at 31-34 weeks of gestation. Indications for the scans included a history of previous fetal abnormalities, previous fetal growth problems or suspicion of IUGR. Placentas were classified from grade 0 (most immature) to grade III (most mature). We did not exclude smokers or complicated pregnancies as we aimed to correlate the early appearance of mature placentas with placental function. After delivery, microscopical fields on formalin-fixed, trichrome-stained histological sections of each placenta were obtained by multistage systematic uniform random sampling. Using design-based stereological methods, the exchange surface areas of peripheral (terminal and intermediate) villi and their fetal capillaries and the arithmetic and harmonic mean thicknesses of the villous membrane (maternal surface of villous trophoblast to adluminal surface of vascular endothelium) were estimated. An index of the variability in thickness of this membrane, and an estimate of its oxygen diffusive conductance, were derived secondarily as were estimates of the mean diameters and total lengths of villi and fetal capillaries. Group comparisons were drawn using analysis of variance. We found no significant differences in placental volume or composition or in the dimensions or diffusive conductances of the villous membrane. Subsequent exclusion of smokers did not alter these main findings. Grannum grades at 31-34 weeks of gestation appear not to provide reliable predictors of the functional capacity of the term placenta as expressed by the surrogate measure, morphometric diffusive conductance.

The Observed Properties of Liquid Helium at the Saturated Vapor Pressure

NASA Astrophysics Data System (ADS)

Donnelly, Russell J.; Barenghi, Carlo F.

1998-11-01

The equilibrium and transport properties of liquid 4He are deduced from experimental observations at the saturated vapor pressure. In each case, the bibliography lists all known measurements. Quantities reported here include density, thermal expansion coefficient, dielectric constant, superfluid and normal fluid densities, first, second, third, and fourth sound velocities, specific heat, enthalpy, entropy, surface tension, ion mobilities, mutual friction, viscosity and kinematic viscosity, dispersion curve, structure factor, thermal conductivity, latent heat, saturated vapor pressure, thermal diffusivity and Prandtl number of helium I, and displacement length and vortex core parameter in helium II.

Effects of temperature, loading rate and nanowire length on torsional deformation and mechanical properties of aluminium nanowires investigated using molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Sung, Po-Hsien; Wu, Cheng-Da; Fang, Te-Hua

2012-05-01

Single-crystal aluminium nanowires under torsion are studied using molecular dynamics simulations based on the many-body tight-binding potential. The effects of temperature, loading rate and nanowire length are evaluated in terms of atomic trajectories, potential energy, von Mises stress, a centrosymmetry parameter, torque, shear modulus and radial distribution function. Simulation results clearly show that torsional deformation begins at the surface, extends close to the two ends and finally diffuses to the middle part. The critical torsional angle which represents the beginning of plastic deformation varies with different conditions. Before the critical torsional angle is reached, the potential energy and the torque required for the deformation of a nanowire significantly increase with the torsional angle. The critical torsional angle increases with increasing nanowire length and loading rate and decreasing temperature. The torque required for the deformation decreases and the shear modulus increases with increasing nanowire length. For higher temperatures and higher loading rates, torsional buckling more easily occurs at the two ends of a nanowire, whereas it occurs towards the middle part at or below room temperature with lower loading rates. Geometry instability occurs before material instability (buckling) for a long nanowire.

Laser Surface Modification of H13 Die Steel using Different Laser Spot Sizes

NASA Astrophysics Data System (ADS)

Aqida, S. N.; Naher, S.; Brabazon, D.

2011-05-01

This paper presents a laser surface modification process of AISI H13 tool steel using three sizes of laser spot with an aim to achieve reduced grain size and surface roughness. A Rofin DC-015 diffusion-cooled CO2 slab laser was used to process AISI H13 tool steel samples. Samples of 10 mm diameter were sectioned to 100 mm length in order to process a predefined circumferential area. The parameters selected for examination were laser peak power, overlap percentage and pulse repetition frequency (PRF). Metallographic study and image analysis were done to measure the grain size and the modified surface roughness was measured using two-dimensional surface profilometer. From metallographic study, the smallest grain sizes measured by laser modified surface were between 0.51 μm and 2.54 μm. The minimum surface roughness, Ra, recorded was 3.0 μm. This surface roughness of the modified die steel is similar to the surface quality of cast products. The grain size correlation with hardness followed the findings correlate with Hall-Petch relationship. The potential found for increase in surface hardness represents an important method to sustain tooling life.

Molecular dynamics study of nanodroplet diffusion on smooth solid surfaces

NASA Astrophysics Data System (ADS)

Niu, Zhao-Xia; Huang, Tao; Chen, Yong

2018-10-01

We perform molecular dynamics simulations of Lennard-Jones particles in a canonical ensemble to study the diffusion of nanodroplets on smooth solid surfaces. Using the droplet-surface interaction to realize a hydrophilic or hydrophobic surface and calculating the mean square displacement of the center-of-mass of the nanodroplets, the random motion of nanodroplets could be characterized by shorttime subdiffusion, intermediate-time superdiffusion, and long-time normal diffusion. The short-time subdiffusive exponent increases and almost reaches unity (normal diffusion) with decreasing droplet size or enhancing hydrophobicity. The diffusion coefficient of the droplet on hydrophobic surfaces is larger than that on hydrophilic surfaces.

Anomalous Surface Diffusion of Protons on Lipid Membranes

PubMed Central

Wolf, Maarten G.; Grubmüller, Helmut; Groenhof, Gerrit

2014-01-01

The cellular energy machinery depends on the presence and properties of protons at or in the vicinity of lipid membranes. To asses the energetics and mobility of a proton near a membrane, we simulated an excess proton near a solvated DMPC bilayer at 323 K, using a recently developed method to include the Grotthuss proton shuttling mechanism in classical molecular dynamics simulations. We obtained a proton surface affinity of −13.0 ± 0.5 kJ mol−1. The proton interacted strongly with both lipid headgroup and linker carbonyl oxygens. Furthermore, the surface diffusion of the proton was anomalous, with a subdiffusive regime over the first few nanoseconds, followed by a superdiffusive regime. The time- and distance dependence of the proton surface diffusion coefficient within these regimes may also resolve discrepancies between previously reported diffusion coefficients. Our simulations show that the proton anomalous surface diffusion originates from restricted diffusion in two different surface-bound states, interrupted by the occasional bulk-mediated long-range surface diffusion. Although only a DMPC membrane was considered in this work, we speculate that the restrictive character of the on-surface diffusion is highly sensitive to the specific membrane conditions, which can alter the relative contributions of the surface and bulk pathways to the overall diffusion process. Finally, we discuss the implications of our findings for the energy machinery. PMID:24988343

Anomalous surface diffusion of protons on lipid membranes.

PubMed

Wolf, Maarten G; Grubmüller, Helmut; Groenhof, Gerrit

2014-07-01

The cellular energy machinery depends on the presence and properties of protons at or in the vicinity of lipid membranes. To asses the energetics and mobility of a proton near a membrane, we simulated an excess proton near a solvated DMPC bilayer at 323 K, using a recently developed method to include the Grotthuss proton shuttling mechanism in classical molecular dynamics simulations. We obtained a proton surface affinity of -13.0 ± 0.5 kJ mol(-1). The proton interacted strongly with both lipid headgroup and linker carbonyl oxygens. Furthermore, the surface diffusion of the proton was anomalous, with a subdiffusive regime over the first few nanoseconds, followed by a superdiffusive regime. The time- and distance dependence of the proton surface diffusion coefficient within these regimes may also resolve discrepancies between previously reported diffusion coefficients. Our simulations show that the proton anomalous surface diffusion originates from restricted diffusion in two different surface-bound states, interrupted by the occasional bulk-mediated long-range surface diffusion. Although only a DMPC membrane was considered in this work, we speculate that the restrictive character of the on-surface diffusion is highly sensitive to the specific membrane conditions, which can alter the relative contributions of the surface and bulk pathways to the overall diffusion process. Finally, we discuss the implications of our findings for the energy machinery. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Excess entropy scaling for the segmental and global dynamics of polyethylene melts.

PubMed

Voyiatzis, Evangelos; Müller-Plathe, Florian; Böhm, Michael C

2014-11-28

The range of validity of the Rosenfeld and Dzugutov excess entropy scaling laws is analyzed for unentangled linear polyethylene chains. We consider two segmental dynamical quantities, i.e. the bond and the torsional relaxation times, and two global ones, i.e. the chain diffusion coefficient and the viscosity. The excess entropy is approximated by either a series expansion of the entropy in terms of the pair correlation function or by an equation of state for polymers developed in the context of the self associating fluid theory. For the whole range of temperatures and chain lengths considered, the two estimates of the excess entropy are linearly correlated. The scaled bond and torsional relaxation times fall into a master curve irrespective of the chain length and the employed scaling scheme. Both quantities depend non-linearly on the excess entropy. For a fixed chain length, the reduced diffusion coefficient and viscosity scale linearly with the excess entropy. An empirical reduction to a chain length-independent master curve is accessible for both dynamic quantities. The Dzugutov scheme predicts an increased value of the scaled diffusion coefficient with increasing chain length which contrasts physical expectations. The origin of this trend can be traced back to the density dependence of the scaling factors. This finding has not been observed previously for Lennard-Jones chain systems (Macromolecules, 2013, 46, 8710-8723). Thus, it limits the applicability of the Dzugutov approach to polymers. In connection with diffusion coefficients and viscosities, the Rosenfeld scaling law appears to be of higher quality than the Dzugutov approach. An empirical excess entropy scaling is also proposed which leads to a chain length-independent correlation. It is expected to be valid for polymers in the Rouse regime.

Modeling the Total Dose Radiation Effects of Hg(1-x)Cd(x)Te Photodiodes Using Numerical Device Simulators

DTIC Science & Technology

1994-01-01

Dosimetry : Analysis of dosimetry in two dewar/liquid nitrogen systems. TIME Estimate: One hour for setup, irradiation and TLD reading/analysis. IV...point indicates both electron and hole trapping at the boundary ........................ 12 3.3 Relationship between current and dose for irradiated...peak value. Carriers are collected across the vertical junction within a diffusion length. Since the electron diffusion length is much larger than for

Subdiffusive exciton transport in quantum dot solids.

PubMed

Akselrod, Gleb M; Prins, Ferry; Poulikakos, Lisa V; Lee, Elizabeth M Y; Weidman, Mark C; Mork, A Jolene; Willard, Adam P; Bulović, Vladimir; Tisdale, William A

2014-06-11

Colloidal quantum dots (QDs) are promising materials for use in solar cells, light-emitting diodes, lasers, and photodetectors, but the mechanism and length of exciton transport in QD materials is not well understood. We use time-resolved optical microscopy to spatially visualize exciton transport in CdSe/ZnCdS core/shell QD assemblies. We find that the exciton diffusion length, which exceeds 30 nm in some cases, can be tuned by adjusting the inorganic shell thickness and organic ligand length, offering a powerful strategy for controlling exciton movement. Moreover, we show experimentally and through kinetic Monte Carlo simulations that exciton diffusion in QD solids does not occur by a random-walk process; instead, energetic disorder within the inhomogeneously broadened ensemble causes the exciton diffusivity to decrease over time. These findings reveal new insights into exciton dynamics in disordered systems and demonstrate the flexibility of QD materials for photonic and optoelectronic applications.

Mechanisms limiting the performance of large grain polycrystalline silicon solar cells

NASA Technical Reports Server (NTRS)

Culik, J. S.; Alexander, P.; Dumas, K. A.; Wohlgemuth, J. W.

1984-01-01

The open-circuit voltage and short-circuit current of large-grain (1 to 10 mm grain diameter) polycrystalline silicon solar cells is determined by the minority-carrier diffusion length within the bulk of the grains. This was demonstrated by irradiating polycrystalline and single-crystal (Czochralski) silicon solar cells with 1 MeV electrons to reduce their bulk lifetime. The variation of short-circuit current with minority-carrier diffusion length for the polycrystalline solar cells is identical to that of the single-crystal solar cells. The open-circuit voltage versus short-circuit current characteristic of the polycrystalline solar cells for reduced diffusion lengths is also identical to that of the single-crystal solar cells. The open-circuit voltage of the polycrystalline solar cells is a strong function of quasi-neutral (bulk) recombination, and is reduced only slightly, if at all, by grain-boundary recombination.

Mathematical analysis of the Photovoltage Decay (PVD) method for minority carrier lifetime measurements

NASA Technical Reports Server (NTRS)

Vonroos, O. H.

1982-01-01

When the diffusion length of minority carriers becomes comparable with or larger than the thickness of a p-n junction solar cell, the characteristic decay of the photon-generated voltage results from a mixture of contributions with different time constants. The minority carrier recombination lifetime tau and the time constant l(2)/D, where l is essentially the thickness of the cell and D the minority carrier diffusion length, determine the signal as a function of time. It is shown that for ordinary solar cells (n(+)-p junctions), particularly when the diffusion length L of the minority carriers is larger than the cell thickness l, the excess carrier density decays according to exp (-t/tau-pi(2)Dt/4l(2)), tau being the lifetime. Therefore, tau can be readily determined by the photovoltage decay method once D and L are known.

Passive micromixer using by convection and surface tension effects with air-liquid interface.

PubMed

Ju, Jongil; Warrick, Jay

2013-12-01

This article describes a passive micromixer that utilizes an air-liquid interface and surface tension effects to enhance fluid mixing via convection and Marangoni effects. Performance of the microfluidic component is tested within a passive-pumping-based device that consists of three microchannels connected in succession using passive micro-mixers. Mixing was quantified at 5 key points along the length of the device using microscope images of patterned streams of Alexa 488 fluorescent-dyed water and pure DI water flowing through the device. The passive micro-mixer mixed fluid 15-20 times more effectively than diffusion between laminar flow streams alone and is a novel micro-mixer embodiment that provides an additional strategy for removing external components from microscale devices for simpler, autonomous operation.

Passive micromixer using by convection and surface tension effects with air-liquid interface

PubMed Central

Ju, Jongil; Warrick, Jay

2014-01-01

This article describes a passive micromixer that utilizes an air-liquid interface and surface tension effects to enhance fluid mixing via convection and Marangoni effects. Performance of the microfluidic component is tested within a passive-pumping-based device that consists of three microchannels connected in succession using passive micro-mixers. Mixing was quantified at 5 key points along the length of the device using microscope images of patterned streams of Alexa 488 fluorescent-dyed water and pure DI water flowing through the device. The passive micro-mixer mixed fluid 15–20 times more effectively than diffusion between laminar flow streams alone and is a novel micro-mixer embodiment that provides an additional strategy for removing external components from microscale devices for simpler, autonomous operation. PMID:25104979

A Green's function method for simulation of time-dependent solute transport and reaction in realistic microvascular geometries.

PubMed

Secomb, Timothy W

2016-12-01

A novel theoretical method is presented for simulating the spatially resolved convective and diffusive transport of reacting solutes between microvascular networks and the surrounding tissues. The method allows for efficient computational solution of problems involving convection and non-linear binding of solutes in blood flowing through microvascular networks with realistic 3D geometries, coupled with transvascular exchange and diffusion and reaction in the surrounding tissue space. The method is based on a Green's function approach, in which the solute concentration distribution in the tissue is expressed as a sum of fields generated by time-varying distributions of discrete sources and sinks. As an example of the application of the method, the washout of an inert diffusible tracer substance from a tissue region perfused by a network of microvessels is simulated, showing its dependence on the solute's transvascular permeability and tissue diffusivity. Exponential decay of the washout concentration is predicted, with rate constants that are about 10-30% lower than the rate constants for a tissue cylinder model with the same vessel length, vessel surface area and blood flow rate per tissue volume. © The authors 2015. Published by Oxford University Press on behalf of the Institute of Mathematics and its Applications. All rights reserved.

Theoretical analysis of nBn infrared photodetectors

NASA Astrophysics Data System (ADS)

Ting, David Z.; Soibel, Alexander; Khoshakhlagh, Arezou; Gunapala, Sarath D.

2017-09-01

The depletion and surface leakage dark current suppression properties of unipolar barrier device architectures such as the nBn have been highly beneficial for III-V semiconductor-based infrared detectors. Using a one-dimensional drift-diffusion model, we theoretically examine the effects of contact doping, minority carrier lifetime, and absorber doping on the dark current characteristics of nBn detectors to explore some basic aspects of their operation. We found that in a properly designed nBn detector with highly doped excluding contacts the minority carriers are extracted to nonequilibrium levels under reverse bias in the same manner as the high operating temperature (HOT) detector structure. Longer absorber Shockley-Read-Hall (SRH) lifetimes result in lower diffusion and depletion dark currents. Higher absorber doping can also lead to lower diffusion and depletion dark currents, but the benefit should be weighted against the possibility of reduced diffusion length due to shortened SRH lifetime. We also briefly examined nBn structures with unintended minority carrier blocking barriers due to excessive n-doping in the unipolar electron barrier, or due to a positive valence band offset between the barrier and the absorber. Both types of hole blocking structures lead to higher turn-on bias, although barrier n-doping could help suppress depletion dark current.

Chemical transport models: the combined non-local diffusion and mixing schemes, and calculation of in-canopy resistance for dry deposition fluxes.

PubMed

Mihailovic, Dragutin T; Alapaty, Kiran; Podrascanin, Zorica

2009-03-01

Improving the parameterization of processes in the atmospheric boundary layer (ABL) and surface layer, in air quality and chemical transport models. To do so, an asymmetrical, convective, non-local scheme, with varying upward mixing rates is combined with the non-local, turbulent, kinetic energy scheme for vertical diffusion (COM). For designing it, a function depending on the dimensionless height to the power four in the ABL is suggested, which is empirically derived. Also, we suggested a new method for calculating the in-canopy resistance for dry deposition over a vegetated surface. The upward mixing rate forming the surface layer is parameterized using the sensible heat flux and the friction and convective velocities. Upward mixing rates varying with height are scaled with an amount of turbulent kinetic energy in layer, while the downward mixing rates are derived from mass conservation. The vertical eddy diffusivity is parameterized using the mean turbulent velocity scale that is obtained by the vertical integration within the ABL. In-canopy resistance is calculated by integration of inverse turbulent transfer coefficient inside the canopy from the effective ground roughness length to the canopy source height and, further, from its the canopy height. This combination of schemes provides a less rapid mass transport out of surface layer into other layers, during convective and non-convective periods, than other local and non-local schemes parameterizing mixing processes in the ABL. The suggested method for calculating the in-canopy resistance for calculating the dry deposition over a vegetated surface differs remarkably from the commonly used one, particularly over forest vegetation. In this paper, we studied the performance of a non-local, turbulent, kinetic energy scheme for vertical diffusion combined with a non-local, convective mixing scheme with varying upward mixing in the atmospheric boundary layer (COM) and its impact on the concentration of pollutants calculated with chemical and air-quality models. In addition, this scheme was also compared with a commonly used, local, eddy-diffusivity scheme. Simulated concentrations of NO2 by the COM scheme and new parameterization of the in-canopy resistance are closer to the observations when compared to those obtained from using the local eddy-diffusivity scheme. Concentrations calculated with the COM scheme and new parameterization of in-canopy resistance, are in general higher and closer to the observations than those obtained by the local, eddy-diffusivity scheme (on the order of 15-22%). To examine the performance of the scheme, simulated and measured concentrations of a pollutant (NO2) were compared for the years 1999 and 2002. The comparison was made for the entire domain used in simulations performed by the chemical European Monitoring and Evaluation Program Unified model (version UNI-ACID, rv2.0) where schemes were incorporated.

Ex Vivo Diffusion Tensor Imaging of Spinal Cord Injury in Rats of Varying Degrees of Severity

PubMed Central

Jirjis, Michael B.; Kurpad, Shekar N.

2013-01-01

Abstract The aim of this study was to characterize magnetic resonance diffusion tensor imaging (DTI) in proximal regions of the spinal cord following a thoracic spinal cord injury (SCI). Sprague–Dawley rats (n=40) were administered a control, mild, moderate, or severe contusion injury at the T8 vertebral level. Six direction diffusion weighted images (DWIs) were collected ex vivo along the length of the spinal cord, with an echo/repetition time of 31.6 ms/14 sec and b=500 sec/mm2. Diffusion metrics were correlated to hindlimb motor function. Significant differences were found for whole cord region of interest (ROI) drawings for fractional anisotropy (FA), mean diffusivity (MD), longitudinal diffusion coefficient (LD), and radial diffusion coefficient (RD) at each of the cervical levels (p<0.01). Motor function correlated with MD in the cervical segments of the spinal cord (r2=0.80). The diffusivity of water significantly decreased throughout “uninjured” portions of the spinal cord following a contusion injury (p<0.05). Diffusivity metrics were found to be altered following SCI in both white and gray matter regions. Injury severity was associated with diffusion changes over the entire length of the cord. This study demonstrates that DTI is sensitive to SCI in regions remote from injury, suggesting that the diffusion metrics may be used as a biomarker for severity of injury. PMID:23782233

In Situ Graphene Growth Dynamics on Polycrystalline Catalyst Foils

PubMed Central

2016-01-01

The dynamics of graphene growth on polycrystalline Pt foils during chemical vapor deposition (CVD) are investigated using in situ scanning electron microscopy and complementary structural characterization of the catalyst with electron backscatter diffraction. A general growth model is outlined that considers precursor dissociation, mass transport, and attachment to the edge of a growing domain. We thereby analyze graphene growth dynamics at different length scales and reveal that the rate-limiting step varies throughout the process and across different regions of the catalyst surface, including different facets of an individual graphene domain. The facets that define the domain shapes lie normal to slow growth directions, which are determined by the interfacial mobility when attachment to domain edges is rate-limiting, as well as anisotropy in surface diffusion as diffusion becomes rate-limiting. Our observations and analysis thus reveal that the structure of CVD graphene films is intimately linked to that of the underlying polycrystalline catalyst, with both interfacial mobility and diffusional anisotropy depending on the presence of step edges and grain boundaries. The growth model developed serves as a general framework for understanding and optimizing the growth of 2D materials on polycrystalline catalysts. PMID:27576749

Non-local damage rheology and size effect

NASA Astrophysics Data System (ADS)

Lyakhovsky, V.

2011-12-01

We study scaling relations controlling the onset of transiently-accelerating fracturing and transition to dynamic rupture propagation in a non-local damage rheology model. The size effect is caused principally by growth of a fracture process zone, involving stress redistribution and energy release associated with a large fracture. This implies that rupture nucleation and transition to dynamic propagation are inherently scale-dependent processes. Linear elastic fracture mechanics (LEFM) and local damage mechanics are formulated in terms of dimensionless strain components and thus do not allow introducing any space scaling, except linear relations between fracture length and displacements. Generalization of Weibull theory provides scaling relations between stress and crack length at the onset of failure. A powerful extension of the LEFM formulation is the displacement-weakening model which postulates that yielding is complete when the crack wall displacement exceeds some critical value or slip-weakening distance Dc at which a transition to kinetic friction is complete. Scaling relations controlling the transition to dynamic rupture propagation in slip-weakening formulation are widely accepted in earthquake physics. Strong micro-crack interaction in a process zone may be accounted for by adopting either integral or gradient type non-local damage models. We formulate a gradient-type model with free energy depending on the scalar damage parameter and its spatial derivative. The damage-gradient term leads to structural stresses in the constitutive stress-strain relations and a damage diffusion term in the kinetic equation for damage evolution. The damage diffusion eliminates the singular localization predicted by local models. The finite width of the localization zone provides a fundamental length scale that allows numerical simulations with the model to achieve the continuum limit. A diffusive term in the damage evolution gives rise to additional damage diffusive time scale associated with the structural length scale. The ratio between two time scales associated with damage accumulation and diffusion, the damage diffusivity ratio, reflects the role of the diffusion-controlled delocalization. We demonstrate that localized fracturing occurs at the damage diffusivity ratio below certain critical value leading to a linear scaling between stress and crack length compatible with size effect for failures at crack initiation. A subseuqent quasi-static fracture growth is self-similar with increasing size of the process zone proportional to the fracture length. At a certain stage, controlled by dynamic weakening, the self-similarity breaks down and crack velocity significantly deviates from that predicted by the quasi-static regime, the size of the process zone decreases, and the rate of crack growth ceases to be controlled by the rate of damage increase. Furthermore, the crack speed approaches that predicted by the elasto-dynamic equation. The non-local damage rheology model predicts that the nucleation size of the dynamic fracture scales with fault zone thickness distance of the stress interraction.

Spin-dependent quantum transport in nanoscaled geometries

NASA Astrophysics Data System (ADS)

Heremans, Jean J.

2011-10-01

We discuss experiments where the spin degree of freedom leads to quantum interference phenomena in the solid-state. Under spin-orbit interactions (SOI), spin rotation modifies weak-localization to weak anti-localization (WAL). WAL's sensitivity to spin- and phase coherence leads to its use in determining the spin coherence lengths Ls in materials, of importance moreover in spintronics. Using WAL we measure the dependence of Ls on the wire width w in narrow nanolithographic ballistic InSb wires, ballistic InAs wires, and diffusive Bi wires with surface states with Rashba-like SOI. In all three systems we find that Ls increases with decreasing w. While theory predicts the increase for diffusive wires with linear (Rashba) SOI, we experimentally conclude that the increase in Ls under dimensional confinement may be more universal, with consequences for various applications. Further, in mesoscopic ring geometries on an InAs/AlGaSb 2D electron system (2DES) we observe both Aharonov-Bohm oscillations due to spatial quantum interference, and Altshuler-Aronov-Spivak oscillations due to time-reversed paths. A transport formalism describing quantum coherent networks including ballistic transport and SOI allows a comparison of spin- and phase coherence lengths extracted for such spatial- and temporal-loop quantum interference phenomena. We further applied WAL to study the magnetic interactions between a 2DES at the surface of InAs and local magnetic moments on the surface from rare earth (RE) ions (Gd3+, Ho3+, and Sm3+). The magnetic spin-flip rate carries information about magnetic interactions. Results indicate that the heavy RE ions increase the SOI scattering rate and the spin-flip rate, the latter indicating magnetic interactions. Moreover Ho3+ on InAs yields a spin-flip rate with an unusual power 1/2 temperature dependence, possibly characteristic of a Kondo system. We acknowledge funding from DOE (DE-FG02-08ER46532).

Ballistic thermophoresis of adsorbates on free-standing graphene.

PubMed

Panizon, Emanuele; Guerra, Roberto; Tosatti, Erio

2017-08-22

The textbook thermophoretic force which acts on a body in a fluid is proportional to the local temperature gradient. The same is expected to hold for the macroscopic drift behavior of a diffusive cluster or molecule physisorbed on a solid surface. The question we explore here is whether that is still valid on a 2D membrane such as graphene at short sheet length. By means of a nonequilibrium molecular dynamics study of a test system-a gold nanocluster adsorbed on free-standing graphene clamped between two temperatures [Formula: see text] apart-we find a phoretic force which for submicron sheet lengths is parallel to, but basically independent of, the local gradient magnitude. This identifies a thermophoretic regime that is ballistic rather than diffusive, persisting up to and beyond a 100-nanometer sheet length. Analysis shows that the phoretic force is due to the flexural phonons, whose flow is known to be ballistic and distance-independent up to relatively long mean-free paths. However, ordinary harmonic phonons should only carry crystal momentum and, while impinging on the cluster, should not be able to impress real momentum. We show that graphene and other membrane-like monolayers support a specific anharmonic connection between the flexural corrugation and longitudinal phonons whose fast escape leaves behind a 2D-projected mass density increase endowing the flexural phonons, as they move with their group velocity, with real momentum, part of which is transmitted to the adsorbate through scattering. The resulting distance-independent ballistic thermophoretic force is not unlikely to possess practical applications.

Ballistic thermophoresis of adsorbates on free-standing graphene

PubMed Central

Panizon, Emanuele; Guerra, Roberto; Tosatti, Erio

2017-01-01

The textbook thermophoretic force which acts on a body in a fluid is proportional to the local temperature gradient. The same is expected to hold for the macroscopic drift behavior of a diffusive cluster or molecule physisorbed on a solid surface. The question we explore here is whether that is still valid on a 2D membrane such as graphene at short sheet length. By means of a nonequilibrium molecular dynamics study of a test system—a gold nanocluster adsorbed on free-standing graphene clamped between two temperatures ΔT apart—we find a phoretic force which for submicron sheet lengths is parallel to, but basically independent of, the local gradient magnitude. This identifies a thermophoretic regime that is ballistic rather than diffusive, persisting up to and beyond a 100-nanometer sheet length. Analysis shows that the phoretic force is due to the flexural phonons, whose flow is known to be ballistic and distance-independent up to relatively long mean-free paths. However, ordinary harmonic phonons should only carry crystal momentum and, while impinging on the cluster, should not be able to impress real momentum. We show that graphene and other membrane-like monolayers support a specific anharmonic connection between the flexural corrugation and longitudinal phonons whose fast escape leaves behind a 2D-projected mass density increase endowing the flexural phonons, as they move with their group velocity, with real momentum, part of which is transmitted to the adsorbate through scattering. The resulting distance-independent ballistic thermophoretic force is not unlikely to possess practical applications. PMID:28774954

Photoactivatable fluorescent probes reveal heterogeneous nanoparticle permeation through biological gels at multiple scales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schuster, Benjamin S.; Allan, Daniel B.; Kays, Joshua C.

Diffusion through biological gels is crucial for effective drug delivery using nanoparticles. Here, we demonstrate a new method to measure diffusivity over a large range of length scales – from tens of nanometers to tens of micrometers – using photoactivatable fluorescent nanoparticle probes. We have applied this method to investigate the length-scale dependent mobility of nanoparticles in fibrin gels and in sputum from patients with cystic fibrosis (CF). Nanoparticles composed of poly(lactic-co-glycolic acid), with polyethylene glycol coatings to resist bioadhesion, were internally labeled with caged rhodamine to make the particles photoactivatable. We activated particles within a region of sample usingmore » brief, targeted exposure to UV light, uncaging the rhodamine and causing the particles in that region to become fluorescent. We imaged the subsequent spatiotemporal evolution in fluorescence intensity and observed the collective particle diffusion over tens of minutes and tens of micrometers. We also performed complementary multiple particle tracking experiments on the same particles, extending significantly the range over which particle motion and its heterogeneity can be observed. In fibrin gels, both methods showed an immobile fraction of particles and a mobile fraction that diffused over all measured length scales. In the CF sputum, particle diffusion was spatially heterogeneous and locally anisotropic but nevertheless typically led to unbounded transport extending tens of micrometers within tens of minutes. Lastly, these findings provide insight into the mesoscale architecture of these gels and its role in setting their permeability on physiologically relevant length scales, pointing toward strategies for improving nanoparticle drug delivery.« less

Photoactivatable fluorescent probes reveal heterogeneous nanoparticle permeation through biological gels at multiple scales

DOE PAGES

Schuster, Benjamin S.; Allan, Daniel B.; Kays, Joshua C.; ...

2017-05-31

Diffusion through biological gels is crucial for effective drug delivery using nanoparticles. Here, we demonstrate a new method to measure diffusivity over a large range of length scales – from tens of nanometers to tens of micrometers – using photoactivatable fluorescent nanoparticle probes. We have applied this method to investigate the length-scale dependent mobility of nanoparticles in fibrin gels and in sputum from patients with cystic fibrosis (CF). Nanoparticles composed of poly(lactic-co-glycolic acid), with polyethylene glycol coatings to resist bioadhesion, were internally labeled with caged rhodamine to make the particles photoactivatable. We activated particles within a region of sample usingmore » brief, targeted exposure to UV light, uncaging the rhodamine and causing the particles in that region to become fluorescent. We imaged the subsequent spatiotemporal evolution in fluorescence intensity and observed the collective particle diffusion over tens of minutes and tens of micrometers. We also performed complementary multiple particle tracking experiments on the same particles, extending significantly the range over which particle motion and its heterogeneity can be observed. In fibrin gels, both methods showed an immobile fraction of particles and a mobile fraction that diffused over all measured length scales. In the CF sputum, particle diffusion was spatially heterogeneous and locally anisotropic but nevertheless typically led to unbounded transport extending tens of micrometers within tens of minutes. Lastly, these findings provide insight into the mesoscale architecture of these gels and its role in setting their permeability on physiologically relevant length scales, pointing toward strategies for improving nanoparticle drug delivery.« less

Performance Characteristics of Plane-Wall Two-Dimensional Diffusers

NASA Technical Reports Server (NTRS)

Reid, Elliott G

1953-01-01

Experiments have been made at Stanford University to determine the performance characteristics of plane-wall, two-dimensional diffusers which were so proportioned as to insure reasonable approximation of two-dimensional flow. All of the diffusers had identical entrance cross sections and discharged directly into a large plenum chamber; the test program included wide variations of divergence angle and length. During all tests a dynamic pressure of 60 pounds per square foOt was maintained at the diffuser entrance and the boundary layer there was thin and fully turbulent. The most interesting flow characteristics observed were the occasional appearance of steady, unseparated, asymmetric flow - which was correlated with the boundary-layer coalescence - and the rapid deterioration of flow steadiness - which occurred as soon as the divergence angle for maximum static pressure recovery was exceeded. Pressure efficiency was found to be controlled almost exclusively by divergence angle, whereas static pressure recovery was markedly influenced by area ratio (or length) as well as divergence angle. Volumetric efficiency. diminished as area ratio increased, and at a greater rate with small lengths than with large ones. Large values of the static-pressure-recovery coefficient were attained only with long diffusers of large area ratio; under these conditions pressure efficiency was high and. volumetric efficiency low. Auxiliary tests with asymmetric diffusers demonstrated that longitudinal pressure gradient, rather than wall divergence angle, controlled flow separation. Others showed that the addition of even a short exit duct of uniform section augmented pressure recovery. Finally, it was found that the installation of a thin, central, longitudinal partition suppressed flow separation in short diffusers and thereby improved pressure recovery

Fluorescence-correlation spectroscopy study of molecular transport within reversed-phase chromatographic particles compared to planar model surfaces.

PubMed

Cooper, Justin; Harris, Joel M

2014-12-02

Reversed-phase liquid chromatography (RPLC) is a widely used technique for molecular separations. Stationary-phase materials for RPLC generally consist of porous silica-gel particles functionalized with n-alkane ligands. Understanding motions of molecules within the interior of these particles is important for developing efficient chromatographic materials and separations. To characterize these dynamics, time-resolved spectroscopic methods (photobleach recovery, fluorescence correlation, single-molecule imaging) have been adapted to measure molecular diffusion rates, typically at n-alkane-modified planar silica surfaces, which serve as models of chromatographic interfaces. A question arising from these studies is how dynamics of molecules on a planar surface relate to motions of molecules within the interior of a porous chromatographic particle. In this paper, imaging-fluorescence-correlation spectroscopy is used to measure diffusion rates of a fluorescent probe molecule 1,1'-dioctadecyl-3,3,3'3'-tetramethylindocarbocyanine perchlorate (DiI) within authentic RPLC porous silica particles and compared with its diffusion at a planar C18-modified surface. The results show that surface diffusion on the planar C18 substrate is much faster than the diffusion rate of the probe molecule through a chromatographic particle. Surface diffusion within porous particles, however, is governed by molecular trajectories along the tortuous contours of the interior surface of the particles. By accounting for the greater surface area that a molecule must explore to diffuse macroscopic distances through the particle, the molecular-scale diffusion rates on the two surfaces can be compared, and they are virtually identical. These results provide support for the relevance of surface-diffusion measurements made on planar model surfaces to the dynamic behavior of molecules on the internal surfaces of porous chromatographic particles.

Heat and water rate transfer processes in the human respiratory tract at various altitudes.

PubMed

Kandjov, I M

2001-02-01

The process of the respiratory air conditioning as a process of heat and mass exchange at the interface inspired air-airways surface was studied. Using a model of airways (Olson et al., 1970) where the segments of the respiratory tract are like cylinders with a fixed length and diameter, the corresponding heat transfer equations, in the paper are founded basic rate exchange parameters-convective heat transfer coefficient h(c)(W m(-2) degrees C(-1)) and evaporative heat transfer coefficient h(e)(W m(-2)hPa(-1)). The rate transfer parameters assumed as sources with known heat power are connected to airflow rate in different airways segments. Relationships expressing warming rate of inspired air due to convection, warming rate of inspired air due to evaporation, water diffused in the inspired air from the airways wall, i.e. a system of air conditioning parameters, was composed. The altitude dynamics of the relations is studied. Every rate conditioning parameter is an increasing function of altitude. The process of diffusion in the peripheral bronchial generations as a basic transfer process is analysed. The following phenomenon is in effect: the diffusion coefficient increases with altitude and causes a compensation of simultaneous decreasing of O(2)and CO(2)densities in atmospheric air. Due to this compensation, the diffusion in the peripheral generations with altitude is approximately constant. The elements of the human anatomy optimality as well as the established dynamics are discussed and assumed. The square form of the airways after the trachea expressed in terms of transfer supposes (in view of maximum contact surface), that a maximum heat and water exchange is achieved, i.e. high degree of air condition at fixed environmental parameters and respiration regime. Copyright 2001 Academic Press.

Long vertically aligned titania nanotubes on transparent conducting oxide for highly efficient solar cells.

PubMed

Varghese, Oomman K; Paulose, Maggie; Grimes, Craig A

2009-09-01

Dye-sensitized solar cells consist of a random network of titania nanoparticles that serve both as a high-surface-area support for dye molecules and as an electron-transporting medium. Despite achieving high power conversion efficiencies, their performance is limited by electron trapping in the nanoparticle film. Electron diffusion lengths can be increased by transporting charge through highly ordered nanostructures such as titania nanotube arrays. Although titania nanotube array films have been shown to enhance the efficiencies of both charge collection and light harvesting, it has not been possible to grow them on transparent conducting oxide glass with the lengths needed for high-efficiency device applications (tens of micrometres). Here, we report the fabrication of transparent titania nanotube array films on transparent conducting oxide glass with lengths between 0.3 and 33.0 microm using a novel electrochemistry approach. Dye-sensitized solar cells containing these arrays yielded a power conversion efficiency of 6.9%. The incident photon-to-current conversion efficiency ranged from 70 to 80% for wavelengths between 450 and 650 nm.

Description of Hydration Water in Protein (Green Fluorescent Protein) Solution

DOE PAGES

Perticaroli, Stefania; Ehlers, Georg; Stanley, Christopher B.; ...

2016-10-26

The structurally and dynamically perturbed hydration shells that surround proteins and biomolecules have a substantial influence upon their function and stability. This makes the extent and degree of water perturbation of practical interest for general biological study and industrial formulation. Here, we present an experimental description of the dynamical perturbation of hydration water around green fluorescent protein in solution. Less than two shells (~5.5 Å) were perturbed, with dynamics a factor of 2–10 times slower than bulk water, depending on their distance from the protein surface and the probe length of the measurement. Furthermore, this dependence on probe length demonstratesmore » that hydration water undergoes subdiffusive motions (τ ∝ q –2.5 for the first hydration shell, τ ∝ q –2.3 for perturbed water in the second shell), an important difference with neat water, which demonstrates diffusive behavior (τ ∝ q –2). Our results help clarify the seemingly conflicting range of values reported for hydration water retardation as a logical consequence of the different length scales probed by the analytical techniques used.« less

Radiation defect dynamics in Si at room temperature studied by pulsed ion beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallace, J. B.; Myers, M. T.; Charnvanichborikarn, S.

The evolution of radiation defects after the thermalization of collision cascades often plays the dominant role in the formation of stable radiation disorder in crystalline solids of interest to electronics and nuclear materials applications. Here, we explore a pulsed-ion-beam method to study defect interaction dynamics in Si crystals bombarded at room temperature with 500 keV Ne, Ar, Kr, and Xe ions. The effective time constant of defect interaction is measured directly by studying the dependence of lattice disorder, monitored by ion channeling, on the passive part of the beam duty cycle. The effective defect diffusion length is revealed by the dependencemore » of damage on the active part of the beam duty cycle. Results show that the defect relaxation behavior obeys a second order kinetic process for all the cases studied, with a time constant in the range of ∼4–13 ms and a diffusion length of ∼15–50 nm. Both radiation dynamics parameters (the time constant and diffusion length) are essentially independent of the maximum instantaneous dose rate, total ion dose, and dopant concentration within the ranges studied. However, both the time constant and diffusion length increase with increasing ion mass. This demonstrates that the density of collision cascades influences not only defect production and annealing efficiencies but also the defect interaction dynamics.« less

Radiation defect dynamics in Si at room temperature studied by pulsed ion beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallace, J. B.; Charnvanichborikarn, S.; Bayu Aji, L. B.

The evolution of radiation defects after the thermalization of collision cascades often plays the dominant role in the formation of stable radiation disorder in crystalline solids of interest to electronics and nuclear materials applications. Here in this paper, we explore a pulsed-ion-beam method to study defect interaction dynamics in Si crystals bombarded at room temperature with 500 keV Ne, Ar, Kr, and Xe ions. The effective time constant of defect interaction is measured directly by studying the dependence of lattice disorder, monitored by ion channeling, on the passive part of the beam duty cycle. The effective defect diffusion length ismore » revealed by the dependence of damage on the active part of the beam duty cycle. Results show that the defect relaxation behavior obeys a second order kinetic process for all the cases studied, with a time constant in the range of ~4–13 ms and a diffusion length of ~15–50 nm. Both radiation dynamics parameters (the time constant and diffusion length) are essentially independent of the maximum instantaneous dose rate, total ion dose, and dopant concentration within the ranges studied. However, both the time constant and diffusion length increase with increasing ion mass. This demonstrates that the density of collision cascades influences not only defect production and annealing efficiencies but also the defect interaction dynamics.« less

Radiation defect dynamics in Si at room temperature studied by pulsed ion beams

DOE PAGES

Wallace, J. B.; Charnvanichborikarn, S.; Bayu Aji, L. B.; ...

2015-10-06

The evolution of radiation defects after the thermalization of collision cascades often plays the dominant role in the formation of stable radiation disorder in crystalline solids of interest to electronics and nuclear materials applications. Here in this paper, we explore a pulsed-ion-beam method to study defect interaction dynamics in Si crystals bombarded at room temperature with 500 keV Ne, Ar, Kr, and Xe ions. The effective time constant of defect interaction is measured directly by studying the dependence of lattice disorder, monitored by ion channeling, on the passive part of the beam duty cycle. The effective defect diffusion length ismore » revealed by the dependence of damage on the active part of the beam duty cycle. Results show that the defect relaxation behavior obeys a second order kinetic process for all the cases studied, with a time constant in the range of ~4–13 ms and a diffusion length of ~15–50 nm. Both radiation dynamics parameters (the time constant and diffusion length) are essentially independent of the maximum instantaneous dose rate, total ion dose, and dopant concentration within the ranges studied. However, both the time constant and diffusion length increase with increasing ion mass. This demonstrates that the density of collision cascades influences not only defect production and annealing efficiencies but also the defect interaction dynamics.« less

Non-imaging Optics of multi-LED light source for hyperspectral imaging

NASA Astrophysics Data System (ADS)

Islam, Kashif; Gosnell, Martin E.; Ploschner, Martin; Anwer, Ayad G.; Goldys, Ewa M.

2016-12-01

The main objective of our work was to design a light source which should be capable to collect and illuminate light of LEDs at the smaller aperture of cone (9mm) which could be either coupled with secondary optics of a microscope or utilized independently for hyperspectral studies. Optimized performance of cone was assessed for different substrates (diffused glass silica, Alumina, Zerodur glass, acrylic plastic) and coating surfaces (white diffused, flat white paint, standard mirror) using a simulation software. The parameters optimized for truncated cone include slanting length and Top Major R (Larger diameter of cone) which were also varied from 10 to 350 mm and 10 to 80 mm respectively. In order to see affect of LED positions on cone efficiency, the positions of LED were varied from central axis to off-axis. Similarly, interLED distance was varied from 2 mm to 6 mm to reckon its effect on the performance of cone. The optimized Slant length (80 mm) and Top Major R (50 mm) were determined for substrates (glass zerodur or acrylic plastic) and coating surface (standard mirror). The output profile of truncated source was found non uniform, which is a typical presentation of non imaging optics problem. The maximum efficiency of cone has been found for LED at the centre and it was found decreasing as LED moves away from the central axis. Moreover, shorter the interLED distance, better is the performance of cone. The primary optics of cone shaped light source is capable to lit visible and UV LEDs in practical design. The optimum parameters obtained through simulations could be implemented in the fabrication procedure if the reflectance of source would have been maintained upto finish level of a standard mirror.

A Diffusive-Particle Theory of Free Recall

PubMed Central

Fumarola, Francesco

2017-01-01

Diffusive models of free recall have been recently introduced in the memory literature, but their potential remains largely unexplored. In this paper, a diffusive model of short-term verbal memory is considered, in which the psychological state of the subject is encoded as the instantaneous position of a particle diffusing over a semantic graph. The model is particularly suitable for studying the dependence of free-recall observables on the semantic properties of the words to be recalled. Besides predicting some well-known experimental features (forward asymmetry, semantic clustering, word-length effect), a novel prediction is obtained on the relationship between the contiguity effect and the syllabic length of words; shorter words, by way of their wider semantic range, are predicted to be characterized by stronger forward contiguity. A fresh analysis of archival free-recall data allows to confirm this prediction. PMID:29085521

Effective optical path length for tandem diffuse cubic cavities as gas absorption cell

NASA Astrophysics Data System (ADS)

Yu, J.; Gao, Q.; Zhang, Y. G.; Zhang, Z. G.; Wu, S. H.

2014-12-01

Tandem diffuse cubic cavities designed by connecting two single diffuse cubic-shaped cavities, A and B, with an aperture (port fraction fap) in the middle of the connecting baffle was developed as a gas absorption cell. The effective optical path length (EOPL) was evaluated by comparing the oxygen absorption signal in the cavity and in air based on tunable diode laser absorption spectroscopy (TDLAS). Experimental results manifested an enhancement of EOPL for the tandem diffuse cubic cavities as the decrease of fap and can be expressed as the sum of EOPL of two single cubic cavities at fap < 0.01, which coincided well with theoretical analysis. The simulating EOPL was smaller than experimental results at fap > 0.01, which indicated that back scattering light from cavity B to cavity A cannot be ignored at this condition.

Modified energetics and growth kinetics on H-terminated GaAs (110)

NASA Astrophysics Data System (ADS)

Galiana, B.; Benedicto, M.; Díez-Merino, L.; Lorbek, S.; Hlawacek, G.; Teichert, C.; Tejedor, P.

2013-10-01

Atomic hydrogen modification of the surface energy of GaAs (110) epilayers, grown at high temperatures from molecular beams of Ga and As4, has been investigated by friction force microscopy (FFM). The reduction of the friction force observed with longer exposures to the H beam has been correlated with the lowering of the surface energy originated by the progressive de-relaxation of the GaAs (110) surface occurring upon H chemisorption. Our results indicate that the H-terminated GaAs (110) epilayers are more stable than the As-stabilized ones, with the minimum surface energy value of 31 meV/Å2 measured for the fully hydrogenated surface. A significant reduction of the Ga diffusion length on the H-terminated surface irrespective of H coverage has been calculated from the FFM data, consistent with the layer-by-layer growth mode and the greater As incorporation coefficient determined from real-time reflection high-energy electron diffraction studies. Arsenic incorporation through direct dissociative chemisorption of single As4 molecules mediated by H on the GaAs (110) surface has been proposed as the most likely explanation for the changes in surface kinetics observed.

How a Nanodroplet Diffuses on Smooth Surfaces

NASA Astrophysics Data System (ADS)

Li, Chu; Huang, Jizu; Li, Zhigang

2016-11-01

In this study, we investigate how nanodroplets diffuse on smooth surfaces through molecular dynamics (MD) simulations and theoretical analyses. The simulations results show that the surface diffusion of nanodroplet is different from that of single molecules and solid nanoparticles. The dependence of nanodroplet diffusion coefficient on temperature is surface wettability dependent, which undergoes a transition from linear to nonlinear as the surface wettability is weakened due to the coupling of temperature and surface energy. We also develop a simple relation for the diffusion coefficient by using the contact angle and contact radius of the droplet. It works well for different surface wettabilities and sized nanodroplets, as confirmed by MD simulations. This work was supported by the Research Grants Council of the Hong Kong Special Administrative Region under Grant No. 615312.

The effect of realistic forces in finite epitaxial islands: Equilibrium structure, stability limits and substrate-induced dissociation of migrating clusters

NASA Astrophysics Data System (ADS)

Milchev, Andrey; Markov, Ivan

1985-06-01

The behaviour of finite epitaxial islands in the periodic field of the substrate is theoretically investigated. The harmonic interactions, traditionally adopted in the model of Frank and Van der Merwe, are replaced by Toda and Morse potentials and sets of difference recursion equations, governing the equilibrium properties of the system, are derived and solved numerically. It is shown that allowing for anharmonicity in the interactions in the deposit reveals several qualiatively new effects, such as: (1) The existence of substrate-induced rupture of anharmonic clusters which migrate on the substrate. It is predicted that such dissociation should be enhanced, if (a) the energy barrier for surface diffusion is increased, (b) the natural incompatibility between substrate and deposit is decreased, and (c) the size of the clusters grows. (2) A split in the misfit stability limits for pseudomorphism and for spontaneous generation of misfit dislocations with respect to the sign of the misfit. The limits corresponding to negative misfit rapidly increase while the positive misfit limits decrease (in absolute terms) with growing degree of anharmonicity. (3) A marked asymmetry in the magnitude of various properties of the clusters, such as adhesion to the substrate, activation energy for surface diffusion, mean strain, dislocation lengths, etc., with respect to the sign of the mismatch between surface and deposit.

Experimental investigation of the effects of compound angle holes on film cooling effectiveness and heat transfer performance using a transient liquid crystal thermometry technique

NASA Astrophysics Data System (ADS)

Seager, David J.; Liburdy, James A.

1997-11-01

To further understand the effect of both compound angle holes and hole shaping on film cooling, detailed heat transfer measurements were obtained using hue based thermochromic liquid crystal method. The data were analyzed to measure both the full surface adiabatic effectiveness and heat transfer coefficient. The compound angles that were evaluated consist of holes that were aligned 0 degrees, 45 degrees, 60 degrees and 90 degrees to the main cross flow direction. Hole shaping variations from the traditional cylindrical shaped hole include forward diffused and laterally diffused hole geometries. Geometric parameters that were selected were the length to diameter ratio of 3.0, and the inclination angle 35 degrees. A density ratio of 1.55 was obtained for all teste. For each set of conditions the blowing ratio was varied to be 0.88, 1.25, and 1.88. Adiabatic effectiveness was obtained using a steady state test, while an active heating surface was used to determine the heat transfer coefficient using a transient method. The experimental method provides a unique method of analyzing a three-temperature heat transfer problem by providing detailed surface transport properties. Based on these results for the different hole geometries at each blowing ratio conclusions are drawn relative to the effects of compound angle holes on the overall film cooling performance.

Structure and phase transitions of monolayers of intermediate-length n-alkanes on graphite studied by neutron diffraction and molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Diama, A.; Matthies, B.; Herwig, K. W.; Hansen, F. Y.; Criswell, L.; Mo, H.; Bai, M.; Taub, H.

2009-08-01

We present evidence from neutron diffraction measurements and molecular dynamics (MD) simulations of three different monolayer phases of the intermediate-length alkanes tetracosane (n-C24H50 denoted as C24) and dotriacontane (n-C32H66 denoted as C32) adsorbed on a graphite basal-plane surface. Our measurements indicate that the two monolayer films differ principally in the transition temperatures between phases. At the lowest temperatures, both C24 and C32 form a crystalline monolayer phase with a rectangular-centered (RC) structure. The two sublattices of the RC structure each consists of parallel rows of molecules in their all-trans conformation aligned with their long axis parallel to the surface and forming so-called lamellas of width approximately equal to the all-trans length of the molecule. The RC structure is uniaxially commensurate with the graphite surface in its [110] direction such that the distance between molecular rows in a lamella is 4.26 Å=√3 ag, where ag=2.46 Å is the lattice constant of the graphite basal plane. Molecules in adjacent rows of a lamella alternate in orientation between the carbon skeletal plane being parallel and perpendicular to the graphite surface. Upon heating, the crystalline monolayers transform to a "smectic" phase in which the inter-row spacing within a lamella expands by ˜10% and the molecules are predominantly oriented with the carbon skeletal plane parallel to the graphite surface. In the smectic phase, the MD simulations show evidence of broadening of the lamella boundaries as a result of molecules diffusing parallel to their long axis. At still higher temperatures, they indicate that the introduction of gauche defects into the alkane chains drives a melting transition to a monolayer fluid phase as reported previously.

Structure and phase transitions of monolayers of intermediate-length n-alkanes on graphite studied by neutron diffraction and molecular dynamics simulation.

PubMed

Diama, A; Matthies, B; Herwig, K W; Hansen, F Y; Criswell, L; Mo, H; Bai, M; Taub, H

2009-08-28

We present evidence from neutron diffraction measurements and molecular dynamics (MD) simulations of three different monolayer phases of the intermediate-length alkanes tetracosane (n-C(24)H(50) denoted as C24) and dotriacontane (n-C(32)H(66) denoted as C32) adsorbed on a graphite basal-plane surface. Our measurements indicate that the two monolayer films differ principally in the transition temperatures between phases. At the lowest temperatures, both C24 and C32 form a crystalline monolayer phase with a rectangular-centered (RC) structure. The two sublattices of the RC structure each consists of parallel rows of molecules in their all-trans conformation aligned with their long axis parallel to the surface and forming so-called lamellas of width approximately equal to the all-trans length of the molecule. The RC structure is uniaxially commensurate with the graphite surface in its [110] direction such that the distance between molecular rows in a lamella is 4.26 A=sqrt[3a(g)], where a(g)=2.46 A is the lattice constant of the graphite basal plane. Molecules in adjacent rows of a lamella alternate in orientation between the carbon skeletal plane being parallel and perpendicular to the graphite surface. Upon heating, the crystalline monolayers transform to a "smectic" phase in which the inter-row spacing within a lamella expands by approximately 10% and the molecules are predominantly oriented with the carbon skeletal plane parallel to the graphite surface. In the smectic phase, the MD simulations show evidence of broadening of the lamella boundaries as a result of molecules diffusing parallel to their long axis. At still higher temperatures, they indicate that the introduction of gauche defects into the alkane chains drives a melting transition to a monolayer fluid phase as reported previously.

Dynamics of an Unsteady Diffusion Flame: Effects of Heat Release and Gravity

DTIC Science & Technology

1990-09-27

UNSTEADY DIFFUSION FLAME: EFFECTS OF HEAT RELEASE AND GRAVITY INTRODUCTION Experiments on laminar diffusion flames have shown that gravity affects the flame ... length and width as well as its extinction characteristics (1-4). These studies have been conducted in drop towers and have focused on fuel jets with

Derivation of effective fission gas diffusivities in UO2 from lower length scale simulations and implementation of fission gas diffusion models in BISON

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andersson, Anders David Ragnar; Pastore, Giovanni; Liu, Xiang-Yang

2014-11-07

This report summarizes the development of new fission gas diffusion models from lower length scale simulations and assessment of these models in terms of annealing experiments and fission gas release simulations using the BISON fuel performance code. Based on the mechanisms established from density functional theory (DFT) and empirical potential calculations, continuum models for diffusion of xenon (Xe) in UO 2 were derived for both intrinsic conditions and under irradiation. The importance of the large X eU3O cluster (a Xe atom in a uranium + oxygen vacancy trap site with two bound uranium vacancies) is emphasized, which is a consequencemore » of its high mobility and stability. These models were implemented in the MARMOT phase field code, which is used to calculate effective Xe diffusivities for various irradiation conditions. The effective diffusivities were used in BISON to calculate fission gas release for a number of test cases. The results are assessed against experimental data and future directions for research are outlined based on the conclusions.« less

Diffusion lengths in irradiated N/P InP-on-Si solar cells

NASA Technical Reports Server (NTRS)

Wojtczuk, Steven; Colerico, Claudia; Summers, Geoffrey P.; Walters, Robert J.; Burke, Edward A.

1996-01-01

Indium phosphide (InP) solar cells were made on silicon (Si) wafers (InP/Si) by to take advantage of both the radiation-hardness properties of the InP solar cell and the light weight and low cost of Si wafers. The InP/Si cell application is for long duration and/or high radiation orbit space missions. Spire has made N/P InP/Si cells of sizes up to 2 cm by 4 cm with beginning-of-life (BOL) AM0 efficiencies over 13% (one-sun, 28C). These InP/Si cells have higher absolute efficiency and power density after a high radiation dose than gallium arsenide (GaAs) or silicon (Si) solar cells after a fluence of about 2e15 1 MeV electrons/sq. cm. In this work, we investigate the minority carrier (electron) base diffusion lengths in the N/P InP/Si cells. A quantum efficiency model was constructed for a 12% BOL AM0 N/P InP/Si cell which agreed well with the absolutely measured quantum efficiency and the sun-simulator measured AM0 photocurrent (30.1 mA/sq. cm). This model was then used to generate a table of AM0 photocurrents for a range of base diffusion lengths. AM0 photocurrents were then measured for irradiations up to 7.7e16 1 MeV electrons/sq. cm (the 12% BOL cell was 8% after the final irradiation). By comparing the measured photocurrents with the predicted photocurrents, base diffusion lengths were assigned at each fluence level. A damage coefficient K of 4e-8 and a starting (unirradiated) base electron diffusion length of 0.8 microns fits the data well. The quantum efficiency was measured again at the end of the experiment to verify that the photocurrent predicted by the model (25.5 mA/sq. cm) agreed with the simulator-measured photocurrent after irradiation (25.7 mA/sq. cm).

Leapfrog Diffusion Mechanism for One-Dimensional Chains on Missing-Row Reconstructed Surfaces

NASA Astrophysics Data System (ADS)

Montalenti, F.; Ferrando, R.

1999-02-01

We analyze the in-channel diffusion of dimers and longer n-adatom chains on Au and Pt (110) \\(1×2\\) surfaces by molecular dynamics simulations. From our calculations it arises that, on the missing-row reconstructed surface, a novel diffusion process, called leapfrog, dominates over concerted jumps, thus becoming the most frequent diffusion mechanism.

Tracer counterpermeation analysis of diffusivity in finite-length nanopores with and without single-file dynamics

DOE PAGES

Ackerman, David M.; Evans, James W.

2017-01-19

Here, we perform a tracer counterpermeation (TCP) analysis for a stochastic model of diffusive transport through a narrow linear pore where passing of species within the pore is inhibited or even excluded (single-file diffusion). TCP involves differently labeled but otherwise identical particles from two decoupled infinite reservoirs adsorbing into opposite ends of the pore, and desorbing from either end. In addition to transient behavior, we assess steady-state concentration profiles, spatial correlations, particle number fluctuations, and diffusion fluxes through the pore. From the profiles and fluxes, we determine a generalized tracer diffusion coefficient D tr(x), at various positions x within themore » pore. D tr(x) has a plateau value in the pore center scaling inversely with the pore length, but it is enhanced near the pore openings. The latter feature reflects the effect of fluctuations in adsorption and desorption, and it is also associated with a nontrivial scaling of the concentration profiles near the pore openings.« less

Tracer counterpermeation analysis of diffusivity in finite-length nanopores with and without single-file dynamics

NASA Astrophysics Data System (ADS)

Ackerman, David M.; Evans, James W.

2017-01-01

We perform a tracer counterpermeation (TCP) analysis for a stochastic model of diffusive transport through a narrow linear pore where passing of species within the pore is inhibited or even excluded (single-file diffusion). TCP involves differently labeled but otherwise identical particles from two decoupled infinite reservoirs adsorbing into opposite ends of the pore, and desorbing from either end. In addition to transient behavior, we assess steady-state concentration profiles, spatial correlations, particle number fluctuations, and diffusion fluxes through the pore. From the profiles and fluxes, we determine a generalized tracer diffusion coefficient Dtr(x ) , at various positions x within the pore. Dtr(x ) has a plateau value in the pore center scaling inversely with the pore length, but it is enhanced near the pore openings. The latter feature reflects the effect of fluctuations in adsorption and desorption, and it is also associated with a nontrivial scaling of the concentration profiles near the pore openings.

Spin injection and transport in semiconductor and metal nanostructures

NASA Astrophysics Data System (ADS)

Zhu, Lei

In this thesis we investigate spin injection and transport in semiconductor and metal nanostructures. To overcome the limitation imposed by the low efficiency of spin injection and extraction and strict requirements for retention of spin polarization within the semiconductor, novel device structures with additional logic functionality and optimized device performance have been developed. Weak localization/antilocalization measurements and analysis are used to assess the influence of surface treatments on elastic, inelastic and spin-orbit scatterings during the electron transport within the two-dimensional electron layer at the InAs surface. Furthermore, we have used spin-valve and scanned probe microscopy measurements to investigate the influence of sulfur-based surface treatments and electrically insulating barrier layers on spin injection into, and spin transport within, the two-dimensional electron layer at the surface of p-type InAs. We also demonstrate and analyze a three-terminal, all-electrical spintronic switching device, combining charge current cancellation by appropriate device biasing and ballistic electron transport. The device yields a robust, electrically amplified spin-dependent current signal despite modest efficiency in electrical injection of spin-polarized electrons. Detailed analyses provide insight into the advantages of ballistic, as opposed to diffusive, transport in device operation, as well as scalability to smaller dimensions, and allow us to eliminate the possibility of phenomena unrelated to spin transport contributing to the observed device functionality. The influence of the device geometry on magnetoresistance of nanoscale spin-valve structures is also demonstrated and discussed. Shortcomings of the simplified one-dimensional spin diffusion model for spin valve are elucidated, with comparison of the thickness and the spin diffusion length in the nonmagnetic channel as the criterion for validity of the 1D model. Our work contributes directly to the realization of spin valve and spin transistor devices based on III-V semiconductors, and offers new opportunities to engineer the behavior of spintronic devices at the nanoscale.

Rubber friction: role of the flash temperature

NASA Astrophysics Data System (ADS)

Persson, B. N. J.

2006-08-01

When a rubber block is sliding on a hard rough substrate, the substrate asperities will exert time-dependent deformations of the rubber surface resulting in viscoelastic energy dissipation in the rubber, which gives a contribution to the sliding friction. Most surfaces of solids have roughness on many different length scales, and when calculating the friction force it is necessary to include the viscoelastic deformations on all length scales. The energy dissipation will result in local heating of the rubber. Since the viscoelastic properties of rubber-like materials are extremely strongly temperature dependent, it is necessary to include the local temperature increase in the analysis. At very low sliding velocity the temperature increase is negligible because of heat diffusion, but already for velocities of order 10-2 m s-1 the local heating may be very important. Here I study the influence of the local heating on the rubber friction, and I show that in a typical case the temperature increase results in a decrease in rubber friction with increasing sliding velocity for v>0.01 m s-1. This may result in stick-slip instabilities, and is of crucial importance in many practical applications, e.g. for tyre-road friction and in particular for ABS braking systems.

Effect of boattail geometry on the acoustics of parallel baffles in ducts

NASA Technical Reports Server (NTRS)

Soderman, P. T.; Unnever, G.; Dudley, M. R.

1984-01-01

Sound attenuation and total pressure drop of parallel duct baffles incorporating certain boattail geometries were measured in the NASA Ames Research Center 7- by 10-Foot Wind Tunnel. The baseline baffles were 1.56 m long and 20 cm thick, on 45-cm center-to-center spacings, and spanned the test section from floor to ceiling. Four different boattails were evaluated: a short, smooth (nonacoustic) boattail; a longer, smooth boattail; and two boattails with perforated surfaces and sound-absorbent filler. Acoustic measurements showed the acoustic boattails improved the sound attenuation of the baffles at approximately half the rate to be expected from constant-thickness sections of the same length; that is, 1.5 dB/n, where n is the ratio of acoustic treatment length to duct passage width between baffles. The aerodynamic total pressure loss was somewhat sensitive to tail geometry. Lengthening the tails to reduce the diffusion half-angle from 11 to 5 degrees reduced the total pressure loss approximately 9%. Perforating the boattails, which increased the surface roughness, did not have a large effect on the total pressure loss. Aerodynamic results are compared with a published empirical method for predicting baffle total pressure drop.

Machine learning of single molecule free energy surfaces and the impact of chemistry and environment upon structure and dynamics

NASA Astrophysics Data System (ADS)

Mansbach, Rachael A.; Ferguson, Andrew L.

2015-03-01

The conformational states explored by polymers and proteins can be controlled by environmental conditions (e.g., temperature, pressure, and solvent) and molecular chemistry (e.g., molecular weight and side chain identity). We introduce an approach employing the diffusion map nonlinear machine learning technique to recover single molecule free energy landscapes from molecular simulations, quantify changes to the landscape as a function of external conditions and molecular chemistry, and relate these changes to modifications of molecular structure and dynamics. In an application to an n-eicosane chain, we quantify the thermally accessible chain configurations as a function of temperature and solvent conditions. In an application to a family of polyglutamate-derivative homopeptides, we quantify helical stability as a function of side chain length, resolve the critical side chain length for the helix-coil transition, and expose the molecular mechanisms underpinning side chain-mediated helix stability. By quantifying single molecule responses through perturbations to the underlying free energy surface, our approach provides a quantitative bridge between experimentally controllable variables and microscopic molecular behavior, guiding and informing rational engineering of desirable molecular structure and function.

Machine learning of single molecule free energy surfaces and the impact of chemistry and environment upon structure and dynamics.

PubMed

Mansbach, Rachael A; Ferguson, Andrew L

2015-03-14

The conformational states explored by polymers and proteins can be controlled by environmental conditions (e.g., temperature, pressure, and solvent) and molecular chemistry (e.g., molecular weight and side chain identity). We introduce an approach employing the diffusion map nonlinear machine learning technique to recover single molecule free energy landscapes from molecular simulations, quantify changes to the landscape as a function of external conditions and molecular chemistry, and relate these changes to modifications of molecular structure and dynamics. In an application to an n-eicosane chain, we quantify the thermally accessible chain configurations as a function of temperature and solvent conditions. In an application to a family of polyglutamate-derivative homopeptides, we quantify helical stability as a function of side chain length, resolve the critical side chain length for the helix-coil transition, and expose the molecular mechanisms underpinning side chain-mediated helix stability. By quantifying single molecule responses through perturbations to the underlying free energy surface, our approach provides a quantitative bridge between experimentally controllable variables and microscopic molecular behavior, guiding and informing rational engineering of desirable molecular structure and function.

A new scaling for the rotational diffusion of molecular probes in polymer solutions.

PubMed

Qing, Jing; Chen, Anpu; Zhao, Nanrong

2017-12-13

In the present work, we propose a new scaling form for the rotational diffusion coefficient of molecular probes in semi-dilute polymer solutions, based on a theoretical study. The mean-field theory for depletion effect and semi-empirical scaling equation for the macroscopic viscosity of polymer solutions are properly incorporated to specify the space-dependent concentration and viscosity profiles in the vicinity of the probe surface. Following the scheme of classical fluid mechanics, we numerically evaluate the shear torque exerted on the probes, which then allows us to further calculate the rotational diffusion coefficient D r . Particular attention is given to the scaling behavior of the retardation factor R rot ≡ D/D r with D being the diffusion coefficient in pure solvent. We find that R rot has little relevance to the macroscopic viscosity of the polymer solution, while it can be well featured by the characteristic length scale r h /δ, i.e. the ratio between the hydrodynamic radius of the probe r h and the depletion thickness δ. Correspondingly, we obtain a novel scaling form for the rotational retardation factor, following R rot = exp[a(r h /δ) b ] with rather robust parameters of a ≃ 0.51 and b ≃ 0.56. We apply the theory to an extensive calculation for various probes in specific polymer solutions of poly(ethylene glycol) (PEG) and dextran. Our theoretical results show good agreements with the experimental data, and clearly demonstrate the validity of the new scaling form. In addition, the difference of the scaling behavior between translational and rotational diffusions is clarified, from which we conclude that the depletion effect plays a more significant role on the local rotational diffusion rather than the long-range translation diffusion.

Distributed modeling of diffusive solute transport in peritoneal dialysis.

PubMed

Waniewski, Jacek

2002-01-01

The diffusive transport between blood and an ex-tissue medium (dialysis fluid) is evaluated using a mathematical model that takes into account the (quasicontinuous) distribution of capillaries within the tissue at various distances from the tissue surface, and includes diffusive-convective transport through the capillary wall and lymphatic absorption from the tissue. General formulas for solute penetration depth, lambda, and for the diffusive mass transport coefficient for the transport between blood and dialysis fluid, K(BD), are provided in terms of local transport coefficients for capillary wall, tissue, and lymphatic absorption. For pure diffusive transport between blood and dialysis fluid and thick tissue layers (i.e., if the solute penetration depth is much lower than the tissue thickness) these formulas yield previously known expressions. It is shown that apparent tissue layers, with widths lambdaTBL and lambdaT, respectively, may be defined according to the values of local transport parameters in such a way that K(BD) is equal to the solute clearance K(TBL) from the tissue by blood and lymph for a layer with width lambdaTBL or to the solute clearance K(T) from blood to dialysate by diffusion through the tissue layer with width lambdaT. For tissue layers with width much higher than the penetration depth: lambdaT approximately = lambdaTBL approximately = lambda. These characteristic width lengths depend on the transport parameters (and thus on the size) of solutes. Effective blood flow, which may be related to the exchange of the solute between blood and dialysate, is defined using an analogy to the extraction/absorption coefficients for blood-tissue exchange. Various approximations for the distributed model formula for diffusive mass transport coefficient (K(BD)) are possible. The appropriate range for their application is obtained from the general formula.

Enhanced diffusion on oscillating surfaces through synchronization

NASA Astrophysics Data System (ADS)

Wang, Jin; Cao, Wei; Ma, Ming; Zheng, Quanshui

2018-02-01

The diffusion of molecules and clusters under nanoscale confinement or absorbed on surfaces is the key controlling factor in dynamical processes such as transport, chemical reaction, or filtration. Enhancing diffusion could benefit these processes by increasing their transport efficiency. Using a nonlinear Langevin equation with an extensive number of simulations, we find a large enhancement in diffusion through surface oscillation. For helium confined in a narrow carbon nanotube, the diffusion enhancement is estimated to be over three orders of magnitude. A synchronization mechanism between the kinetics of the particles and the oscillating surface is revealed. Interestingly, a highly nonlinear negative correlation between diffusion coefficient and temperature is predicted based on this mechanism, and further validated by simulations. Our results provide a general and efficient method for enhancing diffusion, especially at low temperatures.

Room temperature spin diffusion in (110) GaAs/AlGaAs quantum wells

PubMed Central

2011-01-01

Transient spin grating experiments are used to investigate the electron spin diffusion in intrinsic (110) GaAs/AlGaAs multiple quantum well at room temperature. The measured spin diffusion length of optically excited electrons is about 4 μm at low spin density. Increasing the carrier density yields both a decrease of the spin relaxation time and the spin diffusion coefficient Ds. PMID:21711662

Strong Surface Diffusion Mediated Glancing-Angle Deposition: Growth, Recrystallization and Reorientation of Tin Nanorods

NASA Astrophysics Data System (ADS)

Wang, Huan-Hua; Shi, Yi-Jian; William, Chu; Yigal, Blum

2008-01-01

Different from usual glancing-angle deposition where low surface diffusion is necessary to form nanorods, strong surface diffusion mediated glancing-angle deposition is exemplified by growing tin nanorod films on both silicon and glass substrates simultaneously via thermal evaporation. During growth, the nanorods were simultaneously baked by the high-temperature evaporator, and therefore re-crystallized into single crystals in consequence of strong surface diffusion. The monocrystalline tin nanorods have a preferred orientation perpendicular to the substrate surface, which is quite different from the usual uniformly oblique nanorods without recrystallization.

3He Lung Morphometry Technique: Accuracy Analysis and Pulse Sequence Optimization

PubMed Central

Sukstanskii, A.L.; Conradi, M.S.; Yablonskiy, D.A.

2010-01-01

The 3He lung morphometry technique (Yablonskiy et al, JAP, 2009), based on MRI measurements of hyperpolarized gas diffusion in lung airspaces, provides unique information on the lung microstructure at the alveolar level. 3D tomographic images of standard morphological parameters (mean airspace chord length, lung parenchyma surface-to-volume ratio, and the number of alveoli per unit lung volume) can be created from a rather short (several seconds) MRI scan. These parameters are most commonly used to characterize lung morphometry but were not previously available from in vivo studies. A background of the 3He lung morphometry technique is based on a previously proposed model of lung acinar airways, treated as cylindrical passages of external radius R covered by alveolar sleeves of depth h, and on a theory of gas diffusion in these airways. The initial works approximated the acinar airways as very long cylinders, all with the same R and h. The present work aims at analyzing effects of realistic acinar airway structures, incorporating airway branching, physiological airway lengths, a physiological ratio of airway ducts and sacs, and distributions of R and h. By means of Monte Carlo computer simulations, we demonstrate that our technique allows rather accurate measurements of geometrical and morphological parameters of acinar airways. In particular, the accuracy of determining one of the most important physiological parameter of acinar airways – surface-to-volume ratio – does not exceed several percent. Second, we analyze the effect of the susceptibility induced inhomogeneous magnetic field on the parameter estimate and demonstrate that this effect is rather negligible at B0 ≤ 3T and becomes substantial only at higher B0 Third, we theoretically derive an optimal choice of MR pulse sequence parameters, which should be used to acquire a series of diffusion attenuated MR signals, allowing a substantial decrease in the acquisition time and improvement in accuracy of the results. It is demonstrated that the optimal choice represents three not equidistant b-values: b1 = 0, b2 ~ 2 s/cm2, b3 ~ 8 s/cm2. PMID:20937564

Microscopic diffusion processes measured in living planarians

DOE PAGES

Mamontov, Eugene

2018-03-08

Living planarian flatworms were probed using quasielastic neutron scattering to measure, on the pico-to-nanosecond time scale and nanometer length scale, microscopic diffusion of water and cell constituents in the planarians. Measurable microscopic diffusivities were surprisingly well defined in such a complex system as living animals. The overall variation in the microscopic diffusivity of cell constituents was found to be far lower than the variation in the microscopic diffusivity of water in planarians in a temperature range of 284.5 to 304.1K.

DIFF--A 7090 Fortran Program to Determine Neutron Diffusion Constants Relating to a Six-Group Calculation; DIFF--UN PROGRAMME FOR TRAN 7090 POUR DETERMINER LES CONSTANTES DE DIFFUSION NEUTRONIQUE RELATIVES A UN CALCUL A SIX GROUPES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Plelnevaux, C.

The computer program DIFF, in Fortran for the IBM 7090, for calculating the neutron diffusion coefficients and attenuation areas (L/sup 2/) necessary for multigroup diffusion calculations for reactor shielding is described. Diffusion coefficients and values of the inverse attenuation length are given for a six group calculation for several interesting shielding materials. (D.C.W.)

Microscopic diffusion processes measured in living planarians

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mamontov, Eugene

Living planarian flatworms were probed using quasielastic neutron scattering to measure, on the pico-to-nanosecond time scale and nanometer length scale, microscopic diffusion of water and cell constituents in the planarians. Measurable microscopic diffusivities were surprisingly well defined in such a complex system as living animals. The overall variation in the microscopic diffusivity of cell constituents was found to be far lower than the variation in the microscopic diffusivity of water in planarians in a temperature range of 284.5 to 304.1K.

Steric effects on diffusion into bituminous coals

DOE Office of Scientific and Technical Information (OSTI.GOV)

John W. Larsen; Doyoung Lee

2006-02-01

The reactions of maleic anhydride, cis-maleate esters, and acetylenedicarboxylate esters with Pittsburgh No. 8 or Illinois No. 6 coal using o-xylene or o-dichlorobenzene solvent are diffusion controlled. Diffusion is Fickian in all cases. The measured activation energies are between 5.4 and 7.6 kcal/mol. Diffusion rates decrease slowly with increasing alkyl chain length and sharply with branching. Diffusion rates are slightly faster with o-xylene than when o-dichlorobenzene is used. 40 refs., 5 figs., 4 tabs.

Combined measurement of surface, grain boundary and lattice diffusion coefficients on olivine bi-crystals

NASA Astrophysics Data System (ADS)

Marquardt, Katharina; Dohmen, Ralf; Wagner, Johannes

2014-05-01

Diffusion along interface and grain boundaries provides an efficient pathway and may control chemical transport in rocks as well as their mechanical strength. Besides the significant relevance of these diffusion processes for various geologic processes, experimental data are still very limited (e.g., Dohmen & Milke, 2010). Most of these data were measured using polycrystalline materials and the formalism of LeClaire (1951) to fit integrated concentration depth profiles. To correctly apply this formalism, certain boundary conditions of the diffusion problem need to be fulfilled, e.g., surface diffusion is ignored, and furthermore the lattice diffusion coefficient has to be known from other studies or is an additional fitting parameter, which produces some ambiguity in the derived grain boundary diffusion coefficients. We developed an experimental setup where we can measure the lattice and grain boundary diffusion coefficients simultaneously but independent and demonstrate the relevance of surface diffusion for typical grain boundary diffusion experiments. We performed Mg2SiO4 bicrystal diffusion experiments, where a single grain boundary is covered by a thin-film of pure Ni2SiO4 acting as diffusant source, produced by pulsed laser deposition. The investigated grain boundary is a 60° (011)/[100]. This specific grain boundary configuration was modeled using molecular dynamics for comparison with the experimental observations in the transmission electron microscope (TEM). Both, experiment and model are in good agreement regarding the misorientation, whereas there are still some disagreements regarding the strain fields along the grain boundary that are of outmost importance for the strengths of the material. The subsequent diffusion experiments were carried out in the temperature range between 800° and 1450° C. The inter diffusion profiles were measured using the TEMs energy dispersive x-ray spectrometer standardized using the Cliff-Lorimer equation and EMPA measurements. To evaluate the obtained diffusion profiles we adapted the isolated grain boundary model, first proposed by Fisher (1951) to match several observations: (i) Anisotropic diffusion in forsterite, (ii) fast diffusion along the grain boundary, (iii) fast diffusion on the surface of the sample. The latter process is needed to explain an additional flux of material from the surface into the grain boundary. Surface and grain boundary diffusion coefficients are on the order of 10000 times faster than diffusion in the lattice. Another observation was that in some regions the diffusion profiles in the lattice were greatly extended. TEM observations suggest here that surface defects (nano-cracks, ect.) have been present, which apparently enhanced the diffusion through the bulk lattice. Dohmen, R., & Milke, R. (2010). Diffusion in Polycrystalline Materials: Grain Boundaries, Mathematical Models, and Experimental Data. Reviews in Mineralogy and Geochemistry, 72(1), 921-970. Fisher, J. C. (1951). Calculations of Diffusion Penetration Curves for Surface and Grain Boundary Diffusion. Journal of Applied Physics, 22(1), 74-77. Le Claire, A. D. (1951). Grain boundary diffusion in metals. Philosophical Magazine A, 42(328), 468-474.

Surface roughness analysis of SiO2 for PECVD, PVD and IBD on different substrates

NASA Astrophysics Data System (ADS)

Amirzada, Muhammad Rizwan; Tatzel, Andreas; Viereck, Volker; Hillmer, Hartmut

2016-02-01

This study compares surface roughness of SiO2 thin layers which are deposited by three different processes (plasma-enhanced chemical vapor deposition, physical vapor deposition and ion beam deposition) on three different substrates (glass, Si and polyethylene naphthalate). Plasma-enhanced chemical vapor deposition (PECVD) processes using a wide range of deposition temperatures from 80 to 300 °C have been applied and compared. It was observed that the nature of the substrate does not influence the surface roughness of the grown layers very much. It is also perceived that the value of the surface roughness keeps on increasing as the deposition temperature of the PECVD process increases. This is due to the increase in the surface diffusion length with the rise in substrate temperature. The layers which have been deposited on Si wafer by ion beam deposition (IBD) process are found to be smoother as compared to the other two techniques. The layers which have been deposited on the glass substrates using PECVD reveal the highest surface roughness values in comparison with the other substrate materials and techniques. Different existing models describing the dynamics of clusters on surfaces are compared and discussed.

Spin-orbit torque in a thin film of the topological insulator Bi2Se3: Crossover from the ballistic to diffusive regime

NASA Astrophysics Data System (ADS)

Ren, Y. J.; Deng, W. Y.; Geng, H.; Shen, R.; Shao, L. B.; Sheng, L.; Xing, D. Y.

2017-12-01

The spin-orbit torque provides an efficient method for switching the direction of a magnetization by using an electric field. Owing to the spin-orbit coupling, when an electric field is applied, a nonequilibrium spin density is generated, which exerts a torque on the local magnetization. Here, we investigate the spin-orbit torque in a thin film of topological insulator \\text{Bi}2\\text{Se}3 based upon a Boltzmann equation, with proper boundary conditions, which is applicable from the ballistic regime to the diffusive regime. It is shown that due to the spin-momentum interlocking of the electron surface states, the magnitude of the field-like torque is simply in linear proportion to the longitudinal electrical current. For a fixed electric field, the spin-orbit torque is proportional to the sample length in the ballistic limit, and saturates to a constant in the diffusive limit. The dependence of the torque on the magnetization direction and exchange coupling strength is also studied. Our theory may offer useful guidance for experimental investigations of the spin-orbit torque in finite-size systems.

Electron Transport in Quasi-Two-Dimensional Porous Network of Titania Nanoparticles, Incorporating Electrical and Optical Advantages in Dye-Sensitized Solar Cells.

PubMed

Javadi, Mohammad; Alizadeh, Saba; Khosravi, Yusef; Abdi, Yaser

2016-11-04

The integration of fast electron transport and large effective surface area is critical to attaining higher gains in the nanostructured photovoltaic devices. Here, we report facilitated electron transport in the quasi-two-dimensional (Q2D) porous TiO 2 . Liquid electrolyte dye-sensitized solar cells were prepared by utilizing photoanodes based on the Q2D porous substructures. Due to electron confinement in a microscale porous medium, directional diffusion toward collecting electrode is induced into the electron transport. Our measurements based on the photocurrent and photovoltage time-of-flight transients show that at higher Fermi levels, the electron diffusion coefficient in the Q2D porous TiO 2 is about one order of magnitude higher when compared with the conventional layer of porous TiO 2 . The results show that microstructuring of the porous TiO 2 leads to an approximately threefold improvement in the electron diffusion length. Such a modification may considerably affects the electrical functionality of moderate or low performance dye-sensitized solar cells for which the internal gain or collection efficiency is typically low. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Emergence of an optimal search strategy from a simple random walk

PubMed Central

Sakiyama, Tomoko; Gunji, Yukio-Pegio

2013-01-01

In reports addressing animal foraging strategies, it has been stated that Lévy-like algorithms represent an optimal search strategy in an unknown environment, because of their super-diffusion properties and power-law-distributed step lengths. Here, starting with a simple random walk algorithm, which offers the agent a randomly determined direction at each time step with a fixed move length, we investigated how flexible exploration is achieved if an agent alters its randomly determined next step forward and the rule that controls its random movement based on its own directional moving experiences. We showed that our algorithm led to an effective food-searching performance compared with a simple random walk algorithm and exhibited super-diffusion properties, despite the uniform step lengths. Moreover, our algorithm exhibited a power-law distribution independent of uniform step lengths. PMID:23804445

Emergence of an optimal search strategy from a simple random walk.

PubMed

Sakiyama, Tomoko; Gunji, Yukio-Pegio

2013-09-06

In reports addressing animal foraging strategies, it has been stated that Lévy-like algorithms represent an optimal search strategy in an unknown environment, because of their super-diffusion properties and power-law-distributed step lengths. Here, starting with a simple random walk algorithm, which offers the agent a randomly determined direction at each time step with a fixed move length, we investigated how flexible exploration is achieved if an agent alters its randomly determined next step forward and the rule that controls its random movement based on its own directional moving experiences. We showed that our algorithm led to an effective food-searching performance compared with a simple random walk algorithm and exhibited super-diffusion properties, despite the uniform step lengths. Moreover, our algorithm exhibited a power-law distribution independent of uniform step lengths.

Mesoporous nanocrystalline film architecture for capacitive storage devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dunn, Bruce S.; Tolbert, Sarah H.; Wang, John

A mesoporous, nanocrystalline, metal oxide construct particularly suited for capacitive energy storage that has an architecture with short diffusion path lengths and large surface areas and a method for production are provided. Energy density is substantially increased without compromising the capacitive charge storage kinetics and electrode demonstrates long term cycling stability. Charge storage devices with electrodes using the construct can use three different charge storage mechanisms immersed in an electrolyte: (1) cations can be stored in a thin double layer at the electrode/electrolyte interface (non-faradaic mechanism); (2) cations can interact with the bulk of an electroactive material which then undergoesmore » a redox reaction or phase change, as in conventional batteries (faradaic mechanism); or (3) cations can electrochemically adsorb onto the surface of a material through charge transfer processes (faradaic mechanism).« less

Surface and allied studies in silicon solar cells

NASA Technical Reports Server (NTRS)

Lindholm, F. A.

1984-01-01

Significant improvements were made in the short-circuit current-decay method of measuring the recombination lifetime tau and the back surface recombination velocity S of the quasineutral base of silicon solar cells. The improvements include a circuit implementation that increases the speed of switching from the forward-voltage to the short-circuit conditions. They also include a supplementation of this method by some newly developed techniques employing small-signal admittance as a function of frequency omega. This supplementation is highly effective for determining tau for cases in which the diffusion length L greatly exceeds the base thickness W. Representative results on different solar cells are reported. Some advances made in the understanding of passivation provided by the polysilicon/silicon heterojunction are outlined. Recent measurements demonstrate that S 10,000 cm/s derive from this method of passivation.

Early Onset of Kinetic Roughening due to a Finite Step Width in Hematin Crystallization

NASA Astrophysics Data System (ADS)

Olafson, Katy N.; Rimer, Jeffrey D.; Vekilov, Peter G.

2017-11-01

The structure of the interface of a growing crystal with its nutrient phase largely determines the growth dynamics. We demonstrate that hematin crystals, crucial for the survival of malaria parasites, transition from faceted to rough growth interfaces at increasing thermodynamic supersaturation Δ μ . Contrary to theoretical predictions and previous observations, this transition occurs at moderate values of Δ μ . Moreover, surface roughness varies nonmonotonically with Δ μ , and the rate constant for rough growth is slower than that resulting from nucleation and spreading of layers. We attribute these unexpected behaviors to the dynamics of step growth dominated by surface diffusion and the loss of identity of nuclei separated by less than the step width w . We put forth a general criterion for the onset of kinetic roughening using w as a critical length scale.

Electrochemical Ionization and Analyte Charging in the Array of Micromachined UltraSonic Electrospray (AMUSE) Ion Source

PubMed Central

Forbes, Thomas P.; Degertekin, F. Levent; Fedorov, Andrei G.

2010-01-01

Electrochemistry and ion transport in a planar array of mechanically-driven, droplet-based ion sources are investigated using an approximate time scale analysis and in-depth computational simulations. The ion source is modeled as a controlled-current electrolytic cell, in which the piezoelectric transducer electrode, which mechanically drives the charged droplet generation using ultrasonic atomization, also acts as the oxidizing/corroding anode (positive mode). The interplay between advective and diffusive ion transport of electrochemically generated ions is analyzed as a function of the transducer duty cycle and electrode location. A time scale analysis of the relative importance of advective vs. diffusive ion transport provides valuable insight into optimality, from the ionization prospective, of alternative design and operation modes of the ion source operation. A computational model based on the solution of time-averaged, quasi-steady advection-diffusion equations for electroactive species transport is used to substantiate the conclusions of the time scale analysis. The results show that electrochemical ion generation at the piezoelectric transducer electrodes located at the back-side of the ion source reservoir results in poor ionization efficiency due to insufficient time for the charged analyte to diffuse away from the electrode surface to the ejection location, especially at near 100% duty cycle operation. Reducing the duty cycle of droplet/analyte ejection increases the analyte residence time and, in turn, improves ionization efficiency, but at an expense of the reduced device throughput. For applications where this is undesirable, i.e., multiplexed and disposable device configurations, an alternative electrode location is incorporated. By moving the charging electrode to the nozzle surface, the diffusion length scale is greatly reduced, drastically improving ionization efficiency. The ionization efficiency of all operating conditions considered is expressed as a function of the dimensionless Peclet number, which defines the relative effect of advection as compared to diffusion. This analysis is general enough to elucidate an important role of electrochemistry in ionization efficiency of any arrayed ion sources, be they mechanically-driven or electrosprays, and is vital for determining optimal design and operation conditions. PMID:20607111

Reactive solid surface morphology variation via ionic diffusion.

PubMed

Sun, Zhenchao; Zhou, Qiang; Fan, Liang-Shih

2012-08-14

In gas-solid reactions, one of the most important factors that determine the overall reaction rate is the solid morphology, which can be characterized by a combination of smooth, convex and concave structures. Generally, the solid surface structure varies in the course of reactions, which is classically noted as being attributed to one or more of the following three mechanisms: mechanical interaction, molar volume change, and sintering. Here we show that if a gas-solid reaction involves the outward ionic diffusion of a solid-phase reactant then this outward ionic diffusion could eventually smooth the surface with an initial concave and/or convex structure. Specifically, the concave surface is filled via a larger outward diffusing surface pointing to the concave valley, whereas the height of the convex surface decreases via a lower outward diffusion flux in the vertical direction. A quantitative 2-D continuum diffusion model is established to analyze these two morphological variation processes, which shows consistent results with the experiments. This surface morphology variation by solid-phase ionic diffusion serves to provide a fourth mechanism that supplements the traditionally acknowledged solid morphology variation or, in general, porosity variation mechanisms in gas-solid reactions.

Spatial Interpretation of Tower, Chamber and Modelled Terrestrial Fluxes in a Tropical Forest Plantation

NASA Astrophysics Data System (ADS)

Whidden, E.; Roulet, N.

2003-04-01

Interpretation of a site average terrestrial flux may be complicated in the presence of inhomogeneities. Inhomogeneity may invalidate the basic assumptions of aerodynamic flux measurement. Chamber measurement may miss or misinterpret important temporal or spatial anomalies. Models may smooth over important nonlinearities depending on the scale of application. Although inhomogeneity is usually seen as a design problem, many sites have spatial variance that may have a large impact on net flux, and in many cases a large homogeneous surface is unrealistic. The sensitivity and validity of a site average flux are investigated in the presence of an inhomogeneous site. Directional differences are used to evaluate the validity of aerodynamic methods and the computation of a site average tower flux. Empirical and modelling methods are used to interpret the spatial controls on flux. An ecosystem model, Ecosys, is used to assess spatial length scales appropriate to the ecophysiologic controls. A diffusion model is used to compare tower, chamber, and model data, by spatially weighting contributions within the tower footprint. Diffusion model weighting is also used to improve tower flux estimates by producing footprint averaged ecological parameters (soil moisture, soil temperature, etc.). Although uncertainty remains in the validity of measurement methods and the accuracy of diffusion models, a detailed spatial interpretation is required at an inhomogeneous site. Flux estimation between methods improves with spatial interpretation, showing the importance to an estimation of a site average flux. Small-scale temporal and spatial anomalies may be relatively unimportant to overall flux, but accounting for medium-scale differences in ecophysiological controls is necessary. A combination of measurements and modelling can be used to define the appropriate time and length scales of significant non-linearity due to inhomogeneity.

Characterizing acid diffusion lengths in chemically amplified resists from measurements of deprotection kinetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patil, Abhijit A.; Pandey, Yogendra Narayan; Doxastakis, Manolis

2014-10-01

The acid-catalyzed deprotection of glassy poly(4-hydroxystyrene-co-tertbutyl acrylate) films was studied with infrared absorbance spectroscopy and stochastic simulations. Experimental data were interpreted with a simple description of subdiffusive acid transport coupled to second-order acid loss. This model predicts key attributes of observed deprotection rates, such as fast reaction at short times, slow reaction at long times, and a nonlinear dependence on acid loading. Fickian diffusion is approached by increasing the post-exposure bake temperature or adding plasticizing agents to the polymer resin. These findings demonstrate that acid mobility and overall deprotection kinetics are coupled to glassy matrix dynamics. To complement the analysismore » of bulk kinetics, acid diffusion lengths were calculated from the anomalous transport model and compared with nanopattern line widths. The consistent scaling between experiments and simulations suggests that the anomalous diffusion model could be further developed into a predictive lithography tool.« less

Band gap modulation of graphene by metal substrate: A first principles study

NASA Astrophysics Data System (ADS)

Sahoo, Mihir Ranjan; Sahu, Sivabrata; Kushwaha, Anoop Kumar; Nayak, S. K.

2018-04-01

Due to high in-plane charge carrier mobility with high electron velocity and long spin diffusion length, graphene guarantees as a completely unique material for devices with various applications. Unaffected 2pz orbitals of carbon atoms in graphene can be highly influenced by substrates and leads to tuning in electronic properties. We report here a density functional calculation of graphene monolayer based on metallic substrate like nickel surfaces. Band-gap of graphene near K points opens due to interactions between 2pz and d-orbitals of nickel atoms and the gap modulation can be done with the increasing number of layers of substrates.

COLD TRAPS

DOEpatents

Thompson, W.I.

1958-09-30

A cold trap is presented for removing a condensable component from a gas mixture by cooling. It consists of a shell, the exterior surface of which is chilled by a refrigerant, and conductive fins welded inside the shell to condense the gas, and distribute the condensate evenly throughout the length of the trap, so that the trap may function until it becomes completely filled with the condensed solid. The contents may then be removed as either a gas or as a liquid by heating the trap. This device has particuinr use as a means for removing uranium hexafluoride from the gaseous diffusion separation process during equipment breakdown and repair periods.

Long-term ingestion of Hibiscus sabdariffa calyx extract enhances myocardial capillarization in the spontaneously hypertensive rat.

PubMed

Inuwa, Ibrahim; Ali, Badreldin H; Al-Lawati, Intisar; Beegam, Sumaya; Ziada, Amal; Blunden, Gerald

2012-05-01

The effects of Hibiscus sabdariffa (HS) in lowering blood pressure in human and animal hypertension have been documented. This study investigated the effect of the water extract of the dried calyx of HS and Hibiscus anthocyanins (HAs) on left ventricular myocardial capillary length and surface area in spontaneously hypertensive rats (SHRs). Twelve-week-old male SHRs were divided into eight groups (six rats in each group). Three groups were given three doses; 10%, 15% and 20% of the water extract of HS in lieu of drinking water for 10 consecutive weeks (HS10, HS15 and HS20) with one group kept as control (C). Another three groups were given three doses of the HAs orally at doses of 50, 100 and 200 mg/kg for five consecutive days with one group kept as a control (C). Systolic (SBP) and diastolic (DBP) blood pressures, as well as heart rate (HR), were measured weekly. After the experimental protocols, the left ventricles (LV) of all rats were obtained. Capillary surface area density and length density were determined by unbiased sterological methods on 3 μm LV tissue samples from perfusion-fixed hearts. HS ingestion significantly reduced SBP, DBP and LV mass in a dose-dependent fashion but did not affect the HR. HS significantly increased surface area and length density of myocardial capillaries by 59%, 65% and 86%, and length density by 57%, 77% and 57%, respectively. Myocyte nuclear volume was significantly decreased in HS-treated rats. There was a decrease (although insignificant) in SBP and DBP with HA ingestion compared with controls. These changes suggest that the observed beneficial effect of HS on high BP in SHRs could be mediated through a reduction in the diffusion distance between capillaries and myocytes, as well as new vessel formation. It is proposed that these effects might be beneficial in restoring myocyte normal nutritional status compromised by the hypertrophic state of hypertension.

Diffusion length measurements of thin GaAs solar cells by means of energetic electrons

NASA Technical Reports Server (NTRS)

Vonross, O.

1980-01-01

A calculation of the short circuit current density (j sub sc) of a thin GaAs solar cell induced by fast electrons is presented. It is shown that in spite of the disparity in thickness between the N-type portion of the junction and the P-type portion of the junction, the measurement of the bulk diffusion length L sub p of the N-type part of the junction is seriously hampered due to the presence of a sizable contribution to the j sub sc from the P-type region of the junction. Corrections of up to 50% had to be made in order to interpret the data correctly. Since these corrections were not amenable to direct measurements it is concluded that the electron beam method for the determination of the bulk minority carrier diffusion length, which works so well for Si solar cells, is a poor method when applied to thin GaAs cells.

Estimation of Kubo number and correlation length of fluctuating magnetic fields and pressure in BOUT + + edge pedestal collapse simulation

NASA Astrophysics Data System (ADS)

Kim, Jaewook; Lee, W.-J.; Jhang, Hogun; Kaang, H. H.; Ghim, Y.-C.

2017-10-01

Stochastic magnetic fields are thought to be as one of the possible mechanisms for anomalous transport of density, momentum and heat across the magnetic field lines. Kubo number and Chirikov parameter are quantifications of the stochasticity, and previous studies show that perpendicular transport strongly depends on the magnetic Kubo number (MKN). If MKN is smaller than one, diffusion process will follow Rechester-Rosenbluth model; whereas if it is larger than one, percolation theory dominates the diffusion process. Thus, estimation of Kubo number plays an important role to understand diffusion process caused by stochastic magnetic fields. However, spatially localized experimental measurement of fluctuating magnetic fields in a tokamak is difficult, and we attempt to estimate MKNs using BOUT + + simulation data with pedestal collapse. In addition, we calculate correlation length of fluctuating pressures and Chirikov parameters to investigate variation correlation lengths in the simulation. We, then, discuss how one may experimentally estimate MKNs.

In situ visualization of metallurgical reactions in nanoscale Cu/Sn diffusion couples

NASA Astrophysics Data System (ADS)

Yin, Qiyue; Gao, Fan; Gu, Zhiyong; Stach, Eric A.; Zhou, Guangwen

2015-03-01

The Cu-Sn metallurgical soldering reaction in two-segmented Cu-Sn nanowires is studied by in situ transmission electron microscopy. By varying the relative lengths of Cu and Sn segments, we show that the metallurgical reaction results in a Cu-Sn solid solution for small Sn/Cu length ratio while Cu-Sn intermetallic compounds (IMCs) for larger Sn/Cu length ratios. Upon heating the nanowires to ~500 °C, two phase transformation pathways occur, η-Cu6Sn5 --> ε-Cu3Sn --> δ-Cu41Sn11 for nanowires with a long Cu segment and η-Cu6Sn5 --> ε-Cu3Sn --> γ-Cu3Sn with a short Cu segment. The evolution of Kirkendall voids in the nanowires demonstrates that Cu diffuses faster than Sn in IMCs. Void growth results in the nanowire breakage that shuts off the inter-diffusion of Cu and Sn and thus leads to changes in the phase transformation pathway in the IMCs.

Diffusion lengths in irradiated N/P InP-on-Si solar cells

NASA Technical Reports Server (NTRS)

Wojtczuk, Steven; Colerico, Claudia; Summers, Geoffrey P.; Walters, Robert J.; Burke, Edward A.

1995-01-01

Indium phosphide (InP) solar cells are being made on silicon (Si) wafers (InP/Si) to take advantage of both the radiation-hardness properties of the InP solar cell and the light weight and low cost of Si wafers compared to InP or germanium (Ge) wafers. The InP/Si cell application is for long duration and/or high radiation orbit space missions. InP/Si cells have higher absolute efficiency after a high radiation dose than gallium arsenide (GaAs) or silicon (Si) solar cells. In this work, base electron diffusion lengths in the N/P cell are extracted from measured AM0 short-circuit photocurrent at various irradiation levels out to an equivalent 1 MeV fluence of 1017 1 MeV electrons/sq cm for a 1 sq cm 12% BOL InP/Si cell. These values are then checked for consistency by comparing measured Voc data with a theoretical Voc model that includes a dark current term that depends on the extracted diffusion lengths.

Diffusion of volatile organics through porous snow: impact of surface adsorption and grain boundaries

NASA Astrophysics Data System (ADS)

Bartels-Rausch, T.; Wren, S. N.; Schreiber, S.; Riche, F.; Schneebeli, M.; Ammann, M.

2013-07-01

Release of trace gases from surface snow on earth drives atmospheric chemistry, especially in the polar regions. The gas-phase diffusion of methanol and of acetone through the interstitial air of snow was investigated in a well-controlled laboratory study in the temperature range of 223 to 263 K. The aim of this study was to evaluate how the structure of the snowpack, the interaction of the trace gases with the snow surface, and the grain boundaries influence the diffusion on timescales up to 1 h. The diffusive loss of these two volatile organics into packed snow samples was measured using a chemical ionization mass spectrometer. The structure of the snow was analysed by means of X-ray-computed micro-tomography. The observed diffusion profiles could be well described based on gas-phase diffusion and the known structure of the snow sample at temperatures ≥ 253 K. At colder temperatures, surface interactions start to dominate the diffusive transport. Parameterizing these interactions in terms of adsorption to the solid ice surface, i.e. using temperature-dependent air-ice partitioning coefficients, better described the observed diffusion profiles than the use of air-liquid partitioning coefficients. No changes in the diffusive fluxes were observed by increasing the number of grain boundaries in the snow sample by a factor of 7, indicating that for these volatile organic trace gases, uptake into grain boundaries does not play a role on the timescale of diffusion through porous surface snow. For this, a snow sample with an artificially high amount of ice grains was produced and the grain boundary surface measured using thin sections. In conclusion, we have shown that the diffusivity can be predicted when the structure of the snowpack and the partitioning of the trace gas to solid ice is known.

Comparison between the intra-particle diffusivity in the hydrophilic interaction chromatography and reversed phase liquid chromatography modes. Impact on the column efficiency.

PubMed

Gritti, Fabrice; Guiochon, Georges

2013-07-05

The effective diffusion coefficients of five low molecular weigh compounds (naphthalene, uracil, uridine, adenosine, and cytosine) were measured at room temperature in a 4.6mm×100mm column packed with 3.5μm XBridge HILIC particles. The mobile phase was an acetonitrile-water mixture (92.5/7.5, v/v) containing 10mM ammonium acetate and 0.02% acetic acid. Using a physically reliable model of effective diffusion in binary composite media (Torquato's model), accurate estimates of the intra-particle diffusivities in the HILIC particles were obtained as a function of the retention of these analytes. The HILIC diffusion coefficients were compared to those previously obtained for endcapped RPLC-C18 particles (5.0μm Gemini-C18). The experimental results confirm that adsorption sites are not localized in RPLC whereas they are so in the HILIC mode. In contrast to RPLC columns, HILIC columns provide longitudinal diffusion B/u terms that increase very little with increasing retention factors. This confirms the absence of surface diffusion in HILIC. The impact of intra-particle diffusivity on the column efficiency was projected in HILIC and RPLC on the basis of the measured intra-particle diffusivities and on the well established theory of band broadening in particulate columns. Accordingly, RPLC columns generate short-range eddy dispersion and solid-liquid mass transfer resistance Cu terms that increase less than do HILIC column with increasing retention factors. The HETP contribution caused by the trans-column structure heterogeneity is smaller in the HILIC than in the RPLC modes because the transverse excursion length is smaller in HILIC. Even though the overall column efficiencies are comparable in HILIC and RPLC, this study shows that the individual mass transfer phenomena are inherently different in the HILIC and the RPLC retention modes. Copyright © 2013 Elsevier B.V. All rights reserved.

Charge transfer fluorescence and 34 nm exciton diffusion length in polymers with electron acceptor end traps

DOE PAGES

Zaikowski, Lori; Mauro, Gina; Bird, Matthew; ...

2014-12-22

Photoexcitation of conjugated poly-2,7-(9,9-dihexylfluorene) polyfluorenes with naphthylimide (NI) and anthraquinone (AQ) electron-acceptor end traps produces excitons that form charge transfer states at the end traps. Intramolecular singlet exciton transport to end traps was examined by steady state fluorescence for polyfluorenes of 17 to 127 repeat units in chloroform, dimethylformamide (DMF), tetrahydrofuran (THF), and p-xylene. End traps capture excitons and form charge transfer (CT) states at all polymer lengths and in all solvents. The CT nature of the end-trapped states is confirmed by their fluorescence spectra, solvent and trap group dependence and DFT descriptions. Quantum yields of CT fluorescence are asmore » large as 46%. This strong CT emission is understood in terms of intensity borrowing. Energies of the CT states from onsets of the fluorescence spectra give the depths of the traps which vary with solvent polarity. For NI end traps the trap depths are 0.06 (p-xylene), 0.13 (THF) and 0.19 eV (CHCl 3). For AQ, CT fluorescence could be observed only in p-xylene where the trap depth is 0.27 eV. Quantum yields, emission energies, charge transfer energies, solvent reorganization and vibrational energies were calculated. Fluorescence measurements on chains >100 repeat units indicate that end traps capture ~50% of the excitons, and that the exciton diffusion length L D =34 nm, which is much larger than diffusion lengths reported in polymer films or than previously known for diffusion along isolated chains. As a result, the efficiency of exciton capture depends on chain length, but not on trap depth, solvent polarity or which trap group is present.« less

Effect of Aging and Surface Interactions on the Diffusion of Endogenous Compounds in Latent Fingerprints Studied by Mass Spectrometry Imaging.

PubMed

O'Neill, Kelly C; Lee, Young Jin

2018-05-01

The ability to determine the age of fingerprints would be immeasurably beneficial in criminal investigations. We explore the possibility of determining the age of fingerprints by analyzing various compounds as they diffuse from the ridges to the valleys of fingerprints using matrix-assisted laser desorption/ionization mass spectrometry imaging. The diffusion of two classes of endogenous fingerprint compounds, fatty acids and triacylglycerols (TGs), was studied in fresh and aged fingerprints on four surfaces. We expected higher molecular weight TGs would diffuse slower than fatty acids and allow us to determine the age of older fingerprints. However, we found interactions between endogenous compounds and the surface have a much stronger impact on diffusion than molecular weight. For example, diffusion of TGs is faster on hydrophilic plain glass or partially hydrophilic stainless steel surfaces, than on a hydrophobic Rain-x treated surface. This result further complicates utilizing a diffusion model to age fingerprints. © 2017 American Academy of Forensic Sciences.

Lithium diffusion at Si-C interfaces in silicon-graphene composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Odbadrakh, Khorgolkhuu; McNutt, N. W.; Nicholson, D. M.

2014-08-04

Models of intercalated Li and its diffusion in Si-Graphene interfaces are investigated using density functional theory. Results suggest that the presence of interfaces alters the energetics of Li binding and diffusion significantly compared to bare Si or Graphene surfaces. Our results show that cavities along reconstructed Si surface provide diffusion paths for Li. Diffusion barriers calculated along these cavities are significantly lower than penetration barriers to bulk Si. Interaction with Si surface results in graphene defects, creating Li diffusion paths that are confined along the cavities but have still lower barrier than in bulk Si.

PbCl2-tuned inorganic cubic CsPbBr3(Cl) perovskite solar cells with enhanced electron lifetime, diffusion length and photovoltaic performance

NASA Astrophysics Data System (ADS)

Li, Bo; Zhang, Yanan; Zhang, Luyuan; Yin, Longwei

2017-08-01

Inorganic CsPbBr3 perovskite is arousing great interest following after organic-inorganic hybrid halide perovskites, and is found as a good candidate for photovoltaic devices for its prominent photoelectric property and stability. Herein, we for the first time report on PbCl2-tuned inorganic Cl-doped CsPbBr3(Cl) perovskite solar cells with adjustable crystal structure and Cl doping for enhanced carrier lifetime, extraction rate and photovoltaic performance. The effect of PbCl2 on the morphologies, structures, optical, and photovoltaic performance of CsPbBr3 perovskite solar cells is investigated systemically. Compared with orthorhombic CsPbBr3, cubic CsPbBr3 demonstrates a significant improvement for electron lifetime (from 6.7 ns to 12.3 ns) and diffusion length (from 69 nm to 197 nm), as well as the enhanced electron extraction rate from CsPbBr3 to TiO2. More importantly, Cl doping benefits the further enhancement of carrier lifetime (14.3 ns) and diffusion length (208 nm). The Cl doped cubic CsPbBr3(Cl) perovskite solar cell exhibits a Jsc of 8.47 mA cm-2 and a PCE of 6.21%, superior to that of pure orthorhombic CsPbBr3 (6.22 mA cm-2 and 3.78%). The improvement of photovoltaic performance can be attributed to enhanced carrier lifetime, diffusion length and extraction rates, as well as suppressed nonradiative recombination.

Confinement-induced alterations in the evaporation dynamics of sessile droplets.

PubMed

Bansal, Lalit; Chakraborty, Suman; Basu, Saptarshi

2017-02-07

Evaporation of sessile droplets has been a topic of extensive research. However, the effect of confinement on the underlying dynamics has not been well explored. Here, we report the evaporation dynamics of a sessile droplet in a confined fluidic environment. Our findings reveal that an increase in the channel length delays the completion of the evaporation process and leads to unique spatio-temporal evaporation flux and internal flow. The evaporation modes (constant contact angle and constant contact radius) during the droplet lifetime however exhibit global similarity when normalized by appropriate length and timescales. These results are explained in light of an increase in vapor concentration inside the channel due to greater accumulation of water vapor on account of increased channel length. We have formulated a theoretical framework which introduces two key parameters namely an enhanced concentration of the vapor field in the vicinity of the confined droplet and a corresponding accumulation lengthscale over which the accumulated vapor relaxes to the ambient concentration. Using these two parameters and modified diffusion based evaporation we are able to show that confined droplets exhibit a universal behavior in terms of the temporal evolution of each evaporation mode irrespective of the channel length. These results may turn out to be of profound importance in a wide variety of applications, ranging from surface patterning to microfluidic technology.

Investigation of heavy-ion fusion with deformed surface diffuseness: Actinide and lanthanide targets

NASA Astrophysics Data System (ADS)

Alavi, S. A.; Dehghani, V.

2017-05-01

By using a deformed Broglia-Winther nuclear interaction potential in the framework of the WKB method, the near- and above-barrier heavy-ion-fusion cross sections of 16O with some lanthanides and actinides have been calculated. The effect of deformed surface diffuseness on the nuclear interaction potential, the effective interaction potential at distinct angle, barrier position, barrier height, cross section at each angles, and fusion cross sections of 16O+147Sm,150Nd,154Sm , and 166Er and 16O+232Th,238U,237Np , and 248Cm have been studied. The differences between the results obtained by using deformed surface diffuseness and those obtained by using constant surface diffuseness were noticeable. Good agreement between experimental data and theoretical calculation with deformed surface diffuseness were observed for 16O+147Sm,154Sm,166Er,238U,237Np , and 248Cm reactions. It has been observed that deformed surface diffuseness plays a significant role in heavy-ion-fusion studies.

Energy transfers in internal tide generation, propagation and dissipation in the deep ocean

NASA Astrophysics Data System (ADS)

Floor, J. W.; Auclair, F.; Marsaleix, P.

The energy transfers associated with internal tide (IT) generation by a semi-diurnal surface tidal wave impinging on a supercritical meridionally uniform deep ocean ridge on the f-plane, and subsequent IT-propagation are analysed using the Boussinesq, free-surface, terrain-following ocean model Symphonie. The energy diagnostics are explicitly based on the numerical formulation of the governing equations, permitting a globally conservative, high-precision analysis of all physical and numerical/artificial energy transfers in a sub-domain with open lateral boundaries. The net primary energy balances are quantified using a moving average of length two tidal periods in a simplified control simulation using a single time-step, minimal diffusion, and a no-slip sea floor. This provides the basis for analysis of enhanced vertical and horizontal diffusion and a free-slip bottom boundary condition. After a four tidal period spin-up, the tidally averaged (net) primary energy balance in the generation region, extending ±20 km from the ridge crest, shows that the surface tidal wave loses approximately C = 720 W/m or 0.3% of the mean surface tidal energy flux (2.506 × 10 5 W/m) in traversing the ridge. This corresponds mainly to the barotropic-to-baroclinic energy conversion due to stratified flow interaction with sloping topography. Combined with a normalised net advective flux of baroclinic potential energy of 0.9 × C this causes a net local baroclinic potential energy gain of 0.72 × C and a conversion into baroclinic kinetic energy through the baroclinic buoyancy term of 1.18 × C. Tidally averaged, about 1.14 × C is radiated into the abyssal ocean through the total baroclinic flux of internal pressure associated with the IT- and background density field. This total baroclinic pressure flux is therefore not only determined by the classic linear surface-to-internal tide conversion, but also by the net advection of baroclinic (background) potential energy, indicating the importance of local processes other than linear IT-motion. In the propagation region (PR), integrated over the areas between 20 and 40 km from the ridge crest, the barotropic and baroclinic tide are decoupled. The net incoming total baroclinic pressure flux is balanced by local potential energy gain and outward baroclinic flux of potential energy associated with the total baroclinic density. The primary net energy balances are robust to changes in the vertical diffusion coefficient, whereas relatively weak horizontal diffusion significantly reduces the outward IT energy flux. Diapycnal mixing due to vertical diffusion causes an available potential energy loss of about 1% of the total domain-averaged potential energy gain, which matches {km-1}/{km}ρ0KVN2 to within 0.5%, for km linearly distributed grid-levels and constant background density ρ0, vertical diffusivity ( KV) and buoyancy frequency ( N).

Investigation of the oxygen exchange mechanism on Pt|yttria stabilized zirconia at intermediate temperatures: Surface path versus bulk path

PubMed Central

Opitz, Alexander K.; Lutz, Alexander; Kubicek, Markus; Kubel, Frank; Hutter, Herbert; Fleig, Jürgen

2011-01-01

The oxygen exchange kinetics of platinum on yttria-stabilized zirconia (YSZ) was investigated by means of geometrically well-defined Pt microelectrodes. By variation of electrode size and temperature it was possible to separate two temperature regimes with different geometry dependencies of the polarization resistance. At higher temperatures (550–700 °C) an elementary step located close to the three phase boundary (TPB) with an activation energy of ∼1.6 eV was identified as rate limiting. At lower temperatures (300–400 °C) the rate limiting elementary step is related to the electrode area and exhibited a very low activation energy in the order of 0.2 eV. From these observations two parallel pathways for electrochemical oxygen exchange are concluded. The nature of these two elementary steps is discussed in terms of equivalent circuits. Two combinations of parallel rate limiting reaction steps are found to explain the observed geometry dependencies: (i) Diffusion through an impurity phase at the TPB in parallel to diffusion of oxygen through platinum – most likely along Pt grain boundaries – as area-related process. (ii) Co-limitation of oxygen diffusion along the Pt|YSZ interface and charge transfer at the interface with a short decay length of the corresponding transmission line (as TPB-related process) in parallel to oxygen diffusion through platinum. PMID:22210951

A Theoretical Study of Flow Structure and Radiation for Multiphase Turbulent Diffusion Flames

DTIC Science & Technology

1990-03-01

density function. According to the axial void fraction profile in Fig. 24, the flame length (the total penetration length) extends to x/d=150. By referring...temperature because of subcooling effect. Decreasing liquid temperature will increase condensation which in turn reduces the flame length as defined by

In vitro dissolution kinetic study of theophylline from hydrophilic and hydrophobic matrices.

PubMed

Maswadeh, Hamzah M; Semreen, Mohammad H; Abdulhalim, Abdulatif A

2006-01-01

Oral dosage forms containing 300 mg theophylline in matrix type tablets, were prepared by direct compression method using two kinds of matrices, glycerylbehenate (hydrophobic), and (hydroxypropyl)methyl cellulose (hydrophilic). The in vitro release kinetics of these formulations were studied at pH 6.8 using the USP dissolution apparatus with the paddle assemble. The kinetics of the dissolution process were studied by analyzing the dissolution data using four kinetic equations, the zero-order equation, the first-order equation, the Higuchi square root equation and the Hixson-Crowell cube root law. The analysis of the dissolution kinetic data for the theophylline preparations in this study shows that it follows the first order kinetics and the release process involves erosion / diffusion and an alteration in the surface area and diameter of the matrix system, as well as in the diffusion path length from the matrix drug load during the dissolution process. This relation is best described by the use of both the first-order equation and the Hixson-Crowell cube root law.

Fractal analysis of Xylella fastidiosa biofilm formation

NASA Astrophysics Data System (ADS)

Moreau, A. L. D.; Lorite, G. S.; Rodrigues, C. M.; Souza, A. A.; Cotta, M. A.

2009-07-01

We have investigated the growth process of Xylella fastidiosa biofilms inoculated on a glass. The size and the distance between biofilms were analyzed by optical images; a fractal analysis was carried out using scaling concepts and atomic force microscopy images. We observed that different biofilms show similar fractal characteristics, although morphological variations can be identified for different biofilm stages. Two types of structural patterns are suggested from the observed fractal dimensions Df. In the initial and final stages of biofilm formation, Df is 2.73±0.06 and 2.68±0.06, respectively, while in the maturation stage, Df=2.57±0.08. These values suggest that the biofilm growth can be understood as an Eden model in the former case, while diffusion-limited aggregation (DLA) seems to dominate the maturation stage. Changes in the correlation length parallel to the surface were also observed; these results were correlated with the biofilm matrix formation, which can hinder nutrient diffusion and thus create conditions to drive DLA growth.

Application of aerial photography to the study of small scale upper ocean phenomena

NASA Technical Reports Server (NTRS)

Ichiye, T.; Carnes, M.

1981-01-01

The industrial waste dumped 180 n. miles south of Galveston was monitored in July 1977 by water sampling, hydrographic measurements, acoustic tracking on board two vessels, and by aerial photography. The plume of the waste diffused vertically and horizontally. Photodensitometry of aerial photos of the plume showed lateral dispersion of the plume in agreement with two other methods: acoustic tracking of the waste suspensoid and transmissometer sampling. In addition, the method showed small scale features like the lateral and longitudinal variations in the photodensity, indicating the waste concentration. This waste concentration showed periodic changes in its axial distance, with the spectral peak at about 160 m wave length. It shows a sharp increase at the windward edge of the plume as do the acoustic records. This phenomenon is explained in terms of the shearing current near the surface together with vertical diffusion. The periodic change along the axis is explained in terms of the Langmuir circulation and in terms of internal ship waves.

Classical transport in disordered systems

NASA Astrophysics Data System (ADS)

Papaioannou, Antonios

This thesis reports on the manifestation of structural disorder on molecular transport and it consists of two parts. Part I discusses the relations between classical transport and the underlying structural complexity of the system. Both types of molecular diffusion, namely Gaussian and non- Gaussian are presented and the relevant time regimes are discussed. In addition the concept of structural universality is introduced and connected with the diffusion metrics. One of the most robust techniques for measuring molecular mean square displacements is magnetic resonance. This method requires encoding and subsequently reading out after an experimentally controlled time, a phase φ to the spins using magnetic field gradients. The main limitation for probing short diffusion lengths L(t) ˜ 1micro m with magnetic resonance is the requirement to encode and decode the phase φ in very short time intervals. Therefore, to probe such displacements a special probe was developed equipped with a gradient coil capable of delivering magnetic field gradients of approximately 90 G/cmA . The design of the probe is reported. Part I also includes a discussion of experiments of transport in two qualitatively different disordered phantoms and reports on a direct observation of universality in one-dimension. The results reveal the universal power law scaling of the diffusion coefficient at the long-time regime and illustrate the essence of structural universality by experimentally determining the structure correlation function of the phantoms. In addition, the scaling of the diffusive permeability of the phantoms with respect to the pore size is investigated. Additional work presented includes a detailed study of adsorption of methane gas in Vycor disordered glass. The techniques described in Part I of this thesis are widely used for measuring structural parameters of porous media, such as the surface-to-volume ratio or diffusive permeability. Part II of this thesis discusses the biophysical application of diffusion in disordered systems in the field of bioengineering. Elastin-based bioengineered scaffolds, which are mainly used for tissue and bone regeneration, must be able to deliver nutrients to the native tissue. It is therefore essential to quantitatively assess their structural parameters such as their surface-to-volume ratio and diffusive permeability. Part II focuses on a detailed study of structure and dynamics of elastin, the principle protein component found in tissues and one of the main components for scaffold engineering, using NMR 13C-MAS techniques. Lastly, the second half of Part II, discusses preliminary experiments of diffusion in elastin-based films.

Extended Generation Profile - E.B.I.C. Model

NASA Astrophysics Data System (ADS)

Guermazi, S.; Toureille, A.; Grill, C.; El Jani, B.; Lakhoua, N.

1996-04-01

We have developed a model for the calculation of the induced current due to an electron beam with an extended profile. As well as the number of absorbed and diffuse electrons as a function of the depth, the generation profile takes into account the lateral diffusion and the effect of defects, dislocations and recombination surfaces. The expression from the Electron Beam Induced Current (EBIC) is obtained by solving the continuity equation in permanent regime by the Green function method. In the case of a Schottky diode Au/InP, obtained by ionic scattering followed by a quick thermal treatment, the induced current profile is compared to the theoretical profiles whose analytical expressions are given by Van Roosbroeck and Bresse. The experimental current profile, measured by S.E.M provided us with the calculation of the diffusion length of the minority carriers, L_n=1 μm. The theoretical curve obtained from the proposed model is in good agreement with the experimental one for a surface recombination velocity of 104 cm s^{-1}. Our results are found to be consistent with those obtained by other experimental techniques on the same samples. Nous avons développé un modèle de calcul du courant induit par un faisceau d'électrons avec un profil de génération élargi. Le profil de génération tient compte, en plus du nombre d'électrons absorbés et du nombre d'électrons diffusés en fonction de la profondeur, de la diffusion latérale (en prenant en considération la diffusion angulaire), de l'effet des défauts, des dislocations et de la recombinaison à la surface. L'expression analytique du courant induit E.B.I.C est déterminée par résolution de l'équation de continuité en régime permanent par la méthode des fonctions de Green. Le profil de courant induit obtenu dans le cas d'une diode Schottky Au/InP dopé p et fabriqué par implantation suivit d'un recuit, est comparé au profil de courant théorique dont l'expression analytique est explicité par Van Roosbroeck et Bresse. Le profil de courant expérimental, mesuré par un microscope électronique à balayage, nous a permis de calculer la longueur de diffusion des porteurs minoritaires L_n=1 μm. La courbe théorique, tracée à partir du modèle proposé, est en bon accord avec la courbe expérimental pour une vitesse de recombinaison à la surface de 104 cm s^{-1}. Ces résultats sont conformes avec ceux obtenus par d'autres techniques expérimentales sur les mêmes échantillons.

The role of electrostatic interactions in protease surface diffusion and the consequence for interfacial biocatalysis.

PubMed

Feller, Bob E; Kellis, James T; Cascão-Pereira, Luis G; Robertson, Channing R; Frank, Curtis W

2010-12-21

This study examines the influence of electrostatic interactions on enzyme surface diffusion and the contribution of diffusion to interfacial biocatalysis. Surface diffusion, adsorption, and reaction were investigated on an immobilized bovine serum albumin (BSA) multilayer substrate over a range of solution ionic strength values. Interfacial charge of the enzyme and substrate surface was maintained by performing the measurements at a fixed pH; therefore, electrostatic interactions were manipulated by changing the ionic strength. The interfacial processes were investigated using a combination of techniques: fluorescence recovery after photobleaching, surface plasmon resonance, and surface plasmon fluorescence spectroscopy. We used an enzyme charge ladder with a net charge ranging from -2 to +4 with respect to the parent to systematically probe the contribution of electrostatics in interfacial enzyme biocatalysis on a charged substrate. The correlation between reaction rate and adsorption was determined for each charge variant within the ladder, each of which displayed a maximum rate at an intermediate surface concentration. Both the maximum reaction rate and adsorption value at which this maximum rate occurs increased in magnitude for the more positive variants. In addition, the specific enzyme activity increased as the level of adsorption decreased, and for the lowest adsorption values, the specific enzyme activity was enhanced compared to the trend at higher surface concentrations. At a fixed level of adsorption, the specific enzyme activity increased with positive enzyme charge; however, this effect offers diminishing returns as the enzyme becomes more highly charged. We examined the effect of electrostatic interactions on surface diffusion. As the binding affinity was reduced by increasing the solution ionic strength, thus weakening electrostatic interaction, the rate of surface diffusion increased considerably. The enhancement in specific activity achieved at the lowest adsorption values is explained by the substantial rise in surface diffusion at high ionic strength due to decreased interactions with the surface. Overall, knowledge of the electrostatic interactions can be used to control surface parameters such as surface concentration and surface diffusion, which intimately correlate with surface biocatalysis. We propose that the maximum reaction rate results from a balance between adsorption and surface diffusion. The above finding suggests enzyme engineering and process design strategies for improving interfacial biocatalysis in industrial, pharmaceutical, and food applications.

Ionic liquids behave as dilute electrolyte solutions

PubMed Central

Gebbie, Matthew A.; Valtiner, Markus; Banquy, Xavier; Fox, Eric T.; Henderson, Wesley A.; Israelachvili, Jacob N.

2013-01-01

We combine direct surface force measurements with thermodynamic arguments to demonstrate that pure ionic liquids are expected to behave as dilute weak electrolyte solutions, with typical effective dissociated ion concentrations of less than 0.1% at room temperature. We performed equilibrium force–distance measurements across the common ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([C4mim][NTf2]) using a surface forces apparatus with in situ electrochemical control and quantitatively modeled these measurements using the van der Waals and electrostatic double-layer forces of the Derjaguin–Landau–Verwey–Overbeek theory with an additive repulsive steric (entropic) ion–surface binding force. Our results indicate that ionic liquids screen charged surfaces through the formation of both bound (Stern) and diffuse electric double layers, where the diffuse double layer is comprised of effectively dissociated ionic liquid ions. Additionally, we used the energetics of thermally dissociating ions in a dielectric medium to quantitatively predict the equilibrium for the effective dissociation reaction of [C4mim][NTf2] ions, in excellent agreement with the measured Debye length. Our results clearly demonstrate that, outside of the bound double layer, most of the ions in [C4mim][NTf2] are not effectively dissociated and thus do not contribute to electrostatic screening. We also provide a general, molecular-scale framework for designing ionic liquids with significantly increased dissociated charge densities via judiciously balancing ion pair interactions with bulk dielectric properties. Our results clear up several inconsistencies that have hampered scientific progress in this important area and guide the rational design of unique, high–free-ion density ionic liquids and ionic liquid blends. PMID:23716690

Grain boundary diffusion behaviors in hot-deformed Nd2Fe14B magnets by PrNd-Cu low eutectic alloys

NASA Astrophysics Data System (ADS)

Tang, Xu; Chen, Renjie; Li, Ming; Jin, Chaoxiang; Yin, Wenzong; Lee, Don; Yan, Aru

2018-01-01

High coercivity of hot-deformed Nd2Fe14B magnets was obtained by grain boundary diffusion. Comparable squareness and similar magnetic properties for samples diffusing from side and pole surfaces show little discrepancies if quantities of the infiltrated PrNd-Cu low eutectic alloys is enough to obtain sufficient diffusion. However, the microstructures and higher characteristic peak ratios show preferable orientation of grains near surfaces of the sample diffused from side surfaces than that from pole surfaces. Amorphous Nd-rich phases and crystal Fe-rich phases were both observed in the diffused magnets. The enhancement of coercivity is considered to be resulted from grain boundary optimization and magnetic isolation which is caused by the thickened nonmagnetic intergranular phases.

Overall adsorption rate of metronidazole, dimetridazole and diatrizoate on activated carbons prepared from coffee residues and almond shells.

PubMed

Flores-Cano, J V; Sánchez-Polo, M; Messoud, J; Velo-Gala, I; Ocampo-Pérez, R; Rivera-Utrilla, J

2016-03-15

This study analyzed the overall adsorption rate of metronidazole, dimetridazole, and diatrizoate on activated carbons prepared from coffee residues and almond shells. It was also elucidated whether the overall adsorption rate was controlled by reaction on the adsorbent surface or by intraparticle diffusion. Experimental data of the pollutant concentration decay curves as a function of contact time were interpreted by kinetics (first- and second-order) and diffusion models, considering external mass transfer, surface and/or pore volume diffusion, and adsorption on an active site. The experimental data were better interpreted by a first-order than second-order kinetic model, and the first-order adsorption rate constant varied linearly with respect to the surface area and total pore volume of the adsorbents. According to the diffusion model, the overall adsorption rate is governed by intraparticle diffusion, and surface diffusion is the main mechanism controlling the intraparticle diffusion, representing >90% of total intraparticle diffusion. Copyright © 2015 Elsevier Ltd. All rights reserved.

An improved procedure for determining grain boundary diffusion coefficients from averaged concentration profiles

NASA Astrophysics Data System (ADS)

Gryaznov, D.; Fleig, J.; Maier, J.

2008-03-01

Whipple's solution of the problem of grain boundary diffusion and Le Claire's relation, which is often used to determine grain boundary diffusion coefficients, are examined for a broad range of ratios of grain boundary to bulk diffusivities Δ and diffusion times t. Different reasons leading to errors in determining the grain boundary diffusivity (DGB) when using Le Claire's relation are discussed. It is shown that nonlinearities of the diffusion profiles in lnCav-y6/5 plots and deviations from "Le Claire's constant" (-0.78) are the major error sources (Cav=averaged concentration, y =coordinate in diffusion direction). An improved relation (replacing Le Claire's constant) is suggested for analyzing diffusion profiles particularly suited for small diffusion lengths (short times) as often required in diffusion experiments on nanocrystalline materials.

Imaging fluorescence-correlation spectroscopy for measuring fast surface diffusion at liquid/solid interfaces.

PubMed

Cooper, Justin T; Harris, Joel M

2014-08-05

The development of techniques to probe interfacial molecular transport is important for understanding and optimizing surface-based analytical methods including surface-enhanced spectroscopies, biological assays, and chemical separations. Single-molecule-fluorescence imaging and tracking has been used to measure lateral diffusion rates of fluorescent molecules at surfaces, but the technique is limited to the study of slower diffusion, where molecules must remain relatively stationary during acquisition of an image in order to build up sufficient intensity in a spot to detect and localize the molecule. Although faster time resolution can be achieved by fluorescence-correlation spectroscopy (FCS), where intensity fluctuations in a small spot are related to the motions of molecules on the surface, long-lived adsorption events arising from surface inhomogeneity can overwhelm the correlation measurement and mask the surface diffusion of the moving population. Here, we exploit a combination of these two techniques, imaging-FCS, for measurement of fast interfacial transport at a model chromatographic surface. This is accomplished by rapid imaging of the surface using an electron-multiplied-charged-coupled-device (CCD) camera, while limiting the acquisition to a small area on the camera to allow fast framing rates. The total intensity from the sampled region is autocorrelated to determine surface diffusion rates of molecules with millisecond time resolution. The technique allows electronic control over the acquisition region, which can be used to avoid strong adsorption sites and thus minimize their contribution to the measured autocorrelation decay and to vary the acquisition area to resolve surface diffusion from adsorption and desorption kinetics. As proof of concept, imaging-FCS was used to measure surface diffusion rates, interfacial populations, and adsorption-desorption rates of 1,1'-dioctadecyl-3,3,3'3'-tetramethylindocarbocyanine (DiI) on planar C18- and C1-modified surfaces.

Steepest Ascent Low/Non-Low-Frequency Ratio in Empirical Mode Decomposition to Separate Deterministic and Stochastic Velocities From a Single Lagrangian Drifter

NASA Astrophysics Data System (ADS)

Chu, Peter C.

2018-03-01

SOund Fixing And Ranging (RAFOS) floats deployed by the Naval Postgraduate School (NPS) in the California Current system from 1992 to 2001 at depth between 150 and 600 m (http://www.oc.nps.edu/npsRAFOS/) are used to study 2-D turbulent characteristics. Each drifter trajectory is adaptively decomposed using the empirical mode decomposition (EMD) into a series of intrinsic mode functions (IMFs) with corresponding specific scale for each IMF. A new steepest ascent low/non-low-frequency ratio is proposed in this paper to separate a Lagrangian trajectory into low-frequency (nondiffusive, i.e., deterministic) and high-frequency (diffusive, i.e., stochastic) components. The 2-D turbulent (or called eddy) diffusion coefficients are calculated on the base of the classical turbulent diffusion with mixing length theory from stochastic component of a single drifter. Statistical characteristics of the calculated 2-D turbulence length scale, strength, and diffusion coefficients from the NPS RAFOS data are presented with the mean values (over the whole drifters) of the 2-D diffusion coefficients comparable to the commonly used diffusivity tensor method.

Changes in diffusion path length with old age in diffuse optical tomography

NASA Astrophysics Data System (ADS)

Bonnéry, Clément; Leclerc, Paul-Olivier; Desjardins, Michèle; Hoge, Rick; Bherer, Louis; Pouliot, Philippe; Lesage, Frédéric

2012-05-01

Diffuse, optical near infrared imaging is increasingly being used in various neurocognitive contexts where changes in optical signals are interpreted through activation maps. Statistical population comparison of different age or clinical groups rely on the relative homogeneous distribution of measurements across subjects in order to infer changes in brain function. In the context of an increasing use of diffuse optical imaging with older adult populations, changes in tissue properties and anatomy with age adds additional confounds. Few studies investigated these changes with age. Duncan et al. measured the so-called diffusion path length factor (DPF) in a large population but did not explore beyond the age of 51 after which physiological and anatomical changes are expected to occur [Pediatr. Res. 39(5), 889-894 (1996)]. With increasing interest in studying the geriatric population with optical imaging, we studied changes in tissue properties in young and old subjects using both magnetic resonance imaging (MRI)-guided Monte-Carlo simulations and time-domain diffuse optical imaging. Our results, measured in the frontal cortex, show changes in DPF that are smaller than previously measured by Duncan et al. in a younger population. The origin of these changes are studied using simulations and experimental measures.

Flux canceling in three-dimensional radiative magnetohydrodynamic simulations

NASA Astrophysics Data System (ADS)

Thaler, Irina; Spruit, H. C.

2017-05-01

We aim to study the processes involved in the disappearance of magnetic flux between regions of opposite polarity on the solar surface using realistic three-dimensional (3D) magnetohydrodynamic (MHD) simulations. "Retraction" below the surface driven by magnetic forces is found to be a very effective mechanism of flux canceling of opposite polarities. The speed at which flux disappears increases strongly with initial mean flux density. In agreement with existing inferences from observations we suggest that this is a key process of flux disappearance within active complexes. Intrinsic kG strength concentrations connect the surface to deeper layers by magnetic forces, and therefore the influence of deeper layers on the flux canceling process is studied. We do this by comparing simulations extending to different depths. For average flux densities of 50 G, and on length scales on the order of 3 Mm in the horizontal and 10 Mm in depth, deeper layers appear to have only a mild influence on the effective rate of diffusion.

Growth Of Single Crystalline Copper Nanowhiskers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolb, Matthias; Richter, Gunther

2010-11-24

Nanowhiskers are defect free single crystals with high aspect ratios and as result exhibit superior physical, e.g. mechanical properties. This paper sheds light on the kinetics of copper nanowhisker growth and thickening. Whisker growth was provoked by covering silicon wafers with a thin carbon film and subsequently coating them with copper by molecular beam epitaxy. The whiskers grown were examined by scanning electron microscopy and the length and diameter were measured as a function of the amount of copper deposited. The experiments show that nanowhisker growth follows Ruth and Hirth's growth model. A fit of the model parameters to themore » acquired data shows that adsorption of atoms on the substrate and on the whisker surface, with subsequent surface diffusion to the whisker tip, delivers by far the greatest portion of material for whisker growth. Additionally, the experiments demonstrate that the crystallographic orientation of the substrate surface greatly influences the growth rate in the early stage of whisker growth.« less

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS Fibreoptic diffuse-light irradiators of biological tissues

NASA Astrophysics Data System (ADS)

Volkov, Vladimir V.; Loshchenov, V. B.; Konov, Vitalii I.; Kononenko, Vitalii V.

2010-10-01

We report techniques for the fabrication of laser radiation diffusers for interstitial photodynamic therapy. Using chemical etching of the distal end of silica fibre with a core diameter of 200 — 600 μm, we have obtained long (up to 40 mm) diffusers with good scattering uniformity. Laser ablation has been used to produce cylindrical diffusers with high emission contrast and a scattering uniformity no worse than ~10 % in their middle part. The maximum length of the diffusers produced by this method is 20 — 25 mm.

Diffusion accessibility as a method for visualizing macromolecular surface geometry.

PubMed

Tsai, Yingssu; Holton, Thomas; Yeates, Todd O

2015-10-01

Important three-dimensional spatial features such as depth and surface concavity can be difficult to convey clearly in the context of two-dimensional images. In the area of macromolecular visualization, the computer graphics technique of ray-tracing can be helpful, but further techniques for emphasizing surface concavity can give clearer perceptions of depth. The notion of diffusion accessibility is well-suited for emphasizing such features of macromolecular surfaces, but a method for calculating diffusion accessibility has not been made widely available. Here we make available a web-based platform that performs the necessary calculation by solving the Laplace equation for steady state diffusion, and produces scripts for visualization that emphasize surface depth by coloring according to diffusion accessibility. The URL is http://services.mbi.ucla.edu/DiffAcc/. © 2015 The Protein Society.

Surface diffusion in homoepitaxial SrTiO3 thin films

NASA Astrophysics Data System (ADS)

Woo, Chang-Su; Chu, Kanghyun; Song, Jong-Hyun; Yang, Chan-Ho; Charm Lab Team; Nano Spintronics Lab Collaboration

The development of growth techniques such as molecular beam epitaxy (MBE) and pulsed laser deposition (PLD) has facilitated growths of complex oxide thin films at the atomic level .... Systematic studies on surface diffusion process of adatoms using theoretical and experimental methods allow us to understand growth mechanism enabling atomically flat thin film surface. In this presentation, we introduce the synthesis of homoepitaxial SrTiO3 thin films using a PLD equipped with reflection of high energy electron diffraction (RHEED). We determine the surface diffusion time as a function of growth temperature and extract the activation energy of diffusion on the surface by in-situ monitoring the RHEED intensity recovery during the film deposition. From the extracted experimental results, we discuss the microscopic mechanism of the diffusion process

Refractive-Index-Based Screening of Membrane-Protein-Mediated Transfer across Biological Membranes

PubMed Central

Brändén, Magnus; Tabaei, Seyed R.; Fischer, Gerhard; Neutze, Richard; Höök, Fredrik

2010-01-01

Abstract Numerous membrane-transport proteins are major drug targets, and therefore a key ingredient in pharmaceutical development is the availability of reliable, efficient tools for membrane transport characterization and inhibition. Here, we present the use of evanescent-wave sensing for screening of membrane-protein-mediated transport across lipid bilayer membranes. This method is based on a direct recording of the temporal variations in the refractive index that occur upon a transfer-dependent change in the solute concentration inside liposomes associated to a surface plasmon resonance (SPR) active sensor surface. The applicability of the method is demonstrated by a functional study of the aquaglyceroporin PfAQP from the malaria parasite Plasmodium falciparum. Assays of the temperature dependence of facilitated diffusion of sugar alcohols on a single set of PfAQP-reconstituted liposomes reveal that the activation energies for facilitated diffusion of xylitol and sorbitol are the same as that previously measured for glycerol transport in the aquaglyceroporin of Escherichia coli (5 kcal/mole). These findings indicate that the aquaglyceroporin selectivity filter does not discriminate sugar alcohols based on their length, and that the extra energy cost of dehydration of larger sugar alcohols, upon entering the pore, is compensated for by additional hydrogen-bond interactions within the aquaglyceroporin pore. PMID:20655840

Regular and irregular deswelling of polyacrylate and hyaluronate gels induced by oppositely charged surfactants.

PubMed

Nilsson, Peter; Hansson, Per

2008-09-15

The deswelling kinetics of macroscopic polyacrylate (PA) gels in solutions of dodecyltrimethylammonium bromide (C(12)TAB) and cetyltrimethylammonium bromide (C(16)TAB), with and without added sodium bromide, as well as hyaluronate (HA) gels in solutions of cetylpyridinium chloride (CPC) are investigated. Additional data are also provided by small-angle X-ray scattering and microgel experiments. The purpose is to study the deswelling behavior of (1) regularly deswelling gels, for which the deswelling is successfully described using a core/shell model earlier employed for microgels, and (2) irregularly deswelling gels, where the gel turns into a balloon-like structure with a dense outer layer surrounding a liquid-filled core. For regularly deswelling gels, the deswelling of PA/C(12)TAB is found to be controlled by diffusion through both stagnant layer and collapsed surface phase, while for PA/C(16)TAB it is found to be controlled mainly by the latter. The difference in deswelling rate between the two is found to correspond to the difference in surfactant diffusion coefficient in the surface phase. Factors found to promote irregular deswelling, described as balloon formation, are rapid surfactant binding, high bromide and surfactant concentration, longer surfactant chain length, and macroscopic gel size. Scattering data indicating a cubic structure for HA/CPC complexes are reported.

Design Rules for Tailoring Antireflection Properties of Hierarchical Optical Structures

DOE PAGES

Leon, Juan J. Diaz; Hiszpanski, Anna M.; Bond, Tiziana C.; ...

2017-05-18

Hierarchical structures consisting of small sub-wavelength features stacked atop larger structures have been demonstrated as an effective means of reducing the reflectance of surfaces. However, optical devices require different antireflective properties depending on the application, and general unifying guidelines on hierarchical structures' design to attain a desired antireflection spectral response are still lacking. The type of reflectivity (diffuse, specular, or total/hemispherical) and its angular- and spectral-dependence are all dictated by the structural parameters. Through computational and experimental studies, guidelines have been devised to modify these various aspects of reflectivity across the solar spectrum by proper selection of the features ofmore » hierarchical structures. In this wavelength regime, micrometer-scale substructures dictate the long-wavelength spectral response and effectively reduce specular reflectance, whereas nanometer-scale substructures dictate primarily the visible wavelength spectral response and reduce diffuse reflectance. Coupling structures having these two length scales into hierarchical arrays impressively reduces surfaces' hemispherical reflectance across a broad spectrum of wavelengths and angles. Furthermore, such hierarchical structures in silicon are demonstrated having an average total reflectance across the solar spectrum of 1.1% (average weighted reflectance of 1% in the 280–2500 nm range of the AM 1.5 G spectrum) and specular reflectance <1% even at angles of incidence as high as 67°.« less

Heating-frequency-dependent thermal conductivity: An analytical solution from diffusive to ballistic regime and its relevance to phonon scattering measurements

NASA Astrophysics Data System (ADS)

Yang, Fan; Dames, Chris

2015-04-01

The heating-frequency dependence of the apparent thermal conductivity in a semi-infinite body with periodic planar surface heating is explained by an analytical solution to the Boltzmann transport equation. This solution is obtained using a two-flux model and gray mean free time approximation and verified numerically with a lattice Boltzmann method and numerical results from the literature. Extending the gray solution to the nongray regime leads to an integral transform and accumulation-function representation of the phonon scattering spectrum, where the natural variable is mean free time rather than mean free path, as often used in previous work. The derivation leads to an approximate cutoff conduction similar in spirit to that of Koh and Cahill [Phys. Rev. B 76, 075207 (2007), 10.1103/PhysRevB.76.075207] except that the most appropriate criterion involves the heater frequency rather than thermal diffusion length. The nongray calculations are consistent with Koh and Cahill's experimental observation that the apparent thermal conductivity shows a stronger heater-frequency dependence in a SiGe alloy than in natural Si. Finally these results are demonstrated using a virtual experiment, which fits the phase lag between surface temperature and heat flux to obtain the apparent thermal conductivity and accumulation function.

Fluid flow enhances the effectiveness of toxin export by aquatic microorganisms: A first-passage perspective on microvilli and the concentration boundary layer

NASA Astrophysics Data System (ADS)

Licata, Nicholas A.; Clark, Aaron

2015-01-01

A central challenge for organisms during development is determining a means to efficiently export toxic molecules from inside the developing embryo. For aquatic microorganisms, the strategies employed should be robust with respect to the variable ocean environment and limit the chances that exported toxins are reabsorbed. As a result, the problem of toxin export is closely related to the physics of mass transport in a fluid. In this paper, we consider a model first-passage problem for the uptake of exported toxins by a spherical embryo. By considering how macroscale fluid turbulence manifests itself on the microscale of the embryo, we determine that fluid flow enhances the effectiveness of toxin export as compared to the case of diffusion-limited transport. In the regime of a large Péclet number, a perturbative solution of the advection-diffusion equation reveals that a concentration boundary layer forms at the surface of the embryo. The model results suggest a functional role for cell surface roughness in the export process, with the thickness of the concentration boundary layer setting the length scale for cell membrane protrusions known as microvilli. We highlight connections between the model results and experiments on the development of sea urchin embryos.

Refractive-index-based screening of membrane-protein-mediated transfer across biological membranes.

PubMed

Brändén, Magnus; Tabaei, Seyed R; Fischer, Gerhard; Neutze, Richard; Höök, Fredrik

2010-07-07

Numerous membrane-transport proteins are major drug targets, and therefore a key ingredient in pharmaceutical development is the availability of reliable, efficient tools for membrane transport characterization and inhibition. Here, we present the use of evanescent-wave sensing for screening of membrane-protein-mediated transport across lipid bilayer membranes. This method is based on a direct recording of the temporal variations in the refractive index that occur upon a transfer-dependent change in the solute concentration inside liposomes associated to a surface plasmon resonance (SPR) active sensor surface. The applicability of the method is demonstrated by a functional study of the aquaglyceroporin PfAQP from the malaria parasite Plasmodium falciparum. Assays of the temperature dependence of facilitated diffusion of sugar alcohols on a single set of PfAQP-reconstituted liposomes reveal that the activation energies for facilitated diffusion of xylitol and sorbitol are the same as that previously measured for glycerol transport in the aquaglyceroporin of Escherichia coli (5 kcal/mole). These findings indicate that the aquaglyceroporin selectivity filter does not discriminate sugar alcohols based on their length, and that the extra energy cost of dehydration of larger sugar alcohols, upon entering the pore, is compensated for by additional hydrogen-bond interactions within the aquaglyceroporin pore. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Ion adsorption at the rutile-water interface: linking molecular and macroscopic properties.

PubMed

Zhang, Z; Fenter, P; Cheng, L; Sturchio, N C; Bedzyk, M J; Predota, M; Bandura, A; Kubicki, J D; Lvov, S N; Cummings, P T; Chialvo, A A; Ridley, M K; Bénézeth, P; Anovitz, L; Palmer, D A; Machesky, M L; Wesolowski, D J

2004-06-08

A comprehensive picture of the interface between aqueous solutions and the (110) surface of rutile (alpha-TiO2) is being developed by combining molecular-scale and macroscopic approaches, including experimental measurements, quantum calculations, molecular simulations, and Gouy-Chapman-Stern models. In situ X-ray reflectivity and X-ray standing-wave measurements are used to define the atomic arrangement of adsorbed ions, the coordination of interfacial water molecules, and substrate surface termination and structure. Ab initio calculations and molecular dynamics simulations, validated through direct comparison with the X-ray results, are used to predict ion distributions not measured experimentally. Potentiometric titration and ion adsorption results for rutile powders having predominant (110) surface expression provide macroscopic constraints of electrical double layer (EDL) properties (e.g., proton release) which are evaluated by comparison with a three-layer EDL model including surface oxygen proton affinities calculated using ab initio bond lengths and partial charges. These results allow a direct correlation of the three-dimensional, crystallographically controlled arrangements of various species (H2O, Na+, Rb+, Ca2+, Sr2+, Zn2+, Y3+, Nd3+) with macroscopic observables (H+ release, metal uptake, zeta potential) and thermodynamic/electrostatic constraints. All cations are found to be adsorbed as "inner sphere" species bonded directly to surface oxygen atoms, while the specific binding geometries and reaction stoichiometries are dependent on ionic radius. Ternary surface complexes of sorbed cations with electrolyte anions are not observed. Finally, surface oxygen proton affinities computed using the MUSIC model are improved by incorporation of ab initio bond lengths and hydrogen bonding information derived from MD simulations. This multitechnique and multiscale approach demonstrates the compatibility of bond-valence models of surface oxygen proton affinities and Stern-based models of the EDL structure, with the actual molecular interfacial distributions observed experimentally, revealing new insight into EDL properties including specific binding sites and hydration states of sorbed ions, interfacial solvent properties (structure, diffusivity, dielectric constant), surface protonation and hydrolysis, and the effect of solution ionic strength.

Fast diffusion of silver in TiO2 nanotube arrays

PubMed Central

Zhang, Wanggang; Liu, Yiming; Zhou, Diaoyu; Wang, Hui

2016-01-01

Summary Using magnetron sputtering and heat treatment, Ag@TiO2 nanotubes are prepared. The effects of heat-treatment temperature and heating time on the evolution of Ag nanofilms on the surface of TiO2 nanotubes and microstructure of Ag nanofilms are investigated by X-ray diffraction, field emission scanning electron microscopy, and transmission electron microscopy. Ag atoms migrate mainly on the outmost surface of the TiO2 nanotubes, and fast diffusion of Ag atoms is observed. The diffusivity for the diffusion of Ag atoms on the outmost surface of the TiO2 nanotubes at 400 °C is 6.87 × 10−18 m2/s, which is three orders of magnitude larger than the diffusivities for the diffusion of Ag through amorphous TiO2 films. The activation energy for the diffusion of Ag atoms on the outmost surface of the TiO2 nanotubes in the temperature range of 300 to 500 °C is 157 kJ/mol, which is less than that for the lattice diffusion of Ag and larger than that for the grain boundary diffusion. The diffusion of Ag atoms leads to the formation of Ag nanocrystals on the outmost surface of TiO2 nanotubes. Probably there are hardly any Ag nanocrystals formed inside the TiO2 nanotubes through the migration of Ag. PMID:27547630

A diffuse radar scattering model from Martian surface rocks

NASA Technical Reports Server (NTRS)

Calvin, W. M.; Jakosky, B. M.; Christensen, P. R.

1987-01-01

Remote sensing of Mars has been done with a variety of instrumentation at various wavelengths. Many of these data sets can be reconciled with a surface model of bonded fines (or duricrust) which varies widely across the surface and a surface rock distribution which varies less so. A surface rock distribution map from -60 to +60 deg latitude has been generated by Christensen. Our objective is to model the diffuse component of radar reflection based on this surface distribution of rocks. The diffuse, rather than specular, scattering is modeled because the diffuse component arises due to scattering from rocks with sizes on the order of the wavelength of the radar beam. Scattering for radio waves of 12.5 cm is then indicative of the meter scale and smaller structure of the surface. The specular term is indicative of large scale surface undulations and should not be causally related to other surface physical properties. A simplified model of diffuse scattering is described along with two rock distribution models. The results of applying the models to a planet of uniform fractional rock coverage with values ranging from 5 to 20% are discussed.

Sound propagation in street canyons: comparison between diffusely and geometrically reflecting boundaries

PubMed

Kang

2000-03-01

This paper systematically compares the sound fields in street canyons with diffusely and geometrically reflecting boundaries. For diffuse boundaries, a radiosity-based theoretical/computer model has been developed. For geometrical boundaries, the image source method has been used. Computations using the models show that there are considerable differences between the sound fields resulting from the two kinds of boundaries. By replacing diffuse boundaries with geometrical boundaries, the sound attenuation along the length becomes significantly less; the RT30 is considerably longer; and the extra attenuation caused by air or vegetation absorption is reduced. There are also some similarities between the sound fields under the two boundary conditions. For example, in both cases the sound attenuation along the length with a given amount of absorption is the highest if the absorbers are arranged on one boundary and the lowest if they are evenly distributed on all boundaries. Overall, the results suggest that, from the viewpoint of urban noise reduction, it is better to design the street boundaries as diffusely reflective rather than acoustically smooth.

Engineering plasmonic nanostructured surfaces by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Ghidelli, Matteo; Mascaretti, Luca; Bricchi, Beatrice Roberta; Zapelli, Andrea; Russo, Valeria; Casari, Carlo Spartaco; Li Bassi, Andrea

2018-03-01

The synthesis and the optical response of gold nanoparticles (NPs) and thin nanostructured films grown by pulsed laser deposition (PLD) are here studied. Different PLD process parameters - including background gas pressure and the number of laser shots as well as post-deposition annealing treatments - have been varied to control the growth of Au NPs and films, thus tuning the surface plasmon characteristics. The mechanisms of NPs and film growth have been explored performing a morphological characterization by Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM), and the correlation with the optical behavior is investigated. We show that the size distribution and the morphology of the as deposited Au NPs depend on growth mechanisms which are controlled by tuning the deposition process, while the optical behavior is strongly affected by the average size and surface density of NPs or by the length of percolated Au domains. Furthermore, nucleation in gas phase has been reported at high (1000 Pa Ar) background pressures, enabling independent control of NP size and coverage, contrary to surface driven NP growth by diffusion and aggregation on substrate.

Diffusion mechanism of non-interacting Brownian particles through a deformed substrate

NASA Astrophysics Data System (ADS)

Arfa, Lahcen; Ouahmane, Mehdi; El Arroum, Lahcen

2018-02-01

We study the diffusion mechanism of non-interacting Brownian particles through a deformed substrate. The study is done at low temperature for different values of the friction. The deformed substrate is represented by a periodic Remoissenet-Peyrard potential with deformability parameter s. In this potential, the particles (impurity, adatoms…) can diffuse. We ignore the interactions between these mobile particles consider them merely as non-interacting Brownian particles and this system is described by a Fokker-Planck equation. We solve this equation numerically using the matrix continued fraction method to calculate the dynamic structure factor S(q , ω) . From S(q , ω) some relevant correlation functions are also calculated. In particular, we determine the half-width line λ(q) of the peak of the quasi-elastic dynamic structure factor S(q , ω) and the diffusion coefficient D. Our numerical results show that the diffusion mechanism is described, depending on the structure of the potential, either by a simple jump diffusion process with jump length close to the lattice constant a or by a combination of a jump diffusion model with jump length close to lattice constant a and a liquid-like motion inside the unit cell. It shows also that, for different friction regimes and various potential shapes, the friction attenuates the diffusion mechanism. It is found that, in the high friction regime, the diffusion process is more important through a deformed substrate than through a non-deformed one.

Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties

NASA Astrophysics Data System (ADS)

Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C.

2014-11-01

We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013), 10.1103/PhysRevLett.111.110601]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their behavior is similar to that of interacting particles in porous materials. Different expressions for the particle jump rates are derived from transition-state theory. Which expression should be used depends on the strength of the interparticle interactions. Analytical expressions for the self- and transport diffusion are derived when correlations, caused by memory effects in the environment, are neglected. The diffusive behavior is studied numerically with kinetic Monte Carlo (kMC) simulations, which reproduces the diffusion including correlations. The effect of correlations is studied by comparing the analytical expressions with the kMC simulations. It is found that the Maxwell-Stefan diffusion can exceed the self-diffusion. To our knowledge, this is the first time this is observed. The diffusive behavior in one-dimensional and higher-dimensional systems is qualitatively the same, with the effect of correlations decreasing for increasing dimension. The length dependence of both the self- and transport diffusion is studied for one-dimensional systems. For long lengths the self-diffusion shows a 1 /L dependence. Finally, we discuss when agreement with experiments and simulations can be expected. The assumption that particles in different cavities do not interact is expected to hold quantitatively at low and medium particle concentrations if the particles are not strongly interacting.

Diffusion of volatile organics through porous snow: impact of surface adsorption and grain boundaries

NASA Astrophysics Data System (ADS)

Bartels-Rausch, T.; Wren, S. N.; Schreiber, S.; Riche, F.; Schneebeli, M.; Ammann, M.

2013-03-01

Release of trace gases from surface snow on Earth drives atmospheric chemistry, especially in the polar regions. The gas-phase diffusion of methanol and of acetone through the interstitial air of snow was investigated in a well-controlled laboratory study in the temperature range of 223 to 263 K. The aim of this study was to evaluate how the structure of the snowpack, the interaction of the trace gases with the snow surface, and the grain boundaries influence the diffusion on timescales up to 1 h. The diffusive loss of these two volatile organics into packed snow samples was measured using a chemical ionization mass spectrometer. The structure of the snow was analyzed by means of X-ray computed micro-tomography. The observed diffusion profiles could be well described based on gas-phase diffusion and the known structure of the snow sample at temperatures ≥ 253 K. At colder temperatures surface interactions start to dominate the diffusive transport. Parameterizing these interactions in terms of adsorption to the solid ice surface, i.e. using temperature dependent air-ice partitioning coefficients, better described the observed diffusion profiles than the use of air-liquid partitioning coefficients. No changes in the diffusive fluxes were observed by increasing the number of grain boundaries in the snow sample by a factor of 7, indicating that for these volatile organic trace gases, uptake into grain boundaries does not play a role on the timescale of diffusion through porous surface snow. In conclusion, we have shown that the diffusivity can be predicted when the structure of the snowpack and the partitioning of the trace gas to solid ice is known.

Extending the Diffuse Layer Model of Surface Acidity Constant Behavior: IV. Diffuse Layer Charge/Potential Relationships

EPA Science Inventory

Most current electrostatic surface complexation models describing ionic binding at the particle/water interface rely on the use of Poisson - Boltzmann (PB) theory for relating diffuse layer charge densities to diffuse layer electrostatic potentials. PB theory is known to contain ...

Slow-proton reemission from noble-gas solids

NASA Astrophysics Data System (ADS)

Mills, A. P., Jr.; Leventhal, M.; Lanzerotti, M. Y.; Zuckerman, D. M.; Gullikson, E. M.; Brandes, G. R.

1990-10-01

A 1-μsec pulsed proton beam is being used to study H+ thermalization and reemission from solid target surfaces in ultrahigh vacuum in order to help clarify analogous experiments using muon beams. Using a solid Ar target, vapor deposited on an ~=6-K Cu substrate, the reemission probability Y is 6×10-4 at a proton implantation energy E+H=1.4 keV and falls with increasing energy to 3×10-4 at E+H=5 keV and 2×10-4 at E+H=15 keV. Ne exhibits a 25% larger yield, while the yield for Kr is a factor of 4 lower. The reemitted protons are slow, with kinetic energies of order 1 eV. The reemitted proton yield Y decreases with an ~=100-m time constant, presumably due to deposition of neutral contaminants associated with the incoming beam, and thus ruling out the possibility that the slow protons originate from surface contaminants. For Ar, the observed variation of Y with E+H is interpreted with the help of a Monte Carlo calculation of the stopping and backscattering of the incident protons. The observed magnitude of Y is significantly greater than the calculated backscattering yield at the higher values of E+H. We therefore hypothesize that few-eV protons in the solid, which are considered ``stopped'' by the simulation, can diffuse a significant distance and escape into the vacuum. In our model, the diffusion length for few-eV protons in pristine solid Ar, λ0, is found to be λ0=(50+70-20) Å. However, the diffusion length we deduce from our measurements and simulations varies with E+H, possibly because of the interaction of the slow proton with its implantation trail. The vacancy density is computed to be too low for few-eV protons near the surface to be trapped at defects created by the energetic incoming particle. On the other hand, the proton neutralization probability could be dependent on the availability of free electrons in the ion trail of the implanted particle [O. E. Mogensen, J. Chem. Phys. 60, 998 (1974)]. Extension of our model to the case of positive muons suggests that an experiment to moderate 4-MeV μ+ with a solid Ar target [Harshman et al., Phys. Rev. B 36, 8850 (1987)] may have underestimated λ0 for μ+ due to sample impurities. It appears that the prospects for making a slow μ+ beam are better than we thought, but that remoderation of a few-keV μ+ beam using an Ar surface might have an efficiency less than 1% due to the high muonium-formation probability.

Surface diffusion of a carbon-adatom on Au(110) surfaces

NASA Astrophysics Data System (ADS)

Kim, E.; Safavi-Naini, A.; Hite, D. A.; McKay, K. S.; Pappas, D. P.; Weck, P. F.; Sadeghpour, H. R.

We have investigated the surface diffusion of carbon-adatom on gold surfaces using density functional theory and detailed scanning probe microscopy. The decoherence of trapped-ion quantum gates due to heating of their motional modes is a fundamental science and engineering problem. In an effort to understand heating at the trap-electrode surfaces, we investigate the possible source of noise by focusing on the diffusion of carbon-containing adsorbates onto the Au(110) surface. In this study, we show how the diffusive motion of carbon adatom on gold surface significantly affects the energy landscape and adatom dipole moment variation. A simple model for the diffusion noise, which varies quadratically with the variation of the dipole moment, qualitatively reproduces the measured noise spectrum, and the estimate of the noise spectral density is in accord with measured values. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the United States Department of Energy's NNSA under Contract DE-AC04-94AL85000.

Formation of polymeric toroidal-spiral particles.

PubMed

Sharma, Vishal; Szymusiak, Magdalena; Shen, Hao; Nitsche, Ludwig C; Liu, Ying

2012-01-10

Compared to spherical matrices, particles with well-defined internal structure provide large surface to volume ratio and predictable release kinetics for the encapsulated payloads. We describe self-assembly of polymeric particles, whereby competitive kinetics of viscous sedimentation, diffusion, and cross-linking yield a controllable toroidal-spiral (T-S) structure. Precursor polymeric droplets are splashed through the surface of a less dense, miscible solution, after which viscous forces entrain the surrounding bulk solution into the sedimenting polymer drop to form T-S channels. The intricate structure forms because low interfacial tension between the two miscible solutions is dominated by viscous forces. The biocompatible polymer, poly(ethylene glycol) diacrylate (PEG-DA), is used to demonstrate the solidification of the T-S shapes at various configurational stages by UV-triggered cross-linking. The dimensions of the channels are controlled by Weber number during impact on the surface, and Reynolds number and viscosity ratio during subsequent sedimentation. We anticipate applications of the T-S particle in drug delivery, wherein diffusion through these T-S channels and the polymer matrix would offer parallel release pathways for molecules of different sizes. Polyphosphate, as a model macromolecule, is entrained in T-S particles during their formation. The in vitro release kinetics of polyphosphate from the T-S particles with various channel length and width is reported. In addition, self-assembly of T-S particles occurs in a single step under benign conditions for delicate macromolecules, and appears conducive to scaleup.

Influence of Hydrogen Bonding on the Surface Diffusion of Molecular Glasses: Comparison of Three Triazines

DOE PAGES

Chen, Yinshan; Zhu, Men; Laventure, Audrey; ...

2017-06-26

Surface grating decay measurements have been performed on three closely related molecular glasses to study the effect of intermolecular hydrogen bonds on surface diffusion. The three molecules are derivatives of bis(3,5-dimethyl-phenylamino)-1,3,5-triazine and differ only in the functional group R at the 2-position, with R being C 2H 5, OCH 3, and NHCH 3, and referred to as “Et”, “OMe”, and “NHMe”, respectively. Of the three molecules, NHMe forms more extensive intermolecular hydrogen bonds than Et and OMe and was found to have slower surface diffusion. For Et and OMe, surface diffusion is so fast that it replaces viscous flow asmore » the mechanism of surface grating decay as temperature is lowered. In contrast, no such transition was observed for NHMe under the same conditions, indicating significantly slower surface diffusion. This result is consistent with the previous finding that extensive intermolecular hydrogen bonds slow down surface diffusion in molecular glasses and is attributed to the persistence of hydrogen bonds even in the surface environment. Here, this result is also consistent with the lower stability of the vapor-deposited glass of NHMe relative to those of Et and OMe and supports the view that surface mobility controls the stability of vapor-deposited glasses.« less

Classification Order of Surface-Confined Intermixing at Epitaxial Interface

NASA Astrophysics Data System (ADS)

Michailov, M.

The self-organization phenomena at epitaxial interface hold special attention in contemporary material science. Being relevant to the fundamental physical problem of competing, long-range and short-range atomic interactions in systems with reduced dimensionality, these phenomena have found exacting academic interest. They are also of great technological importance for their ability to bring spontaneous formation of regular nanoscale surface patterns and superlattices with exotic properties. The basic phenomenon involved in this process is surface diffusion. That is the motivation behind the present study which deals with important details of diffusion scenarios that control the fine atomic structure of epitaxial interface. Consisting surface imperfections (terraces, steps, kinks, and vacancies), the interface offers variety of barriers for surface diffusion. Therefore, the adatoms and clusters need a certain critical energy to overcome the corresponding diffusion barriers. In the most general case the critical energies can be attained by variation of the system temperature. Hence, their values define temperature limits of system energy gaps associated with different diffusion scenarios. This systematization imply classification order of surface alloying: blocked, incomplete, and complete. On that background, two diffusion problems, related to the atomic-scale surface morphology, will be discussed. The first problem deals with diffusion of atomic clusters on atomically smooth interface. On flat domains, far from terraces and steps, we analyzed the impact of size, shape, and cluster/substrate lattice misfit on the diffusion behavior of atomic clusters (islands). We found that the lattice constant of small clusters depends on the number N of building atoms at 1 < N ≤ 10. In heteroepitaxy, this effect of variable lattice constant originates from the enhanced charge transfer and the strong influence of the surface potential on cluster atomic arrangement. At constant temperature, the variation of the lattice constant leads to variable misfit which affects the island migration. The cluster/substrate commensurability influences the oscillation behavior of the diffusion coefficient caused by variation in the cluster shape. We discuss the results in a physical model that implies cluster diffusion with size-dependent cluster/substrate misfit. The second problem is devoted to diffusion phenomena in the vicinity of atomic terraces on stepped or vicinal surfaces. Here, we develop a computational model that refines important details of diffusion behavior of adatoms accounting for the energy barriers at specific atomic sites (smooth domains, terraces, and steps) located on the crystal surface. The dynamic competition between energy gained by mixing and substrate strain energy results in diffusion scenario where adatoms form alloyed islands and alloyed stripes in the vicinity of terrace edges. Being in agreement with recent experimental findings, the observed effect of stripe and island alloy formation opens up a way regular surface patterns to be configured at different atomic levels on the crystal surface. The complete surface alloying of the entire interface layer is also briefly discussed with critical analysis and classification of experimental findings and simulation data.

Surface conservation laws at microscopically diffuse interfaces.

PubMed

Chu, Kevin T; Bazant, Martin Z

2007-11-01

In studies of interfaces with dynamic chemical composition, bulk and interfacial quantities are often coupled via surface conservation laws of excess surface quantities. While this approach is easily justified for microscopically sharp interfaces, its applicability in the context of microscopically diffuse interfaces is less theoretically well-established. Furthermore, surface conservation laws (and interfacial models in general) are often derived phenomenologically rather than systematically. In this article, we first provide a mathematically rigorous justification for surface conservation laws at diffuse interfaces based on an asymptotic analysis of transport processes in the boundary layer and derive general formulae for the surface and normal fluxes that appear in surface conservation laws. Next, we use nonequilibrium thermodynamics to formulate surface conservation laws in terms of chemical potentials and provide a method for systematically deriving the structure of the interfacial layer. Finally, we derive surface conservation laws for a few examples from diffusive and electrochemical transport.

Influences of Exciton Diffusion and Exciton-Exciton Annihilation on Photon Emission Statistics of Carbon Nanotubes.

PubMed

Ma, Xuedan; Roslyak, Oleskiy; Duque, Juan G; Pang, Xiaoying; Doorn, Stephen K; Piryatinski, Andrei; Dunlap, David H; Htoon, Han

2015-07-03

Pump-dependent photoluminescence imaging and second-order photon correlation studies have been performed on individual single-walled carbon nanotubes (SWCNTs) at room temperature. These studies enable the extraction of both the exciton diffusion constant and the Auger recombination coefficient. A linear correlation between these parameters is attributed to the effect of environmental disorder in setting the exciton mean free path and capture-limited Auger recombination at this length scale. A suppression of photon antibunching is attributed to the creation of multiple spatially nonoverlapping excitons in SWCNTs, whose diffusion length is shorter than the laser spot size. We conclude that complete antibunching at room temperature requires an enhancement of the exciton-exciton annihilation rate that may become realizable in SWCNTs allowing for strong exciton localization.

Influence of deformed surface diffuseness on alpha decay half-lives of actinides and lanthanides

NASA Astrophysics Data System (ADS)

Dahmardeh, S.; Alavi, S. A.; Dehghani, V.

2017-07-01

By using semiclassical WKB method and taking into account the Bohr-Sommerfeld quantization condition, the alpha decay half-lives of some deformed lanthanide (with 151 ≤ A ≤ 160 and 66 ≤ Z ≤ 73) and rare-earth nuclei (with 217 ≤ A ≤ 261 and 92 ≤ Z ≤ 104) have been calculated. The effective potential has been considered as sum of deformed Woods-Saxon nuclear potential, deformed Coulomb potential, and centrifugal potential. The influence of deformed surface diffuseness on the potential barrier, transmission coefficient at each angle, assault frequency, and alpha decay half-lives has been investigated. Good agreement between calculated half-lives with deformed surface diffuseness and experiment is observed. Relative differences between calculated half-lives with deformed surface diffuseness and with constant surface diffuseness were significant.

Alternation in the gap-junctional intercellular communication capacity during the maturation of osteocytes in the embryonic chick calvaria.

PubMed

Wang, Ziyi; Odagaki, Naoya; Tanaka, Tomoyo; Hashimoto, Mana; Nakamura, Masahiro; Hayano, Satoru; Ishihara, Yoshihito; Kawanabe, Noriaki; Kamioka, Hiroshi

2016-10-01

The intercellular network of cell-cell communication among osteocytes is mediated by gap junctions. Gap junctional intercellular communication (GJIC) is thought to play an important role in the integration and synchronization of bone remodeling. To further understand the mechanism of bone development it is important to quantify the difference in the GJIC capacity of young and developmentally mature osteocytes. We first established an embryonic chick calvaria growth model to show the growth of the calvaria in embryos at 13 to 21days of age. We then applied a fluorescence recovery after photobleaching (FRAP) technique to compare the difference in the GJIC capacity of young osteocytes with that of developmentally mature osteocytes. Finally, we quantified the dye (Calcein) diffusion from the FRAP data using a mathematic model of simple diffusion which was also used to identify simple diffusion GJIC pattern cells (fitted model) and accelerated diffusion GJIC pattern cells (non-fitted model). The relationship between the longest medial-lateral length of the calvaria (frontal bone) and the embryonic age fit a logarithmic growth model: length=5.144×ln(day)-11.340. The morphometric data during osteocyte differentiation showed that the cellular body becomes more spindle-shaped and that the cell body volume decreased by approximately 22% with an increase in the length of the processes between the cells. However, there were no significant differences in the cellular body surface area or in the distance between the mass centres of the cells. The dye-displacement rate in young osteocytes was significantly higher than that in developmentally mature osteocytes: dye displacement only occurred in 26.88% of the developmentally mature osteocytes, while it occurred in 64.38% of the young osteocytes. Additionally, in all recovered osteocytes, 36% of the developmentally mature osteocytes comprised non-fitted model cells while 53.19% of the young osteocytes were the non-fitted model, which indicates the active transduction of dye molecules. However, there were no statistically significant differences between the young and developmentally mature osteocytes with regard to the diffusion coefficient, permeability coefficient, or permeance of the osteocyte processes, which were 3.93±3.77 (×10(-8)cm(2)/s), 5.12±4.56 (×10(-5)cm(2)/s) and 2.99±2.47 (×10(-13)cm(2)/s) (mean±SD), respectively. These experiments comprehensively quantified the GJIC capacity in the embryonic chick calvaria and indicated that the cell-cell communication capacity of the osteocytes in the embryonic chick calvaria was related to their development. Copyright © 2016 Elsevier Inc. All rights reserved.

High Aspect Ratio Semiconductor Heterojunction Solar Cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Redwing, Joan; Mallouk, Tom; Mayer, Theresa

2013-05-17

The project focused on the development of high aspect ratio silicon heterojunction (HARSH) solar cells. The solar cells developed in this study consisted of high density vertical arrays of radial junction silicon microwires/pillars formed on Si substrates. Prior studies have demonstrated that vertical Si wire/pillar arrays enable reduced reflectivity and improved light trapping characteristics compared to planar solar cells. In addition, the radial junction structure offers the possibility of increased carrier collection in solar cells fabricated using material with short carrier diffusion lengths. However, the high junction and surface area of radial junction Si wire/pillar array devices can be problematicmore » and lead to increased diode leakage and enhanced surface recombination. This study investigated the use of amorphous hydrogenated Si in the form of a heterojunction-intrinsic-thin layer (HIT) structure as a junction formation method for these devices. The HIT layer structure has widely been employed to reduce surface recombination in planar crystalline Si solar cells. Consequently, it was anticipated that it would also provide significant benefits to the performance of radial junction Si wire/pillar array devices. The overall goals of the project were to demonstrate a HARSH cell with a HIT-type structure in the radial junction Si wire/pillar array configuration and to develop potentially low cost pathways to fabricate these devices. Our studies demonstrated that the HIT structure lead to significant improvements in the open circuit voltage (V oc>0.5) of radial junction Si pillar array devices compared to devices fabricated using junctions formed by thermal diffusion or low pressure chemical vapor deposition (LPCVD). In addition, our work experimentally demonstrated that the radial junction structure lead to improvements in efficiency compared to comparable planar devices for devices fabricated using heavily doped Si that had reduced carrier diffusion lengths. Furthermore, we made significant advances in employing the bottom-up vapor-liquid-solid (VLS) growth technique for the fabrication of the Si wire arrays. Our work elucidated the effects of growth conditions and substrate pattern geometry on the growth of large area Si microwire arrays grown with SiCl4. In addition, we also developed a process to grow p-type Si nanowire arrays using aluminum as the catalyst metal instead of gold. Finally, our work demonstrated the feasibility of growing vertical arrays of Si wires on non-crystalline glass substrates using polycrystalline Si template layers. The accomplishments demonstrated in this project will pave the way for future advances in radial junction wire array solar cells.« less

Dynamics of liquid bridges inside microchannels subject to pure oscillatory flows

NASA Astrophysics Data System (ADS)

Ahmadlouydarab, Majid; Azaiez, Jalel; Chen, Zhangxin

2014-11-01

We report on 2D simulations of liquid bridges' dynamics in microchannels of uniform wettability and subject to external oscillatory flows. The flow equations were solved using the Cahn-Hilliard diffuse-interface formulation and the finite element method with unstructured grid. It was found that regardless of the wettability properties of the microchannel walls, there is a critical frequency above which the bridge shows perpetual periodic oscillatory motion. Below that critical frequency, the liquid bridge ruptures when the channel walls are philic and detaches from the surface when they are phobic. This critical frequency depends on the viscosity ratio, oscillation amplitude and geometric aspect ratio of the bridge. It was also found that the flow velocity is out of phase with the footprint/throat lengths and that the latter two show a phase difference. These differences were explained in terms of the motion of the two contact lines on the substrates and the deformation of the fluid-fluid interfaces. To characterize the behavior of the liquid bridge, two quantitative parameters; the liquid bridge-solid interfacial length and the length of the throat of the liquid bridge were used. Variations of the interfacial morphology development of the bridge were analyzed to understand the bridge response.

Slowdown of surface diffusion during early stages of bacterial colonization

NASA Astrophysics Data System (ADS)

Vourc'h, T.; Peerhossaini, H.; Léopoldès, J.; Méjean, A.; Chauvat, F.; Cassier-Chauvat, C.

2018-03-01

We study the surface diffusion of the model cyanobacterium Synechocystis sp. PCC6803 during the incipient stages of cell contact with a glass surface in the dilute regime. We observe a twitching motility with alternating immobile tumble and mobile run periods, resulting in a normal diffusion described by a continuous-time random walk with a coefficient of diffusion D . Surprisingly, D is found to decrease with time down to a plateau. This is observed only when the cyanobacterial cells are able to produce released extracellular polysaccharides, as shown by a comparative study between the wild-type strain and various polysaccharides-depleted mutants. The analysis of the trajectories taken by the bacterial cells shows that the temporal characteristics of their intermittent motion depend on the instantaneous fraction of visited sites during diffusion. This describes quantitatively the time dependence of D , related to the progressive surface coverage by the polysaccharides. The observed slowdown of the surface diffusion may constitute a basic precursor mechanism for microcolony formation and provides clues for controlling biofilm formation.

Spatial Structure of a Braided River: Metric Resolution Hydrodynamic Modeling Reveals What SWOT Might See

NASA Astrophysics Data System (ADS)

Schubert, J.; Sanders, B. F.; Andreadis, K.

2013-12-01

The Surface Water and Ocean Topography (SWOT) mission, currently under study by NASA (National Aeronautics and Space Administration) and CNES (Centre National d'Etudes Spatiales), is designed to provide global spatial measurements of surface water properties at resolutions better than 10 m and with centimetric accuracy. The data produced by SWOT will include irregularly spaced point clouds of the water surface height, with point spacings from roughly 2-50 m depending on a point's location within SWOT's swath. This could offer unprecedented insight into the spatial structure of rivers. Features that may be resolved include backwater profiles behind dams, drawdown profiles, uniform flow sections, critical flow sections, and even riffle-pool flow structures. In the event that SWOT scans a river during a major flood, it becomes possible to delineate the limits of the flood as well as the spatial structure of the water surface elevation, yielding insight into the dynamic interaction of channels and flood plains. The Platte River in Nebraska, USA, is a braided river with a width and slope of approximately 100 m and 100 cm/km, respectively. A 1 m resolution Digital Terrain Model (DTM) of the river basin, based on airborne lidar collected during low-flow conditions, was used to parameterize a two-dimensional, variable resolution, unstructured grid, hydrodynamic model that uses 3 m resolution triangles in low flow channels and 10 m resolution triangles in the floodplain. Use of a fine resolution mesh guarantees that local variability in topography is resolved, and after applying the hydrodynamic model, the effects of topographic variability are expressed as variability in the water surface height, depth-averaged velocity and flow depth. Flow is modeled over a reach length of 10 km for multi-day durations to capture both frequent (diurnal variations associated with regulated flow) and infrequent (extreme flooding) flow phenomena. Model outputs reveal a number of interesting features, including a high degree of variability in the water depth and velocity and lesser variability in the free-surface profile and river discharge. Hydraulic control sections are also revealed, and shown to depend on flow stage. Reach-averaging of model output is applied to study the macro-scale balance of forces in this system, and the scales at which such a force balance is appropriate. We find that the reach-average slope exhibits a declining reach-length dependence with increasing reach length, up to reach lengths of 1 km. Hence, 1 km appears to be the minimum appropriate length for reach-averaging, and at this scale, a diffusive-wave momentum balance is a reasonable approximation suitable for emerging models of discharge estimation that rely only on SWOT-observable river properties (width, height, slope, etc.).

The effect of diffusion induced lattice stress on the open-circuit voltage in silicon solar cells

NASA Technical Reports Server (NTRS)

Weizer, V. G.; Godlewski, M. P.

1984-01-01

It is demonstrated that diffusion induced stresses in low resistivity silicon solar cells can significantly reduce both the open-circuit voltage and collection efficiency. The degradation mechanism involves stress induced changes in both the minority carrier mobility and the diffusion length. Thermal recovery characteristics indicate that the stresses are relieved at higher temperatures by divacancy flow (silicon self diffusion). The level of residual stress in as-fabricated cells was found to be negligible in the cells tested.

Effective diffusion coefficient including the Marangoni effect

NASA Astrophysics Data System (ADS)

Kitahata, Hiroyuki; Yoshinaga, Natsuhiko

2018-04-01

Surface-active molecules supplied from a particle fixed at the water surface create a spatial gradient of the molecule concentration, resulting in Marangoni convection. Convective flow transports the molecules far from the particle, enhancing diffusion. We analytically derive the effective diffusion coefficient associated with the Marangoni convection rolls. The resulting estimated effective diffusion coefficient is consistent with our numerical results and the apparent diffusion coefficient measured in experiments.

Surface transport mechanisms in molecular glasses probed by the exposure of nano-particles

NASA Astrophysics Data System (ADS)

Ruan, Shigang; Musumeci, Daniele; Zhang, Wei; Gujral, Ankit; Ediger, M. D.; Yu, Lian

2017-05-01

For a glass-forming liquid, the mechanism by which its surface contour evolves can change from bulk viscous flow at high temperatures to surface diffusion at low temperatures. We show that this mechanistic change can be conveniently detected by the exposure of nano-particles native in the material. Despite its high chemical purity, the often-studied molecular glass indomethacin contains low-concentration particles approximately 100 nm in size and 0.3% in volume fraction. Similar particles are present in polystyrene, another often-used model. In the surface-diffusion regime, particles are gradually exposed in regions vacated by host molecules, for example, the peak of a surface grating and the depletion zone near a surface crystal. In the viscous-flow regime, particle exposure is not observed. The surface contour around an exposed particle widens over time in a self-similar manner as 3 (Bt)1/4, where B is a surface mobility constant and the same constant obtained by surface grating decay. This work suggests that in a binary system composed of slow- and fast-diffusing molecules, slow-diffusing molecules can be stranded in surface regions vacated by fast-diffusing molecules, effectively leading to phase separation.

Emission of positronium in a nanometric PMMA film

NASA Astrophysics Data System (ADS)

Palacio, C. A.; De Baerdemaeker, J.; Van Thourhout, D.; Dauwe, C.

2008-10-01

Positron beam experiments have been performed for the first time on a self-supporting polymethyl metacrylate (PMMA) film of 310 nm-thick made by spin coating. The positronium (Ps) emission from the PMMA surface is studied as a function of the positron implantation energy by using Doppler profile spectroscopy and Compton-to-peak ratio analysis. When the sample and the Ge-detector are perpendicular to the positron beam, the emission of para-positronium ( p-Ps) is detected as a narrow central peak. By rotating the sample 45° with respect to the beam, the emission of p-Ps is detected as a blue-shifted fly-away peak. The bulk Ps fraction, the efficiency for the emission of Ps by picking up an electron from the surface, and the diffusion lengths of positrons (thermal and or epithermal), p-Ps and ortho-positronium ( o-Ps) are obtained.

Measurement of Flaw Size From Thermographic Data

NASA Technical Reports Server (NTRS)

Winfree, William P.; Zalameda, Joseph N.; Howell, Patricia A.

2015-01-01

Simple methods for reducing the pulsed thermographic responses of delaminations tend to overestimate the size of the delamination, since the heat diffuses in the plane parallel to the surface. The result is a temperature profile over the delamination which is larger than the delamination size. A variational approach is presented for reducing the thermographic data to produce an estimated size for a flaw that is much closer to the true size of the delamination. The method is based on an estimate for the thermal response that is a convolution of a Gaussian kernel with the shape of the flaw. The size is determined from both the temporal and spatial thermal response of the exterior surface above the delamination and constraints on the length of the contour surrounding the delamination. Examples of the application of the technique to simulation and experimental data are presented to investigate the limitations of the technique.

Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial and heteroepitaxial n-GaN [Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial n-GaN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Collins, K. C.; Armstrong, Andrew M.; Allerman, Andrew A.

Here, inherent advantages of wide bandgap materials make GaN-based devices attractive for power electronics and applications in radiation environments. Recent advances in the availability of wafer-scale, bulk GaN substrates have enabled the production of high quality, low defect density GaN devices, but fundamental studies of carrier transport and radiation hardness in such devices are lacking. Here, we report measurements of the hole diffusion length in low threading dislocation density (TDD), homoepitaxial n-GaN, and high TDD heteroepitaxial n-GaN Schottky diodes before and after irradiation with 2.5 MeV protons at fluences of 4–6 × 10 13 protons/cm 2. We also characterize themore » specimens before and after irradiation using electron beam-induced-current (EBIC) imaging, cathodoluminescence, deep level optical spectroscopy (DLOS), steady-state photocapacitance, and lighted capacitance-voltage (LCV) techniques. We observe a substantial reduction in the hole diffusion length following irradiation (50%–55%) and the introduction of electrically active defects which could be attributed to gallium vacancies and associated complexes (V Ga-related), carbon impurities (C-related), and gallium interstitials (Ga i). EBIC imaging suggests long-range migration and clustering of radiation-induced point defects over distances of ~500 nm, which suggests mobile Ga i. Following irradiation, DLOS and LCV reveal the introduction of a prominent optical energy level at 1.9 eV below the conduction band edge, consistent with the introduction of Ga i.« less

Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial and heteroepitaxial n-GaN [Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial n-GaN

DOE PAGES

Collins, K. C.; Armstrong, Andrew M.; Allerman, Andrew A.; ...

2017-12-21

Here, inherent advantages of wide bandgap materials make GaN-based devices attractive for power electronics and applications in radiation environments. Recent advances in the availability of wafer-scale, bulk GaN substrates have enabled the production of high quality, low defect density GaN devices, but fundamental studies of carrier transport and radiation hardness in such devices are lacking. Here, we report measurements of the hole diffusion length in low threading dislocation density (TDD), homoepitaxial n-GaN, and high TDD heteroepitaxial n-GaN Schottky diodes before and after irradiation with 2.5 MeV protons at fluences of 4–6 × 10 13 protons/cm 2. We also characterize themore » specimens before and after irradiation using electron beam-induced-current (EBIC) imaging, cathodoluminescence, deep level optical spectroscopy (DLOS), steady-state photocapacitance, and lighted capacitance-voltage (LCV) techniques. We observe a substantial reduction in the hole diffusion length following irradiation (50%–55%) and the introduction of electrically active defects which could be attributed to gallium vacancies and associated complexes (V Ga-related), carbon impurities (C-related), and gallium interstitials (Ga i). EBIC imaging suggests long-range migration and clustering of radiation-induced point defects over distances of ~500 nm, which suggests mobile Ga i. Following irradiation, DLOS and LCV reveal the introduction of a prominent optical energy level at 1.9 eV below the conduction band edge, consistent with the introduction of Ga i.« less

Characteristics of the Martian atmosphere surface layer

NASA Technical Reports Server (NTRS)

Clow, G. D.; Haberle, R. M.

1990-01-01

Elements of various terrestrial boundary layer models are extended to Mars in order to estimate sensible heat, latent heat, and momentum fluxes within the Martian atmospheric surface ('constant flux') layer. The atmospheric surface layer consists of an interfacial sublayer immediately adjacent to the ground and an overlying fully turbulent surface sublayer where wind-shear production of turbulence dominates buoyancy production. Within the interfacial sublayer, sensible and latent heat are transported by non-steady molecular diffusion into small-scale eddies which intermittently burst through this zone. Both the thickness of the interfacial sublayer and the characteristics of the turbulent eddies penetrating through it depend on whether airflow is aerodynamically smooth or aerodynamically rough, as determined by the Roughness Reynold's number. Within the overlying surface sublayer, similarity theory can be used to express the mean vertical windspeed, temperature, and water vapor profiles in terms of a single parameter, the Monin-Obukhov stability parameter. To estimate the molecular viscosity and thermal conductivity of a CO2-H2O gas mixture under Martian conditions, parameterizations were developed using data from the TPRC Data Series and the first-order Chapman-Cowling expressions; the required collision integrals were approximated using the Lenard-Jones potential. Parameterizations for specific heat and binary diffusivity were also determined. The Brutsart model for sensible and latent heat transport within the interfacial sublayer for both aerodynamically smooth and rough airflow was experimentally tested under similar conditions, validating its application to Martian conditions. For the surface sublayer, the definition of the Monin-Obukhov length was modified to properly account for the buoyancy forces arising from water vapor gradients in the Martian atmospheric boundary layer. It was found that under most Martian conditions, the interfacial and surface sublayers offer roughly comparable resistance to sensible heat and water vapor transport and are thus both important in determining the associated fluxes.

A temperature-programmed X-ray photoelectron spectroscopy (TPXPS) study of chlorine adsorption and diffusion on Ag(1 1 1)

NASA Astrophysics Data System (ADS)

Piao, H.; Adib, K.; Barteau, Mark A.

2004-05-01

Synchrotron-based temperature programmed X-ray photoelectron spectroscopy (TPXPS) has been used to investigate the surface chloridation of Ag(1 1 1) to monolayer coverages. At 100 K both atomic and molecular chlorine species are present on the surface; adsorption at 300 K or annealing the adlayer at 100 K to this temperature generates adsorbed Cl atoms. As the surface is heated from 300 to 600 K, chlorine atoms diffuse below the surface, as demonstrated by attenuation of the Cl2p signals in TPXPS experiments. Quantitative analysis of the extent of attenuation is consistent with chlorine diffusion below the topmost silver layer. For coverages in the monolayer and sub-monolayer regime, chlorine diffusion to and from the bulk appears not to be significant, in contrast to previous results obtained at higher chlorine loadings. Chlorine is removed from the surface at 650-780 K by desorption as AgCl. These results demonstrate that chlorine diffusion beneath the surface does occur at coverages and temperatures relevant to olefin epoxidation processes carried out on silver catalysts with chlorine promoters. The surface sensitivity advantages of synchrotron-based XPS experiments were critical to observing Cl diffusion to the sub-surface at low coverages.

Apparent Activation Energies Associated with Protein Dynamics on Hydrophobic and Hydrophilic Surfaces

PubMed Central

Langdon, Blake B.; Kastantin, Mark; Schwartz, Daniel K.

2012-01-01

With the use of single-molecule total internal reflection fluorescence microscopy (TIRFM), the dynamics of bovine serum albumin (BSA) and human fibrinogen (Fg) at low concentrations were observed at the solid-aqueous interface as a function of temperature on hydrophobic trimethylsilane (TMS) and hydrophilic fused silica (FS) surfaces. Multiple dynamic modes and populations were observed and characterized by their surface residence times and squared-displacement distributions (surface diffusion). Characteristic desorption and diffusion rates for each population/mode were generally found to increase with temperature, and apparent activation energies were determined from Arrhenius analyses. The apparent activation energies of desorption and diffusion were typically higher on FS than on TMS surfaces, suggesting that protein desorption and mobility were hindered on hydrophilic surfaces due to favorable protein-surface and solvent-surface interactions. The diffusion of BSA on TMS appeared to be activationless for several populations, whereas diffusion on FS always exhibited an apparent activation energy. All activation energies were small in absolute terms (generally only a few kBT), suggesting that most adsorbed protein molecules are weakly bound and move and desorb readily under ambient conditions. PMID:22713578

Crack surface roughness in three-dimensional random fuse networks

NASA Astrophysics Data System (ADS)

Nukala, Phani Kumar V. V.; Zapperi, Stefano; Šimunović, Srđan

2006-08-01

Using large system sizes with extensive statistical sampling, we analyze the scaling properties of crack roughness and damage profiles in the three-dimensional random fuse model. The analysis of damage profiles indicates that damage accumulates in a diffusive manner up to the peak load, and localization sets in abruptly at the peak load, starting from a uniform damage landscape. The global crack width scales as Wtilde L0.5 and is consistent with the scaling of localization length ξ˜L0.5 used in the data collapse of damage profiles in the postpeak regime. This consistency between the global crack roughness exponent and the postpeak damage profile localization length supports the idea that the postpeak damage profile is predominantly due to the localization produced by the catastrophic failure, which at the same time results in the formation of the final crack. Finally, the crack width distributions can be collapsed for different system sizes and follow a log-normal distribution.

Temperature behaviour of the average size of nanoparticle lattices co-deposited with an amorphous matrix. Analysis of Ge + Al2O3 and Ni + Al2O3 thin films

NASA Astrophysics Data System (ADS)

Mezzasalma, Stefano A.; Car, Tihomir; Nekić, Nikolina; Jerčinović, Marko; Buljan, Maja

2017-11-01

We theoretically interpret the thermal behaviour of the average radius versus substrate temperature of regular quantum dot/nanocluster arrays formed by sputtering semiconductor/metal atoms with oxide molecules. The analysis relies on a continuum theory for amorphous films with given surface quantities, perturbed by a nanoparticle lattice. An account of the basic thermodynamic contributions is given in terms of force-flux phenomenological coefficients of each phase (Ge, Ni, Al2O3). Average radii turn out to be expressible by a characteristic length scale and a dimensionless parameter, which mainly depend upon temperature through diffusion lengths, film pressures and finite-size corrections to interfacial tensions. The numerical agreement is good in both Ge (4 % ) and Ni (15.4 % ) lattices grown at temperatures ≤slant 800 K, despite the lower temperature behaviour of quantum dots seeming to suggest further driving forces taking part in such processes.

Dispersion in Fractures with Ramified Dissolution Patterns

NASA Astrophysics Data System (ADS)

Xu, Le; Marks, Benjy; Toussaint, Renaud; Flekkøy, Eirik G.; Måløy, Knut J.

2018-04-01

The injection of a reactive fluid into an open fracture may modify the fracture surface locally and create a ramified structure around the injection point. This structure will have a significant impact on the dispersion of the injected fluid due to increased permeability, which will introduce large velocity fluctuations into the fluid. Here, we have injected a fluorescent tracer fluid into a transparent artificial fracture with such a ramified structure. The transparency of the model makes it possible to follow the detailed dispersion of the tracer concentration. The experiments have been compared to two dimensional (2D) computer simulations which include both convective motion and molecular diffusion. A comparison was also performed between the dispersion from an initially ramified dissolution structure and the dispersion from an initially circular region. A significant difference was seen both at small and large length scales. At large length scales, the persistence of the anisotropy of the concentration distribution far from the ramified structure is discussed with reference to some theoretical considerations and comparison with simulations.

Surface hydration amplifies single-well protein atom diffusion propagating into the macromolecular core

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Liang; Cheng, Xiaolin; Glass, Dennis C.

2012-06-05

The effect of surface hydration water on internal protein motion is of fundamental interest in molecular biophysics. Here, by decomposing the picosecond to nanosecond atomic motion in molecular dynamics simulations of lysozyme at different hydration levels into three components localized single-well diffusion, methyl group rotation, and nonmethyl jumps we show that the effect of surface hydration is mainly to increase the volume of the localized single-well diffusion. As a result, these diffusive motions are coupled in such a way that the hydration effect propagates from the protein surface into the dry core.