Fick's second law transformed: one path to cloaking in mass diffusion.

PubMed

Guenneau, S; Puvirajesinghe, T M

2013-06-06

Here, we adapt the concept of transformational thermodynamics, whereby the flux of temperature is controlled via anisotropic heterogeneous diffusivity, for the diffusion and transport of mass concentration. The n-dimensional, time-dependent, anisotropic heterogeneous Fick's equation is considered, which is a parabolic partial differential equation also applicable to heat diffusion, when convection occurs, for example, in fluids. This theory is illustrated with finite-element computations for a liposome particle surrounded by a cylindrical multi-layered cloak in a water-based environment, and for a spherical multi-layered cloak consisting of layers of fluid with an isotropic homogeneous diffusivity, deduced from an effective medium approach. Initial potential applications could be sought in bioengineering.

Passive Rocket Diffuser Testing: Reacting Flow Performance of Four Second-Throat Geometries

NASA Technical Reports Server (NTRS)

Jones, Daniel R.; Allgood, Daniel C.; Saunders, Grady P.

2016-01-01

Second-throat diffusers serve to isolate rocket engines from the effects of ambient back pressure. As one of the nation's largest rocket testing facilities, the performance and design limitations of diffusers are of great interest to NASA's Stennis Space Center. This paper describes a series of tests conducted on four diffuser configurations to better understand the effects of inlet geometry and throat area on starting behavior and boundary layer separation. The diffusers were tested for a duration of five seconds with a 1455-pound thrust, LO2/GH2 thruster to ensure they each reached aerodynamic steady state. The effects of a water spray ring at the diffuser exits and a water-cooled deflector plate were also evaluated. Static pressure and temperature measurements were taken at multiple axial locations along the diffusers, and Computational Fluid Dynamics (CFD) simulations were used as a tool to aid in the interpretation of data. The hot combustion products were confirmed to enable the diffuser start condition with tighter second throats than predicted by historical cold-flow data or the theoretical normal shock method. Both aerodynamic performance and heat transfer were found to increase with smaller diffuser throats. Spray ring and deflector cooling water had negligible impacts on diffuser boundary layer separation. CFD was found to accurately capture diffuser shock structures and full-flowing diffuser wall pressures, and the qualitative behavior of heat transfer. However, the ability to predict boundary layer separated flows was not consistent.

Effect of gravity modulation on thermosolutal convection in an infinite layer of fluid

NASA Astrophysics Data System (ADS)

Saunders, B. V.; Murray, B. T.; McFadden, G. B.; Coriell, S. R.; Wheeler, A. A.

1991-10-01

The effect of time-periodic vertical gravity modulation on the onset of thermosolutal convection in an infinite horizontal layer with stress free boundaries is studied using Floquet theory for the linear stability analysis. Situations are considered for which the fluid layer is stably stratified in either the fingering or diffusive regimes of double diffusive convection. Results are presented both with and without steady background acceleration. Modulation may stabilize an unstable base solution or destabilize a stable base solution. In addition to synchronous and subharmonic response to the modulation frequency, instability in the double diffusive system can occur via a complex conjugate mode. In the diffusive regime, where oscillatory onset occurs in the unmodulated system, regions of resonant instability occur and exhibit strong coupling with the unmodulated oscillatory frequency.

Preparation and Bond Properties of Thermal Barrier Coatings on Mg Alloy with Sprayed Al or Diffused Mg-Al Intermetallic Interlayer

NASA Astrophysics Data System (ADS)

Fan, Xizhi; Wang, Ying; Zou, Binglin; Gu, Lijian; Huang, Wenzhi; Cao, Xueqiang

2014-02-01

Sprayed Al or diffused Mg-Al layer was designed as interlayer between the thermal barrier coatings (TBCs) and Mg alloy substrate. The effects of the interlayer on the bond properties of the coats were investigated. Al layers were prepared by arc spraying and atmospheric plasma spraying (APS), respectively. Mg-Al diffused layer was obtained after the heat treatment of the sprayed sample (Mg alloy with APS Al coat) at 400 °C. The results show that sprayed Al interlayer does not improve the bond stability of TBCs. The failure of the TBCs on Mg alloy with Al interlayer occurs mainly due to the low strength of Al layer. Mg-Al diffused layer improves corrosion resistance of substrate and the bond interface. The TBCs on Mg alloy with Mg-Al diffused interlayer shows better bond stability than the sample of which the TBCs is directly sprayed on Mg alloy substrate by APS.

Numerical Evaluation of Lateral Diffusion Inside Diffusive Gradients in Thin Films Samplers

PubMed Central

2015-01-01

Using numerical simulation of diffusion inside diffusive gradients in thin films (DGT) samplers, we show that the effect of lateral diffusion inside the sampler on the solute flux into the sampler is a nonlinear function of the diffusion layer thickness and the physical sampling window size. In contrast, earlier work concluded that this effect was constant irrespective of parameters of the sampler geometry. The flux increase caused by lateral diffusion inside the sampler was determined to be ∼8.8% for standard samplers, which is considerably lower than the previous estimate of ∼20%. Lateral diffusion is also propagated to the diffusive boundary layer (DBL), where it leads to a slightly stronger decrease in the mass uptake than suggested by the common 1D diffusion model that is applied for evaluating DGT results. We introduce a simple correction procedure for lateral diffusion and demonstrate how the effect of lateral diffusion on diffusion in the DBL can be accounted for. These corrections often result in better estimates of the DBL thickness (δ) and the DGT-measured concentration than earlier approaches and will contribute to more accurate concentration measurements in solute monitoring in waters. PMID:25877251

Role of boundary layer diffusion in vapor deposition growth of chalcogenide nanosheets: the case of GeS.

PubMed

Li, Chun; Huang, Liang; Snigdha, Gayatri Pongur; Yu, Yifei; Cao, Linyou

2012-10-23

We report a synthesis of single-crystalline two-dimensional GeS nanosheets using vapor deposition processes and show that the growth behavior of the nanosheet is substantially different from those of other nanomaterials and thin films grown by vapor depositions. The nanosheet growth is subject to strong influences of the diffusion of source materials through the boundary layer of gas flows. This boundary layer diffusion is found to be the rate-determining step of the growth under typical experimental conditions, evidenced by a substantial dependence of the nanosheet's size on diffusion fluxes. We also find that high-quality GeS nanosheets can grow only in the diffusion-limited regime, as the crystalline quality substantially deteriorates when the rate-determining step is changed away from the boundary layer diffusion. We establish a simple model to analyze the diffusion dynamics in experiments. Our analysis uncovers an intuitive correlation of diffusion flux with the partial pressure of source materials, the flow rate of carrier gas, and the total pressure in the synthetic setup. The observed significant role of boundary layer diffusions in the growth is unique for nanosheets. It may be correlated with the high growth rate of GeS nanosheets, ~3-5 μm/min, which is 1 order of magnitude higher than other nanomaterials (such as nanowires) and thin films. This fundamental understanding of the effect of boundary layer diffusions may generally apply to other chalcogenide nanosheets that can grow rapidly. It can provide useful guidance for the development of general paradigms to control the synthesis of nanosheets.

Formation of Cr2O3 Diffusion Barrier Between Cr-Contained Stainless Steel and Cold-Sprayed Ni Coatings at High Temperature

NASA Astrophysics Data System (ADS)

Xu, Ya-Xin; Luo, Xiao-Tao; Li, Cheng-Xin; Yang, Guan-Jun; Li, Chang-Jiu

2016-02-01

A novel approach to prepare a coating system containing an in situ grown Cr2O3 diffusion barrier between a nickel top layer and 310SS was reported. Cold spraying was employed to deposit Ni(O) interlayer and top nickel coating on the Cr-contained stainless steel substrate. Ni(O) feedstock was prepared by mechanical alloying of pure nickel powders in ambient atmosphere, acting as an oxygen provider. The post-spray annealing was adopted to grow in situ Cr2O3 layer between the substrate and nickel coating. The results revealed that the diffusible oxygen can be introduced into nickel powders by mechanical alloying. The oxygen content increases to 3.25 wt.% with the increase of the ball milling duration to 8 h, while Ni(O) powders maintain a single phase of Ni. By annealing the sample in Ar atmosphere at 900 °C, a continuous Cr2O3 layer of 1-2 μm thick at the interface between 310SS and cold-sprayed Ni coating is formed. The diffusion barrier effect evaluation by thermal exposure at 750 °C shows that the Cr2O3 oxide layer effectively suppresses the outward diffusion of Fe and Cr in the substrate effectively.

Sb lattice diffusion in Si1-xGex/Si(001) heterostructures: Chemical and stress effects

NASA Astrophysics Data System (ADS)

Portavoce, A.; Gas, P.; Berbezier, I.; Ronda, A.; Christensen, J. S.; Kuznetsov, A. Yu.; Svensson, B. G.

2004-04-01

The Sb diffusion coefficient in Si1-xGex/Si1-yGey(001) heterostructures grown by molecular beam epitaxy (MBE) was measured for temperatures ranging from 700 to 850 °C, Ge composition from 0 to 20 % and biaxial pressure from -0.8 (tension) to 1.4 GPa (compression). A quantitative separation of composition and biaxial stress effects is made. We show that the Sb lattice diffusion coefficient: (i) increases with Ge concentration in relaxed layers or at constant biaxial pressure and (ii) increases with compressive biaxial stress and decreases with tensile biaxial stress at constant Ge composition. The enhancement of Sb lattice diffusion in Si1-xGex layers in epitaxy on Si(001) is thus due to the cooperative effect of Ge composition and induced compressive biaxial stress. However, the first effect (composition) is predominant. The activation volume of Sb diffusion in Si1-xGex layers is deduced from the variation of the Sb diffusion coefficients with biaxial pressure. This volume is negative. The sign of the activation volume, its absolute value and its variation with temperature confirm the prediction of the thermodynamic model proposed by Aziz, namely, that under a biaxial stress the activation volume is reduced to the relaxation volume.

Boundary-layer electron profiles for entry of a blunts slender body at high altitude

NASA Technical Reports Server (NTRS)

Evans, J. S.; Schexnayder, C. J., Jr.; Huber, P. W.

1973-01-01

New calculations of boundary-layer electron concentration profiles for entry of a blunt-nosed slender body into the earth's atmosphere are compared with previous calculations in which ambipolar diffusion was neglected. The old and new results agree in those flight regimes where ambipolar diffusion is unimportant, but large differences are noted in both peak electron concentration and profile shape at the higher altitudes, where diffusion effects are greatest. The new results are also compared with flight-measured profiles and with calculated profiles for a viscous-shock-layer theory which was recently reported in the literature. The boundary-layer results and the data agree in most respects. Differences which occur between predicted results and the data in the outer parts of the profile are discussed in terms of the effects of aerodynamic heating of the probes.

Effects of nitrogen and biochar amendment on soil methane concentration profiles and diffusion in a rice-wheat annual rotation system

NASA Astrophysics Data System (ADS)

Xu, Xin; Wu, Zhen; Dong, Yubing; Zhou, Ziqiang; Xiong, Zhengqin

2016-12-01

The CH4 emissions from soil were influenced by the changeable CH4 concentrations and diffusions in soil profiles, but that have been subjected to nitrogen (N) and biochar amendment over seasonal and annual time frames. Accordingly, a two-year field experiment was conducted in southeastern China to determine the amendment effects on CH4 concentrations and diffusive effluxes as measured by a multilevel sampling probe in paddy soil during two cycles of rice-wheat rotations. The results showed that the top 7-cm soil layers were the primary CH4 production sites during the rice-growing seasons. This layer acted as the source of CH4 generation and diffusion, and the deeper soil layers and the wheat season soil acted as the sink. N fertilization significantly increased the CH4 concentration and diffusive effluxes in the top 7-cm layers during the 2013 and 2014 rice seasons. Following biochar amendment, the soil CH4 concentrations significantly decreased during the rice season in 2014, relative to the single N treatment. Moreover, 40 t ha-1 biochar significantly decreased the diffusive effluxes during the rice seasons in both years. Therefore, our results showed that biochar amendment is a good strategy for reducing the soil profile CH4 concentrations and diffusive effluxes induced by N in paddy fields.

Effects of nitrogen and biochar amendment on soil methane concentration profiles and diffusion in a rice-wheat annual rotation system.

PubMed

Xu, Xin; Wu, Zhen; Dong, Yubing; Zhou, Ziqiang; Xiong, Zhengqin

2016-12-08

The CH 4 emissions from soil were influenced by the changeable CH 4 concentrations and diffusions in soil profiles, but that have been subjected to nitrogen (N) and biochar amendment over seasonal and annual time frames. Accordingly, a two-year field experiment was conducted in southeastern China to determine the amendment effects on CH 4 concentrations and diffusive effluxes as measured by a multilevel sampling probe in paddy soil during two cycles of rice-wheat rotations. The results showed that the top 7-cm soil layers were the primary CH 4 production sites during the rice-growing seasons. This layer acted as the source of CH 4 generation and diffusion, and the deeper soil layers and the wheat season soil acted as the sink. N fertilization significantly increased the CH 4 concentration and diffusive effluxes in the top 7-cm layers during the 2013 and 2014 rice seasons. Following biochar amendment, the soil CH 4 concentrations significantly decreased during the rice season in 2014, relative to the single N treatment. Moreover, 40 t ha -1 biochar significantly decreased the diffusive effluxes during the rice seasons in both years. Therefore, our results showed that biochar amendment is a good strategy for reducing the soil profile CH 4 concentrations and diffusive effluxes induced by N in paddy fields.

The effect of gravity modulation on thermosolutal convection in an infinite layer of fluid

NASA Astrophysics Data System (ADS)

Saunders, B. V.; Murray, B. T.; McFadden, G. B.; Coriell, S. R.; Wheeler, A. A.

1992-06-01

The effect of time-periodic vertical gravity modulation on the onset of thermosolutal convection in an infinite horizontal layer with stress-free boundaries is investigated using Floquet theory for the linear stability analysis. Situations for which the fluid layer is stably stratified in either the fingering or diffusive regimes of double-diffusive convection are considered. Results are presented both with and without steady background acceleration. Modulation may stabilize an unstable base solution or destabilize a stable base solution. In addition to synchronous and subharmonic response to the modulation frequency, instability in the double diffusive system can occur via a complex conjugate mode. In the diffusive regime, where oscillatory onset occurs in the unmodulated system, regions of resonant instability occur and exhibit strong coupling with the unmodulated oscillatory frequency. The response to modulation of the fundamental instability of the unmodulated system is described both analytically and numerically; in the double-diffusive system this mode persists under subcritical conditions as a high-frequency lobe.

The effect of gravity modulation on thermosolutal convection in an infinite layer of fluid

NASA Technical Reports Server (NTRS)

Saunders, B. V.; Murray, B. T.; Mcfadden, G. B.; Coriell, S. R.; Wheeler, A. A.

1992-01-01

The effect of time-periodic vertical gravity modulation on the onset of thermosolutal convection in an infinite horizontal layer with stress-free boundaries is investigated using Floquet theory for the linear stability analysis. Situations for which the fluid layer is stably stratified in either the fingering or diffusive regimes of double-diffusive convection are considered. Results are presented both with and without steady background acceleration. Modulation may stabilize an unstable base solution or destabilize a stable base solution. In addition to synchronous and subharmonic response to the modulation frequency, instability in the double diffusive system can occur via a complex conjugate mode. In the diffusive regime, where oscillatory onset occurs in the unmodulated system, regions of resonant instability occur and exhibit strong coupling with the unmodulated oscillatory frequency. The response to modulation of the fundamental instability of the unmodulated system is described both analytically and numerically; in the double-diffusive system this mode persists under subcritical conditions as a high-frequency lobe.

Ag out-surface diffusion in crystalline SiC with an effective SiO 2 diffusion barrier

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

Xue, H.; Xiao, H. Y.; Zhu, Z.

2015-05-07

For applications of tristructural isotropic (TRISO) fuel particles in high temperature reactors, release of radioactive Ag isotope ( 110mAg) through the SiC coating layer is a safety concern. In order to understand the diffusion mechanism, Ag ion implantations near the surface and in the bulk were performed by utilizing different ion energies and energy-degrader foils. High temperature annealing was carried out on the as-irradiated samples to study the possible out-surface diffusion. Before and after annealing, Rutherford backscattering spectrometry (RBS) and secondary ion mass spectrometry (SIMS) measurements were employed to obtain the elemental profiles of the implanted samples. Our results suggestmore » little migration of buried Ag in the bulk, and an out-diffusion of the implanted Ag in the near-surface region of single crystal SiC. It is also found that a SiO 2 layer, which was formed during annealing, may serve as an effective barrier to reduce or prevent Ag out diffusion through the SiC coating layer.« less

Ag Out-surface Diffusion In Crystalline SiC With An Effective SiO2 Diffusion Barrier

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

Xue, H.; Xiao, Haiyan Y.; Zhu, Zihua

2015-09-01

For applications of tristructural isotropic (TRISO) fuel particles in high temperature reactors, release of radioactive Ag isotope (110mAg) through the SiC coating layer is a safety concern. To understand the diffusion mechanism, Ag ion implantations near the surface and in the bulk were performed by utilizing different ion energies and energy-degrader foils. High temperature annealing was carried out on the as-irradiated samples to study the possible out-surface diffusion. Before and after annealing, Rutherford backscattering spectrometry (RBS) and secondary ion mass spectrometry (SIMS) measurements were employed to obtain the elemental profiles of the implanted samples. The results suggest little migration ofmore » buried Ag in the bulk, and an out-diffusion of the implanted Ag in the near-surface region of single crystal SiC. It is also found that a SiO2 layer, which was formed during annealing, may serve as an effective barrier to reduce or prevent Ag out diffusion through the SiC coating layer.« less

Parameterization of large-scale turbulent diffusion in the presence of both well-mixed and weakly mixed patchy layers

NASA Astrophysics Data System (ADS)

Osman, M. K.; Hocking, W. K.; Tarasick, D. W.

2016-06-01

Vertical diffusion and mixing of tracers in the upper troposphere and lower stratosphere (UTLS) are not uniform, but primarily occur due to patches of turbulence that are intermittent in time and space. The effective diffusivity of regions of patchy turbulence is related to statistical parameters describing the morphology of turbulent events, such as lifetime, number, width, depth and local diffusivity (i.e., diffusivity within the turbulent patch) of the patches. While this has been recognized in the literature, the primary focus has been on well-mixed layers, with few exceptions. In such cases the local diffusivity is irrelevant, but this is not true for weakly and partially mixed layers. Here, we use both theory and numerical simulations to consider the impact of intermediate and weakly mixed layers, in addition to well-mixed layers. Previous approaches have considered only one dimension (vertical), and only a small number of layers (often one at each time step), and have examined mixing of constituents. We consider a two-dimensional case, with multiple layers (10 and more, up to hundreds and even thousands), having well-defined, non-infinite, lengths and depths. We then provide new formulas to describe cases involving well-mixed layers which supersede earlier expressions. In addition, we look in detail at layers that are not well mixed, and, as an interesting variation on previous models, our procedure is based on tracking the dispersion of individual particles, which is quite different to the earlier approaches which looked at mixing of constituents. We develop an expression which allows determination of the degree of mixing, and show that layers used in some previous models were in fact not well mixed and so produced erroneous results. We then develop a generalized model based on two dimensional random-walk theory employing Rayleigh distributions which allows us to develop a universal formula for diffusion rates for multiple two-dimensional layers with general degrees of mixing. We show that it is the largest, most vigorous and less common turbulent layers that make the major contribution to global diffusion. Finally, we make estimates of global-scale diffusion coefficients in the lower stratosphere and upper troposphere. For the lower stratosphere, κeff ≈ 2x10-2 m2 s-1, assuming no other processes contribute to large-scale diffusion.

An experimental study of the role of particle diffusive convection on the residence time of volcanic ash clouds

NASA Astrophysics Data System (ADS)

Deal, E.; Carazzo, G.; Jellinek, M.

2013-12-01

The longevity of volcanic ash clouds generated by explosive volcanic plumes is difficult to predict. Diffusive convective instabilities leading to the production of internal layering are known to affect the stability and longevity of these clouds, but the detailed mechanisms controlling particle dynamics and sedimentation are poorly understood. We present results from a series of analog experiments reproducing diffusive convection in a 2D (Hele-Shaw) geometry, which allow us to constrain conditions for layer formation, sedimentation regime and cloud residence time as a function of only the source conditions. We inject a turbulent particle-laden jet sideways into a tank containing a basal layer of salt water and an upper layer of fresh water, which ultimately spreads as a gravity current. After the injection is stopped, particles in suspension settle through the cloud to form particle boundary layers (PBL) at the cloud base. We vary the initial particle concentration of the plume and the injection velocity over a wide range of conditions to identify and characterize distinct regimes of sedimentation. Our experiments show that convective instabilities driven as a result of differing diffusivities of salt and particles lead to periodic layering over a wide range of conditions expected in nature. The flux of particles from layered clouds and the thicknesses of the layers are understood using classical theory for double diffusive convection adjusted for the hydrodynamic diffusion of particles. Although diffusive convection increases sedimentation rates for the smallest particles (<30 μm) its overall effect is to extend the cloud residence time to several hours by maintaining larger particles in suspension within the layers, which is several orders of magnitude longer than expected when considering individual settling rates.

Pore network modeling to explore the effects of compression on multiphase transport in polymer electrolyte membrane fuel cell gas diffusion layers

NASA Astrophysics Data System (ADS)

Fazeli, Mohammadreza; Hinebaugh, James; Fishman, Zachary; Tötzke, Christian; Lehnert, Werner; Manke, Ingo; Bazylak, Aimy

2016-12-01

Understanding how compression affects the distribution of liquid water and gaseous oxygen in the polymer electrolyte membrane fuel cell gas diffusion layer (GDL) is vital for informing the design of improved porous materials for effective water management strategies. Pore networks extracted from synchrotron-based micro-computed tomography images of compressed GDLs were employed to simulate liquid water transport in GDL materials over a range of compression pressures. The oxygen transport resistance was predicted for each sample under dry and partially saturated conditions. A favorable GDL compression value for a preferred liquid water distribution and oxygen diffusion was found for Toray TGP-H-090 (10%), yet an optimum compression value was not recognized for SGL Sigracet 25BC. SGL Sigracet 25BC exhibited lower transport resistance values compared to Toray TGP-H-090, and this is attributed to the additional diffusion pathways provided by the microporous layer (MPL), an effect that is particularly significant under partially saturated conditions.

Ion Layer Separation and Equilibrium Zonal Winds in Midlatitude Sporadic E

NASA Technical Reports Server (NTRS)

Earle, G. D.; Kane, T. J.; Pfaff, R. F.; Bounds, S. R.

2000-01-01

In-situ observations of a moderately strong mid-latitude sporadic-E layer show a separation in altitude between distinct sublayers composed of Fe(+), Mg(+), and NO(+). From these observations it is possible to estimate the zonal wind field consistent with diffusive equilibrium near the altitude of the layer. The amplitude of the zonal wind necessary to sustain the layer against diffusive effects is less than 10 meters per second, and the vertical wavelength is less than 10 km.

Evaluation of the mass transfer process on thin layer drying of papaya seeds from the perspective of diffusive models

NASA Astrophysics Data System (ADS)

Dotto, Guilherme Luiz; Meili, Lucas; Tanabe, Eduardo Hiromitsu; Chielle, Daniel Padoin; Moreira, Marcos Flávio Pinto

2018-02-01

The mass transfer process that occurs in the thin layer drying of papaya seeds was studied under different conditions. The external mass transfer resistance and the dependence of effective diffusivity ( D EFF ) in relation to the moisture ratio ( \\overline{MR} ) and temperature ( T) were investigated from the perspective of diffusive models. It was verified that the effective diffusivity was affected by the moisture content and temperature. A new correlation was proposed for drying of papaya seeds in order to describe these influences. Regarding the use of diffusive models, the results showed that, at conditions of low drying rates ( T ≤ 70 °C), the external mass transfer resistance, as well as the dependence of the effective diffusivity with respect to the temperature and moisture content should be considered. At high drying rates ( T > 90 °C), the dependence of the effective diffusivity with respect to the temperature and moisture content can be neglected, but the external mass transfer resistance was still considerable in the range of air velocities used in this work.

Characterization of transport phenomena in porous transport layers using X-ray microtomography

NASA Astrophysics Data System (ADS)

Hasanpour, S.; Hoorfar, M.; Phillion, A. B.

2017-06-01

Among different methods available for estimating the transport properties of porous transport layers (PTLs) of polymer electrolyte membrane fuel cells, X-ray micro computed tomography (X-μCT) imaging in combination with image-based numerical simulation has been recognized as a viable tool. In this study, four commercially-available single-layer and dual-layer PTLs are analyzed using this method in order to compare and contrast transport properties between different PTLs, as well as the variability within a single sheet. Complete transport property datasets are created for each PTL. The simulation predictions indicate that PTLs with high porosity show considerable variability in permeability and effective diffusivity, while PTLs with low porosity do not. Furthermore, it is seen that the Tomadakis-Sotirchos (TS) analytical expressions for porous media match the image-based simulations when porosity is relatively low but predict higher permeability and effective diffusivity for porosity values greater than 80%. Finally, the simulations show that cracks within MPL of dual-layer PTLs have a significant effect on the overall permeability and effective diffusivity of the PTLs. This must be considered when estimating the transport properties of dual-layer PTLs. These findings can be used to improve macro-scale models of product and reactant transport within fuel cells, and ultimately, fuel cell efficiency.

Hybrid Monte Carlo-Diffusion Method For Light Propagation in Tissue With a Low-Scattering Region

NASA Astrophysics Data System (ADS)

Hayashi, Toshiyuki; Kashio, Yoshihiko; Okada, Eiji

2003-06-01

The heterogeneity of the tissues in a head, especially the low-scattering cerebrospinal fluid (CSF) layer surrounding the brain has previously been shown to strongly affect light propagation in the brain. The radiosity-diffusion method, in which the light propagation in the CSF layer is assumed to obey the radiosity theory, has been employed to predict the light propagation in head models. Although the CSF layer is assumed to be a nonscattering region in the radiosity-diffusion method, fine arachnoid trabeculae cause faint scattering in the CSF layer in real heads. A novel approach, the hybrid Monte Carlo-diffusion method, is proposed to calculate the head models, including the low-scattering region in which the light propagation does not obey neither the diffusion approximation nor the radiosity theory. The light propagation in the high-scattering region is calculated by means of the diffusion approximation solved by the finite-element method and that in the low-scattering region is predicted by the Monte Carlo method. The intensity and mean time of flight of the detected light for the head model with a low-scattering CSF layer calculated by the hybrid method agreed well with those by the Monte Carlo method, whereas the results calculated by means of the diffusion approximation included considerable error caused by the effect of the CSF layer. In the hybrid method, the time-consuming Monte Carlo calculation is employed only for the thin CSF layer, and hence, the computation time of the hybrid method is dramatically shorter than that of the Monte Carlo method.

Hybrid Monte Carlo-diffusion method for light propagation in tissue with a low-scattering region.

PubMed

Hayashi, Toshiyuki; Kashio, Yoshihiko; Okada, Eiji

2003-06-01

The heterogeneity of the tissues in a head, especially the low-scattering cerebrospinal fluid (CSF) layer surrounding the brain has previously been shown to strongly affect light propagation in the brain. The radiosity-diffusion method, in which the light propagation in the CSF layer is assumed to obey the radiosity theory, has been employed to predict the light propagation in head models. Although the CSF layer is assumed to be a nonscattering region in the radiosity-diffusion method, fine arachnoid trabeculae cause faint scattering in the CSF layer in real heads. A novel approach, the hybrid Monte Carlo-diffusion method, is proposed to calculate the head models, including the low-scattering region in which the light propagation does not obey neither the diffusion approximation nor the radiosity theory. The light propagation in the high-scattering region is calculated by means of the diffusion approximation solved by the finite-element method and that in the low-scattering region is predicted by the Monte Carlo method. The intensity and mean time of flight of the detected light for the head model with a low-scattering CSF layer calculated by the hybrid method agreed well with those by the Monte Carlo method, whereas the results calculated by means of the diffusion approximation included considerable error caused by the effect of the CSF layer. In the hybrid method, the time-consuming Monte Carlo calculation is employed only for the thin CSF layer, and hence, the computation time of the hybrid method is dramatically shorter than that of the Monte Carlo method.

Reduction in number of crystal defects in a p+Si diffusion layer by germanium and boron cryogenic implantation combined with sub-melt laser spike annealing

NASA Astrophysics Data System (ADS)

Murakoshi, Atsushi; Harada, Tsubasa; Miyano, Kiyotaka; Harakawa, Hideaki; Aoyama, Tomonori; Yamashita, Hirofumi; Kohyama, Yusuke

2017-09-01

To reduce the number of crystal defects in a p+Si diffusion layer by a low-thermal-budget annealing process, we have examined crystal recovery in the amorphous layer formed by the cryogenic implantation of germanium and boron combined with sub-melt laser spike annealing (LSA). The cryogenic implantation at -150 °C is very effective in suppressing vacancy clustering, which is advantageous for rapid crystal recovery during annealing. The crystallinity after LSA is shown to be very high and comparable to that after rapid thermal annealing (RTA) owing to the cryogenic implantation, although LSA is a low-thermal-budget annealing process that can suppress boron diffusion effectively. It is also shown that in the p+Si diffusion layer, there is high contact resistance due to the incomplete formation of a metal silicide contact, which originates from insufficient outdiffusion of surface contaminants such as fluorine. To widely utilize the marked reduction in the number of crystal defects, sufficient removal of surface contaminants will be required in the low-thermal-budget process.

Performance and microbial ecology of air-cathode microbial fuel cells with layered electrode assemblies.

PubMed

Butler, Caitlyn S; Nerenberg, Robert

2010-05-01

Microbial fuel cells (MFCs) can be built with layered electrode assemblies, where the anode, proton exchange membrane (PEM), and cathode are pressed into a single unit. We studied the performance and microbial community structure of MFCs with layered assemblies, addressing the effect of materials and oxygen crossover on the community structure. Four MFCs with layered assemblies were constructed using Nafion or Ultrex PEMs and a plain carbon cloth electrode or a cathode with an oxygen-resistant polytetrafluoroethylene diffusion layer. The MFC with Nafion PEM and cathode diffusion layer achieved the highest power density, 381 mW/m(2) (20 W/m(3)). The rates of oxygen diffusion from cathode to anode were three times higher in the MFCs with plain cathodes compared to those with diffusion-layer cathodes. Microsensor studies revealed little accumulation of oxygen within the anode cloth. However, the abundance of bacteria known to use oxygen as an electron acceptor, but not known to have exoelectrogenic activity, was greater in MFCs with plain cathodes. The MFCs with diffusion-layer cathodes had high abundance of exoelectrogenic bacteria within the genus Geobacter. This work suggests that cathode materials can significantly influence oxygen crossover and the relative abundance of exoelectrogenic bacteria on the anode, while PEM materials have little influence on anode community structure. Our results show that oxygen crossover can significantly decrease the performance of air-cathode MFCs with layered assemblies, and therefore limiting crossover may be of particular importance for these types of MFCs.

Emergence of a Stern Layer from the Incorporation of Hydration Interactions into the Gouy-Chapman Model of the Electrical Double Layer.

PubMed

Brown, Matthew A; Bossa, Guilherme Volpe; May, Sylvio

2015-10-27

In one of the most commonly used phenomenological descriptions of the electrical double layer, a charged solid surface and a diffuse region of mobile ions are separated from each other by a thin charge-depleted Stern layer. The Stern layer acts as a capacitor that improves the classical Gouy-Chapman model by increasing the magnitude of the surface potential and limiting the maximal counterion concentration. We show that very similar Stern-like properties of the diffuse double layer emerge naturally from adding a nonelectrostatic hydration repulsion to the electrostatic Coulomb potential. The interplay of electrostatic attraction and hydration repulsion of the counterions and the surface leads to the formation of a diffuse counterion layer that remains well separated from the surface. In addition, hydration repulsions between the ions limit and control the maximal ion concentration and widen the width of the diffuse double layer. Our mean-field model, which we express in terms of electrostatic and hydration potentials, is physically consistent and conceptually similar to the classical Gouy-Chapman model. It allows the incorporation of ion specificity, accounts for hydration properties of charged surfaces, and predicts Stern layer properties, which we analyze in terms of the effective size of the hydrated counterions.

Diffusion of Mg dopant in metal-organic vapor-phase epitaxy grown GaN and AlxGa1-xN

NASA Astrophysics Data System (ADS)

Köhler, K.; Gutt, R.; Wiegert, J.; Kirste, L.

2013-02-01

Diffusion of the p-type dopant Mg in GaN and AlxGa1-xN which is accompanied by segregation and affected by transient effects in metal-organic vapor-phase epitaxy reactors is investigated. We have grown 110 nm thick Mg doped GaN and Al0.1Ga0.9N layers on top of undoped GaN and Al0.1Ga0.9N layers, respectively, in a temperature range between 925 °C and 1050 °C where we placed special emphasis on the lower temperature limit without diffusion to allow separation of Mg transients, diffusion, and segregation. Hereby, AlxGa1-xN layers enable monitoring of the resolution limit by secondary ion mass spectrometry analyses for the respective samples; therefore, thin AlxGa1-xN marker layers are incorporated in the thick GaN layers. We found an upper limit of 1.25 × 1019 cm-3 for diffusing Mg atoms in both sample types. Owing to the marked influence of Mg segregation in Al0.1Ga0.9N, diffusion is only seen by using a GaN cap on top of the Al0.1Ga0.9N layer sequence. Diffusion in Al0.1Ga0.9N is shown to be increased by about 25%-30% compared to GaN. Post growth annealing experiments under conditions equivalent to those used for growth of the Mg doped samples showed negligible diffusion. Comparing the results to well established findings on other doped III-V compounds, diffusion is explained by an interstitial-substitutional mechanism with a diffusion coefficient, which is concentration dependent. Analysis of the temperature dependent diffusivity revealed an activation energy of 5.0 eV for GaN:Mg and 5.2 eV for Al0.1Ga0.9N:Mg.

Calculation of effective transport properties of partially saturated gas diffusion layers

NASA Astrophysics Data System (ADS)

Bednarek, Tomasz; Tsotridis, Georgios

2017-02-01

A large number of currently available Computational Fluid Dynamics numerical models of Polymer Electrolyte Membrane Fuel Cells (PEMFC) are based on the assumption that porous structures are mainly considered as thin and homogenous layers, hence the mass transport equations in structures such as Gas Diffusion Layers (GDL) are usually modelled according to the Darcy assumptions. Application of homogenous models implies that the effects of porous structures are taken into consideration via the effective transport properties of porosity, tortuosity, permeability (or flow resistance), diffusivity, electric and thermal conductivity. Therefore, reliable values of those effective properties of GDL play a significant role for PEMFC modelling when employing Computational Fluid Dynamics, since these parameters are required as input values for performing the numerical calculations. The objective of the current study is to calculate the effective transport properties of GDL, namely gas permeability, diffusivity and thermal conductivity, as a function of liquid water saturation by using the Lattice-Boltzmann approach. The study proposes a method of uniform water impregnation of the GDL based on the "Fine-Mist" assumption by taking into account the surface tension of water droplets and the actual shape of GDL pores.

Analysis of Double Layer and Adsorption Effects at the Alkaline Polymer Electrolyte-Electrode Interface

DTIC Science & Technology

2011-10-05

anion exchange mem - branes (AEM) are an attractive alternative to proton exchange mem - brane (PEM) fuel cells.1, 2 From electrocatalysts standpoint...gener- ally broken down into three distinct regions: the inner Helmholtz plane (IHP), the outer Helmholtz plane ( OHP ), and the diffuse layer. Figure 11...closest approach and is defined as OHP at a distance, x2. Nonspecifically adsorbed ions are distributed in a three dimensional region, called diffuse layer

Large-Scale Integration of Solid-State Microfluidic Valves With No Moving Parts

DTIC Science & Technology

2005-01-01

compact and diffuse layer is called outer Helmholtz plane ( OHP ). Potential drop across the diffusion layer is called the zeta potential, ζ. As the...Gouy-Chapman model. This is shown in Fig. 3. The plane at x2 is called the outer Helmholtz plane ( OHP ). Then the total double layer capacitance Cd...Enhanced Electro-Osmotic Pumping With Liquid Bridge and Field Effect Flow Rectification, ” Presented in IEEE MEMS 2004 Conference, Maastricht, The

Inhibition of ordinary and diffusive convection in the water condensation zone of the ice giants and implications for their thermal evolution

NASA Astrophysics Data System (ADS)

Friedson, A. James; Gonzales, Erica J.

2017-11-01

We explore the conditions under which ordinary and double-diffusive thermal convection may be inhibited by water condensation in the hydrogen atmospheres of the ice giants and examine the consequences. The saturation of vapor in the condensation layer induces a vertical gradient in the mean molecular weight that stabilizes the layer against convective instability when the abundance of vapor exceeds a critical value. In this instance, the layer temperature gradient can become superadiabatic and heat must be transported vertically by another mechanism. On Uranus and Neptune, water is inferred to be sufficiently abundant for inhibition of ordinary convection to take place in their respective condensation zones. We find that suppression of double-diffusive convection is sensitive to the ratio of the sedimentation time scale of the condensates to the buoyancy period in the condensation layer. In the limit of rapid sedimentation, the layer is found to be stable to diffusive convection. In the opposite limit, diffusive convection can occur. However, if the fluid remains saturated, then layered convection is generally suppressed and the motion is restricted in form to weak, homogeneous, oscillatory turbulence. This form of diffusive convection is a relatively inefficient mechanism for transporting heat, characterized by low Nusselt numbers. When both ordinary and layered convection are suppressed, the condensation zone acts effectively as a thermal insulator, with the heat flux transported across it only slightly greater than the small value that can be supported by radiative diffusion. This may allow a large superadiabatic temperature gradient to develop in the layer over time. Once the layer has formed, however, it is vulnerable to persistent erosion by entrainment of fluid into the overlying convective envelope of the cooling planet, potentially leading to its collapse. We discuss the implications of our results for thermal evolution models of the ice giants, for understanding Uranus' anomalously low intrinsic luminosity, and for inducing episodes of intense convection in the atmospheres of Saturn, Uranus, and Neptune.

Effect of capping layer on spin-orbit torques

NASA Astrophysics Data System (ADS)

Sun, Chi; Siu, Zhuo Bin; Tan, Seng Ghee; Yang, Hyunsoo; Jalil, Mansoor B. A.

2018-04-01

In order to enhance the magnitude of spin-orbit torque (SOT), considerable experimental works have been devoted to studying the thickness dependence of the different layers in multilayers consisting of heavy metal (HM), ferromagnet (FM), and capping layers. Here, we present a theoretical model based on the spin-drift-diffusion formalism to investigate the effect of the capping layer properties such as its thickness on the SOT observed in experiments. It is found that the spin Hall-induced SOT can be significantly enhanced by incorporating a capping layer with an opposite spin Hall angle to that of the HM layer. The spin Hall torque can be maximized by tuning the capping layer thickness. However, in the absence of the spin Hall effect (SHE) in the capping layer, the torque decreases monotonically with the capping layer thickness. Conversely, the spin Hall torque is found to decrease monotonically with the FM layer thickness, irrespective of the presence or absence of the SHE in the capping layer. All these trends are in correspondence with experimental observations. Finally, our model suggests that capping layers with a long spin diffusion length and high resistivity would also enhance the spin Hall torque.

Cross-diffusion-driven hydrodynamic instabilities in a double-layer system: General classification and nonlinear simulations

NASA Astrophysics Data System (ADS)

Budroni, M. A.

2015-12-01

Cross diffusion, whereby a flux of a given species entrains the diffusive transport of another species, can trigger buoyancy-driven hydrodynamic instabilities at the interface of initially stable stratifications. Starting from a simple three-component case, we introduce a theoretical framework to classify cross-diffusion-induced hydrodynamic phenomena in two-layer stratifications under the action of the gravitational field. A cross-diffusion-convection (CDC) model is derived by coupling the fickian diffusion formalism to Stokes equations. In order to isolate the effect of cross-diffusion in the convective destabilization of a double-layer system, we impose a starting concentration jump of one species in the bottom layer while the other one is homogeneously distributed over the spatial domain. This initial configuration avoids the concurrence of classic Rayleigh-Taylor or differential-diffusion convective instabilities, and it also allows us to activate selectively the cross-diffusion feedback by which the heterogeneously distributed species influences the diffusive transport of the other species. We identify two types of hydrodynamic modes [the negative cross-diffusion-driven convection (NCC) and the positive cross-diffusion-driven convection (PCC)], corresponding to the sign of this operational cross-diffusion term. By studying the space-time density profiles along the gravitational axis we obtain analytical conditions for the onset of convection in terms of two important parameters only: the operational cross-diffusivity and the buoyancy ratio, giving the relative contribution of the two species to the global density. The general classification of the NCC and PCC scenarios in such parameter space is supported by numerical simulations of the fully nonlinear CDC problem. The resulting convective patterns compare favorably with recent experimental results found in microemulsion systems.

Molecular dynamics simulation of diffusion and electrical conductivity in montmorillonite interlayers

DOE PAGES

Greathouse, Jeffery A.; Cygan, Randall T.; Fredrich, Joanne T.; ...

2016-01-20

In this study, the diffusion of water and ions in the interlayer region of smectite clay minerals represents a direct probe of the type and strength of clay–fluid interactions. Interlayer diffusion also represents an important link between molecular simulation and macroscopic experiments. Here we use molecular dynamics simulation to investigate trends in cation and water diffusion in montmorillonite interlayers, looking specifically at the effects of layer charge, interlayer cation and cation charge (sodium or calcium), water content, and temperature. For Na-montmorillonite, the largest increase in ion and water diffusion coefficients occurs between the one-layer and two-layer hydrates, corresponding to themore » transition from inner-sphere to outer-sphere surface complexes. Calculated activation energies for ion and water diffusion in Na-montmorillonite are similar to each other and to the water hydrogen bond energy, suggesting the breaking of water–water and water–clay hydrogen bonds as a likely mechanism for interlayer diffusion. A comparison of interlayer diffusion with that of bulk electrolyte solutions reveals a clear trend of decreasing diffusion coefficient with increasing electrolyte concentration, and in most cases the interlayer diffusion results are nearly coincident with the corresponding bulk solutions. Trends in electrical conductivities computed from the ion diffusion coefficients are also compared.« less

Transport equations in an enzymatic glucose fuel cell

NASA Astrophysics Data System (ADS)

Jariwala, Soham; Krishnamurthy, Balaji

2018-01-01

A mathematical model is developed to study the effects of convective flux and operating temperature on the performance of an enzymatic glucose fuel cell with a membrane. The model assumes isothermal operating conditions and constant feed rate of glucose. The glucose fuel cell domain is divided into five sections, with governing equations describing transport characteristics in each region, namely - anode diffusion layer, anode catalyst layer (enzyme layer), membrane, cathode catalyst layer and cathode diffusion layer. The mass transport is assumed to be one-dimensional and the governing equations are solved numerically. The effects flow rate of glucose feed on the performance of the fuel cell are studied as it contributes significantly to the convective flux. The effects of operating temperature on the performance of a glucose fuel cell are also modeled. The cell performances are compared using cell polarization curves, which were found compliant with experimental observations.

Effect of heat release on the spatial stability of a supersonic reacting mixing layer

NASA Technical Reports Server (NTRS)

Jackson, T. L.; Grosch, C. E.

1988-01-01

A numerical study of the stability of compressible mixing layers in which a diffusion flame is embedded is described. The mean velocity profile has been approximated by a hyperbolic tangent profile and the limit of infinite activation energy taken, which reduces the diffusion flame to a flame sheet. The addition of combustion in the form of a flame sheet was found to have important, and complex, effects on the flow stability.

Impact of a boron rich layer on minority carrier lifetime degradation in boron spin-on dopant diffused n-type crystalline silicon solar cells

NASA Astrophysics Data System (ADS)

Singha, Bandana; Singh Solanki, Chetan

2016-03-01

In the production of n-type crystalline silicon solar cells with boron diffused emitters, the formation of a boron rich layer (BRL) is a common phenomenon and is largely responsible for bulk lifetime degradation. The phenomenon of BRL formation during diffusion of boron spin-on dopant and its impact on bulk lifetime degradation are investigated in this work. The BRL formed beneath the borosilicate glass layer has thicknesses varying from 10 nm-150 nm depending on the diffusion conditions. The effective and bulk minority carrier lifetimes, measured with Al2O3 deposited layers and a quinhydron-methanol solution, show that carrier lifetime degradation is proportional to the BRL thicknesses and their surface recombination velocities. The controlled diffusion processes and different oxidation techniques used in this work can partially reduce the BRL thickness and improve carrier lifetime by more than 10%. But for BRL thicknesses higher than 50 nm, different etching techniques further lower the carrier lifetime and the degradation in the device cannot be recovered.

Control of the Structure of Diffusion Layer in Carbon Steels Under Nitriding with Preliminary Deposition of Copper Oxide Catalytic Films

NASA Astrophysics Data System (ADS)

Petrova, L. G.; Aleksandrov, V. A.; Malakhov, A. Yu.

2017-07-01

The effect of thin films of copper oxide deposited before nitriding on the phase composition and the kinetics of growth of diffusion layers in carbon steels is considered. The process of formation of an oxide film involves chemical reduction of pure copper on the surface of steel specimens from a salt solution and subsequent oxidation under air heating. The oxide film exerts a catalytic action in nitriding of low- and medium-carbon steels, which consists in accelerated growth of the diffusion layer, the nitride zone in the first turn. The kinetics of the nitriding process and the phase composition of the layer are controlled by the thickness of the copper oxide precursor, i.e., the deposited copper film.

Effect of permeable flow on cyclic layering in solidifying magma bodies: Insights from an analog experiment of diffusion-precipitation systems

NASA Astrophysics Data System (ADS)

Toramaru, A.; Yamauchi, S.

2012-04-01

Characteristic structures such as rhythmic layering, cress cumulate, cross bedding, perpendicular feldspar rock etc, are commonly observed in layered intrusion or shallow magmatic intrusions. These structures result from complex processes including thermal and compositional diffusions, crystallization, crystal settling, convection and interaction among three phases (crystals, bubble, melt). In order to understand how the differentiation proceeds in solidifying magma bodies from each characteristic structure together with chemical signatures, it is necessary to evaluate the relative importance among these elemental processes on structures. As an attempt to evaluate the effect of advection on a diffusion-related structure, we carried out an analog experiment of Liesegang system using lead-iodide (PbI2) crystallization in agar media which have been normally used to prohibit convection. In the ordinary Liesegang band formation experiments including only diffusion and crystallization kinetics without any advection and convection, the precipitation bands develop with regular spacing following a geometric progression due to two-component diffusion and reaction with supersaturation. This type of banding structure has been advocated as the same type of cyclic layering or vesicle layering (a sort of rhythmic layering) in dykes or sills. In order to see the effect of one-directional advection on Liesegang band, we apply the electric field (5 V to 25 V for a distance 15 cm) along the concentration gradient in agar media, thereby counteracting flows of lead anion Pb2+ and iodide ion I- are driven at constant velocities. The flows of anions and ions are equivalent to the permeable flows in porous media of crystal mush. The resultant precipitation structures exhibit very curious banding structure in which band spacings do not change with distance, are nearly constant and quite narrow, depending on the voltage, unlike those in ordinary Liesegang bands in which band spacings increase with distance following geometric progression. Further interestingly each band consists of a lot of very tiny irregular-shaped crystal aggregates. From experimental results and scaling arguments, with regard to the effect of one directional permeable flow on band spacing of cyclic layering, we propose a hypothesis of constant Peclet number that Peclet number (ratio of flow velocity to diffusive velocity) is nearly unity. By applying the hypothesis to natural examples, we can estimate a value of permeable flow velocity of interstitial melts in differentiating magma bodies from values of a band spacing and diffusivity data.

Quantitative, depth-resolved determination of particle motion using multi-exposure, spatial frequency domain laser speckle imaging.

PubMed

Rice, Tyler B; Kwan, Elliott; Hayakawa, Carole K; Durkin, Anthony J; Choi, Bernard; Tromberg, Bruce J

2013-01-01

Laser Speckle Imaging (LSI) is a simple, noninvasive technique for rapid imaging of particle motion in scattering media such as biological tissue. LSI is generally used to derive a qualitative index of relative blood flow due to unknown impact from several variables that affect speckle contrast. These variables may include optical absorption and scattering coefficients, multi-layer dynamics including static, non-ergodic regions, and systematic effects such as laser coherence length. In order to account for these effects and move toward quantitative, depth-resolved LSI, we have developed a method that combines Monte Carlo modeling, multi-exposure speckle imaging (MESI), spatial frequency domain imaging (SFDI), and careful instrument calibration. Monte Carlo models were used to generate total and layer-specific fractional momentum transfer distributions. This information was used to predict speckle contrast as a function of exposure time, spatial frequency, layer thickness, and layer dynamics. To verify with experimental data, controlled phantom experiments with characteristic tissue optical properties were performed using a structured light speckle imaging system. Three main geometries were explored: 1) diffusive dynamic layer beneath a static layer, 2) static layer beneath a diffuse dynamic layer, and 3) directed flow (tube) submerged in a dynamic scattering layer. Data fits were performed using the Monte Carlo model, which accurately reconstructed the type of particle flow (diffusive or directed) in each layer, the layer thickness, and absolute flow speeds to within 15% or better.

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 ...

Effects of carbon on phosphorus diffusion in SiGe:C and the implications on phosphorus diffusion mechanisms

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

Lin, Yiheng; Xia, Guangrui; Yasuda, Hiroshi

2014-10-14

The use of carbon (C) in SiGe base layers is an important approach to control the base layer dopant phosphorus (P) diffusion and thus enhance PNP heterojunction bipolar transistor (HBT) performance. This work quantitatively investigated the carbon impacts on P diffusion in Si₀.₈₂Ge₀.₁₈:C and Si:C under rapid thermal anneal conditions. The carbon molar fraction is up to 0.32%. The results showed that the carbon retardation effect on P diffusion is less effective for Si₀.₈₂Ge₀.₁₈:C than for Si:C. In Si₀.₈₂Ge₀.₁₈:C, there is an optimum carbon content at around 0.05% to 0.1%, beyond which more carbon incorporation does not retard P diffusionmore » any more. This behavior is different from the P diffusion behavior in Si:C and the B in Si:C and low Ge SiGe:C, which can be explained by the decreased interstitial-mediated diffusion fraction f{sub I}{sup P,SiGe} to 95% as Ge content increases to 18%. Empirical models were established to calculate the time-averaged point defect concentrations and effective diffusivities as a function of carbon and was shown to agree with previous studies on boron, phosphorus, arsenic and antimony diffusion with carbon.« less

Application of a self-supporting microporous layer to gas diffusion layers of proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Ito, Hiroshi; Heo, Yun; Ishida, Masayoshi; Nakano, Akihiro; Someya, Satoshi; Munakata, Tetsuo

2017-02-01

The intrinsic effect of properties of a self-supporting microporous layer (MPL) on the performance of proton exchange membrane fuel cells (PEMFCs) is identified. First, a self-supporting MPL is fabricated and applied to a gas diffusion layer (GDL) of a PEMFC, when the GDL is either an integrated sample composed of a gas diffusion backing (GDB, i.e., carbon paper) combined with MPL or a sample with only MPL. Cell performance tests reveal that, the same as the MPL fabricated by the coating method, the self-supporting MPL on the GDB improves the cell performance at high current density. Furthermore, the GDL composed only of the MPL (i.e., GDB-free GDL) shows better performance than does the integrated GDB/MPL GDL. These results along with literature data strongly suggest that the low thermal conductivity of MPL induces a high temperature throughout the GDL, and thus vapor diffusion is dominant in the transport of product water through the MPL.

High mobility, dual layer, c-axis aligned crystalline/amorphous IGZO thin film transistor

NASA Astrophysics Data System (ADS)

Chung, Chen-Yang; Zhu, Bin; Greene, Raymond G.; Thompson, Michael O.; Ast, Dieter G.

2015-11-01

We demonstrate a dual layer IGZO thin film transistor (TFT) consisting of a 310 °C deposited c-axis aligned crystal (CAAC) 20 nm thick channel layer capped by a second, 30 nm thick, 260 °C deposited amorphous IGZO layer. The TFT exhibits a saturation field-effect mobility of ˜20 cm2/V s, exceeding the mobility of 50 nm thick single layer reference TFTs fabricated with either material. The deposition temperature of the second layer influences the mobility of the underlying transport layer. When the cap layer is deposited at room temperature (RT), the mobility in the 310 °C deposited CAAC layer is initially low (6.7 cm2/V s), but rises continuously with time over 58 days to 20.5 cm2/V s, i.e., to the same value as when the second layer is deposited at 260 °C. This observation indicates that the two layers equilibrate at RT with a time constant on the order of 5 × 106 s. An analysis based on diffusive transport indicates that the room temperature diffusivity must be of the order of 1 × 10-18 cm2 s-1 with an activation enthalpy EA < 0.2 eV for the mobility limiting species. The findings are consistent with a hypothesis that the amorphous layer deposited on top of the CAAC has a higher solubility for impurities and/or structural defects than the underlying nanocrystalline transport layer, and that the equilibration of the mobility limiting species is rate limited by hydrogen diffusion, whose known diffusivity fits these estimates.

Limiting diffusion current at rotating disk electrode with dense particle layer.

PubMed

Weroński, P; Nosek, M; Batys, P

2013-09-28

Exploiting the concept of diffusion permeability of multilayer gel membrane and porous multilayer we have derived a simple analytical equation for the limiting diffusion current at rotating disk electrode (RDE) covered by a thin layer with variable tortuosity and porosity, under the assumption of negligible convection in the porous film. The variation of limiting diffusion current with the porosity and tortuosity of the film can be described in terms of the equivalent thickness of stagnant solution layer, i.e., the average ratio of squared tortuosity to porosity. In case of monolayer of monodisperse spherical particles, the equivalent layer thickness is an algebraic function of the surface coverage. Thus, by means of cyclic voltammetry of RDE with a deposited particle monolayer we can determine the monolayer surface coverage. The effect of particle layer adsorbed on the surface of RDE increases non-linearly with surface coverage. We have tested our theoretical results experimentally by means of cyclic voltammetry measurements of limiting diffusion current at the glassy carbon RDE covered with a monolayer of 3 μm silica particles. The theoretical and experimental results are in a good agreement at the surface coverage higher than 0.7. This result suggests that convection in a monolayer of 3 μm monodisperse spherical particles is negligibly small, in the context of the coverage determination, in the range of very dense particle layers.

Anomalous Diffusion of Water in Lamellar Membranes Formed by Pluronic Polymers

NASA Astrophysics Data System (ADS)

Zhang, Zhe; Ohl, Michael; Han, Youngkyu; Smith, Gregory; Do, Changwoo; Biology; Soft-Matter Division, Oak Ridge National Laboratory Team; Julich CenterNeutron Science Team

Water diffusion is playing an important role in polymer systems. We calculated the water diffusion coefficient at different layers along z-direction which is perpendicular to the lamellar membrane formed by Pluronic block copolymers (L62: (EO6-PO34-EO6)) with the molecular dynamics simulation trajectories. Water molecules at bulk layers are following the normal diffusion, while that at hydration layers formed by polyethylene oxide (PEO) and hydrophobic layers formed by polypropylene oxide (PPO) are following anomalous diffusion. We find that although the subdiffusive regimes at PEO layers and PPO layers are the same, which is the fractional Brownian motion, however, the dynamics are different, i.e. diffusion at the PEO layers is much faster than that at the PPO layers, and meanwhile it exhibits a normal diffusive approximation within a short time period which is governed by the localized free self-diffusion, but becomes subdiffusive after t >8 ps, which is governed by the viscoelastic medium. The Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; and Zhe Zhang gratefully acknowledges financial support from Julich Center for Neutron Science.

Optimizing diffusion in multiplexes by maximizing layer dissimilarity

NASA Astrophysics Data System (ADS)

Serrano, Alfredo B.; Gómez-Gardeñes, Jesús; Andrade, Roberto F. S.

2017-05-01

Diffusion in a multiplex depends on the specific link distribution between the nodes in each layer, but also on the set of the intralayer and interlayer diffusion coefficients. In this work we investigate, in a quantitative way, the efficiency of multiplex diffusion as a function of the topological similarity among multiplex layers. This similarity is measured by the distance between layers, taken among the pairs of layers. Results are presented for a simple two-layer multiplex, where one of the layers is held fixed, while the other one can be rewired in a controlled way in order to increase or decrease the interlayer distance. The results indicate that, for fixed values of all intra- and interlayer diffusion coefficients, a large interlayer distance generally enhances the global multiplex diffusion, providing a topological mechanism to control the global diffusive process. For some sets of networks, we develop an algorithm to identify the most sensitive nodes in the rewirable layer, so that changes in a small set of connections produce a drastic enhancement of the global diffusion of the whole multiplex system.

Effects of Mg pre-flow, memory, and diffusion on the growth of p-GaN with MOCVD (Conference Presentation)

NASA Astrophysics Data System (ADS)

Tu, Charng-Gan; Chen, Hao-Tsung; Chen, Sheng-Hung; Chao, Chen-Yao; Kiang, Yean-Woei; Yang, Chih-Chung

2017-02-01

In MOCVD growth, two key factors for growing a p-type structure, when the modulation growth or delta-doping technique is used, include Mg memory and diffusion. With high-temperature growth (>900 degree C), doped Mg can diffuse into the under-layer. Also, due to the high-pressure growth and growth chamber coating in MOCVD, plenty Mg atoms exist in the growth chamber for a duration after Mg supply is ended. In this situation, Mg doping continues in the following designated un-doped layers. In this paper, we demonstrate the study results of Mg preflow, memory, and diffusion. The results show that pre-flow of Mg into the growth chamber can lead to a significantly higher Mg doping concentration in growing a p-GaN layer. In other words, a duration for Mg buildup is required for high Mg incorporation. Based on SIMS study, we find that with the pre-flow growth, a high- and a low-doping p-GaN layer are formed. The doping concentration difference between the two layers is about 10 times. The thickness of the high- (low-) doping layer is about 40 (65) nm. The growth of the high-doping layer starts 10-15 min after Mg supply starts (Mg buildup time). The diffusion length of Mg into the AlGaN layer beneath (Mg content reduced to <5%) is about 10 nm. The memory time of Mg in the growth chamber is about 60 min, after which the Mg doping concentration is reduced to <1%.

A Systematic Procedure to Describe Shale Gas Permeability Evolution during the Production Process

NASA Astrophysics Data System (ADS)

Jia, B.; Tsau, J. S.; Barati, R.

2017-12-01

Gas flow behavior in shales is complex due to the multi-physics nature of the process. Pore size reduces as the in-situ stress increases during the production process, which will reduce intrinsic permeability of the porous media. Slip flow/pore diffusion enhances gas apparent permeability, especially under low reservoir pressures. Adsorption not only increases original gas in place but also influences gas flow behavior because of the adsorption layer. Surface diffusion between free gas and adsorption phase enhances gas permeability. Pore size reduction and the adsorption layer both have complex impacts on gas apparent permeability and non-Darcy flow might be a major component in nanopores. Previously published literature is generally incomplete in terms of coupling of all these four physics with fluid flow during gas production. This work proposes a methodology to simultaneously take them into account to describe a permeability evolution process. Our results show that to fully describe shale gas permeability evolution during gas production, three sets of experimental data are needed initially: 1) intrinsic permeability under different in-situ stress, 2) adsorption isotherm under reservoir conditions and 3) surface diffusivity measurement by the pulse-decay method. Geomechanical effects, slip flow/pore diffusion, adsorption layer and surface diffusion all play roles affecting gas permeability. Neglecting any of them might lead to misleading results. The increasing in-situ stress during shale gas production is unfavorable to shale gas flow process. Slip flow/pore diffusion is important for gas permeability under low pressures in the tight porous media. They might overwhelm the geomechanical effect and enhance gas permeability at low pressures. Adsorption layer reduces the gas permeability by reducing the effective pore size, but the effect is limited. Surface diffusion increases gas permeability more under lower pressures. The total gas apparent permeability might keep increasing during the gas production process when the surface diffusivity is larger than a critical value. We believe that our workflow proposed in this study will help describe shale gas permeability evolution considering all the underlying physics altogether.

Optical measurements of absorption changes in two-layered diffusive media

NASA Astrophysics Data System (ADS)

Fabbri, Francesco; Sassaroli, Angelo; Henry, Michael E.; Fantini, Sergio

2004-04-01

We have used Monte Carlo simulations for a two-layered diffusive medium to investigate the effect of a superficial layer on the measurement of absorption variations from optical diffuse reflectance data processed by using: (a) a multidistance, frequency-domain method based on diffusion theory for a semi-infinite homogeneous medium; (b) a differential-pathlength-factor method based on a modified Lambert-Beer law for a homogeneous medium and (c) a two-distance, partial-pathlength method based on a modified Lambert-Beer law for a two-layered medium. Methods (a) and (b) lead to a single value for the absorption variation, whereas method (c) yields absorption variations for each layer. In the simulations, the optical coefficients of the medium were representative of those of biological tissue in the near-infrared. The thickness of the first layer was in the range 0.3-1.4 cm, and the source-detector distances were in the range 1-5 cm, which is typical of near-infrared diffuse reflectance measurements in tissue. The simulations have shown that (1) method (a) is mostly sensitive to absorption changes in the underlying layer, provided that the thickness of the superficial layer is ~0.6 cm or less; (2) method (b) is significantly affected by absorption changes in the superficial layer and (3) method (c) yields the absorption changes for both layers with a relatively good accuracy of ~4% for the superficial layer and ~10% for the underlying layer (provided that the absorption changes are less than 20-30% of the baseline value). We have applied all three methods of data analysis to near-infrared data collected on the forehead of a human subject during electroconvulsive therapy. Our results suggest that the multidistance method (a) and the two-distance partial-pathlength method (c) may better decouple the contributions to the optical signals that originate in deeper tissue (brain) from those that originate in more superficial tissue layers.

Directed Vertical Diffusion of Photovoltaic Active Layer Components into Porous ZnO-Based Cathode Buffer Layers.

PubMed

Kang, Jia-Jhen; Yang, Tsung-Yu; Lan, Yi-Kang; Wu, Wei-Ru; Su, Chun-Jen; Weng, Shih-Chang; Yamada, Norifumi L; Su, An-Chung; Jeng, U-Ser

2018-04-01

Cathode buffer layers (CBLs) can effectively further the efficiency of polymer solar cells (PSCs), after optimization of the active layer. Hidden between the active layer and cathode of the inverted PSC device configuration is the critical yet often unattended vertical diffusion of the active layer components across CBL. Here, a novel methodology of contrast variation with neutron and anomalous X-ray reflectivity to map the multicomponent depth compositions of inverted PSCs, covering from the active layer surface down to the bottom of the ZnO-based CBL, is developed. Uniquely revealed for a high-performance model PSC are the often overlooked porosity distributions of the ZnO-based CBL and the differential diffusions of the polymer PTB7-Th and fullerene derivative PC 71 BM of the active layer into the CBL. Interface modification of the ZnO-based CBL with fullerene derivative PCBEOH for size-selective nanochannels can selectively improve the diffusion of PC 71 BM more than that of the polymer. The deeper penetration of PC 71 BM establishes a gradient distribution of fullerene derivatives over the ZnO/PCBE-OH CBL, resulting in markedly improved electron mobility and device efficiency of the inverted PSC. The result suggests a new CBL design concept of progressive matching of the conduction bands. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of Index of Refraction on Radiation Characteristics in a Heated Absorbing, Emitting, and Scattering Layer

NASA Technical Reports Server (NTRS)

Siegel, R.; Spuckler, C. M.

1992-01-01

The index of refraction can considerably influence the temperature distribution and radiative heat flow in semitransparent materials such as some ceramics. For external radiant heating, the refractive index influences the amount of energy transmitted into the interior of the material. Emission within a material depends on the square of its refractive index, and hence this emission can be many times that for a biackbody radiating into a vacuum. Since radiation exiting through an interface into a vacuum cannot exceed that of a blackbody, there is extensive reflection at the internal surface of an interface, mostly by total internal reflection. This redistributes energy within the layer and tends to make its temperature distribution more uniform. The purpose of the present analysis is to show that, for radiative equilibrium in a gray layer with diffuse interfaces, the temperature distribution and radiative heat flux for any index of refraction can be obtained very simply from the results for an index of refraction of unity. For the situation studied here, the layer is subjected to external radiative heating incident on each of its surfaces. The material emits, absorbs, and isotropically scatters radiation. For simplicity the index of refraction is unity in the medium surrounding the layer. The surfaces of the layer are assumed diffuse. This is probably a reasonable approximation for a ceramic layer that has not been polished. When transmitted radiation or radiation emitted from the interior reaches the inner surface of an interface, the radiation is diffused and some of it thereby placed into angular directions for which there is total internal reflection. This provides a trapping effect for retaining energy within the layer and tends to equalize its temperature distribution. An analysis of temperature distributions in absorbing-emitting layers, including index of refraction effects, was developed by Gardon (1958) to predict cooling and heat treating of glass plates. The interfaces were optically smooth; the resulting specular reflections were computed from the Fresnel reflection laws. This provides a somewhat different behavior than for diffuse interfaces. A similar application was for heating that occurs in a window of a re-entry vehicle (Fowle et al., 1969). A number of recent papers (Rokhsaz and Dougherty, 1989; Ping and Lallemand, 1989; Crosbie and Shieh, 1990) further examined the effects of Fresnel boundary reflections and nonunity refractive index. Other examples of analyses of both steady and transient heat transfer to single or multiple plane layers (Amlin and Korpela, 1979; Tarshis et al., 1969) have used diffuse assumptions at the interfaces as in the present study

Bulk and contact resistances of gas diffusion layers in proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Ye, Donghao; Gauthier, Eric; Benziger, Jay B.; Pan, Mu

2014-06-01

A multi-electrode probe is employed to distinguish the bulk and contact resistances of the catalyst layer (CL) and the gas diffusion layer (GDL) with the bipolar plate (BPP). Resistances are compared for Vulcan carbon catalyst layers (CL), carbon paper and carbon cloth GDL materials, and GDLs with microporous layers (MPL). The Vulcan carbon catalyst layer bulk resistance is 100 times greater than the bulk resistance of carbon paper GDL (Toray TG-H-120). Carbon cloth (CCWP) has bulk and contact resistances twice those of carbon paper. Compression of the GDL decreases the GDL contact resistance, but has little effect on the bulk resistance. Treatment of the GDL with polytetrafluoroethylene (PTFE) increases the contact resistance, but has little effect on the bulk resistance. A microporous layer (MPL) added to the GDL decreases the contact resistance, but has little effect on the bulk resistance. An equivalent circuit model shows that for channels less than 1 mm wide the contact resistance is the major source of electronic resistance and is about 10% of the total ohmic resistance associated with the membrane electrode assembly.

Conductive polymer layers to limit transfer of fuel reactants to catalysts of fuel cells to reduce reactant crossover

DOEpatents

Stanis, Ronald J.; Lambert, Timothy N.

2016-12-06

An apparatus of an aspect includes a fuel cell catalyst layer. The fuel cell catalyst layer is operable to catalyze a reaction involving a fuel reactant. A fuel cell gas diffusion layer is coupled with the fuel cell catalyst layer. The fuel cell gas diffusion layer includes a porous electrically conductive material. The porous electrically conductive material is operable to allow the fuel reactant to transfer through the fuel cell gas diffusion layer to reach the fuel cell catalyst layer. The porous electrically conductive material is also operable to conduct electrons associated with the reaction through the fuel cell gas diffusion layer. An electrically conductive polymer material is coupled with the fuel cell gas diffusion layer. The electrically conductive polymer material is operable to limit transfer of the fuel reactant to the fuel cell catalyst layer.

Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

DOEpatents

Lessing, Paul A [Idaho Falls, ID

2008-07-22

An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

DOEpatents

Lessing, Paul A.

2004-09-07

An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

The layer boundary effect on multi-layer mesoporous TiO 2 film based dye sensitized solar cells

DOE PAGES

Xu, Feng; Zhu, Kai; Zhao, Yixin

2016-10-10

Multi-layer mesoporous TiO 2 prepared by screen printing is widely used for fabrication of high-efficiency dye-sensitized solar cells (DSSCs). Here, we compare the three types of ~10 um thick mesoporous TiO 2 films, which were screen printed as 1-, 2- and 4-layers using the same TiO 2 nanocrystal paste. The layer boundary of the multi-layer mesoporous TiO 2 films was observed in the cross-section SEM. The existence of a layer boundary could reduce the photoelectron diffusion length with the increase of layer number. However, the photoelectron diffusion lengths of the Z907 dye sensitized solar cells based on these different layeredmore » mesoporous TiO 2 films are all longer than the film thickness. Consequently, the photovoltaic performance seems to have little dependence on the layer number of the multi-layer TiO 2 based DSSCs.« less

The layer boundary effect on multi-layer mesoporous TiO 2 film based dye sensitized solar cells

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

Xu, Feng; Zhu, Kai; Zhao, Yixin

Multi-layer mesoporous TiO 2 prepared by screen printing is widely used for fabrication of high-efficiency dye-sensitized solar cells (DSSCs). Here, we compare the three types of ~10 um thick mesoporous TiO 2 films, which were screen printed as 1-, 2- and 4-layers using the same TiO 2 nanocrystal paste. The layer boundary of the multi-layer mesoporous TiO 2 films was observed in the cross-section SEM. The existence of a layer boundary could reduce the photoelectron diffusion length with the increase of layer number. However, the photoelectron diffusion lengths of the Z907 dye sensitized solar cells based on these different layeredmore » mesoporous TiO 2 films are all longer than the film thickness. Consequently, the photovoltaic performance seems to have little dependence on the layer number of the multi-layer TiO 2 based DSSCs.« less

Vanadium diffusion coating on HT-9 cladding for mitigating the fuel cladding chemical interactions

NASA Astrophysics Data System (ADS)

Lo, Wei-Yang; Yang, Yong

2014-08-01

Fuel cladding chemical interaction (FCCI) has been identified as one of the crucial issues for developing Ferritic/Martensitic (F/M) stainless steel claddings for metallic fuels in a fast reactor. The anticipated elevated temperature and high neutron flux can significantly aggravate the FCCI, in terms of formation of inter-diffusion and lower melting point eutectic phases. To mitigate the FCCI, vanadium carbide coating as a diffusion barrier was deposited on the HT-9 substrate using a pack cementation diffusion coating (PCDC) method, and the processing temperature was optimized down to 730 °C. A solid metallurgical bonding between the coating layer and substrate was achieved, and the coating is free from through depth cracks. The microstructural characterizations using SEM and TEM show a nanostructured grain structure. EDS/WDS and XRD analysis confirm the phase of coating layer as V2C. Diffusion couple tests at 660 °C for 100 h demonstrate that V2C layer with a thickness of less than 5 μm can effectively eliminate the inter-diffusion between the lanthanide cerium and HT-9 steel.

Peclet number analysis of cross-flow in porous gas diffusion layer of polymer electrolyte membrane fuel cell (PEMFC).

PubMed

Suresh, P V; Jayanti, Sreenivas

2016-10-01

Adoption of hydrogen economy by means of using hydrogen fuel cells is one possible solution for energy crisis and climate change issues. Polymer electrolyte membrane (PEM) fuel cell, which is an important type of fuel cells, suffers from the problem of water management. Cross-flow is induced in some flow field designs to enhance the water removal. The presence of cross-flow in the serpentine and interdigitated flow fields makes them more effective in proper distribution of the reactants on the reaction layer and evacuation of water from the reaction layer than diffusion-based conventional parallel flow fields. However, too much of cross-flow leads to flow maldistribution in the channels, higher pressure drop, and membrane dehydration. In this study, an attempt has been made to quantify the amount of cross-flow required for effective distribution of reactants and removal of water in the gas diffusion layer. Unit cells containing two adjacent channels with gas diffusion layer (GDL) and catalyst layer at the bottom have been considered for the parallel, interdigitated, and serpentine flow patterns. Computational fluid dynamics-based simulations are carried out to study the reactant transport in under-the-rib area with cross-flow in the GDL. A new criterion based on the Peclet number is presented as a quantitative measure of cross-flow in the GDL. The study shows that a cross-flow Peclet number of the order of 2 is required for effective removal of water from the GDL. Estimates show that this much of cross-flow is not usually produced in the U-bends of Serpentine flow fields, making these areas prone to flooding.

Core-shell fuel cell electrodes

DOEpatents

Adzic, Radoslav; Bliznakov, Stoyan; Vukmirovic, Miomir

2017-07-25

Embodiments of the disclosure relate to electrocatalysts. The electrocatalyst may include at least one gas-diffusion layer having a first side and a second side, and particle cores adhered to at least one of the first and second sides of the at least one gas-diffusion layer. The particle cores includes surfaces adhered to the at least one of the first and second sides of the at least one gas-diffusion layer and surfaces not in contact with the at least one gas-diffusion layer. Furthermore, a thin layer of catalytically atoms may be adhered to the surfaces of the particle cores not in contact with the at least one gas-diffusion layer.

Mass Conservation in Modeling Moisture Diffusion in Multi-Layer Carbon Composite Structures

NASA Technical Reports Server (NTRS)

Nurge, Mark A.; Youngquist, Robert C.; Starr, Stanley O.

2009-01-01

Moisture diffusion in multi-layer carbon composite structures is difficult to model using finite difference methods due to the discontinuity in concentrations between adjacent layers of differing materials. Applying a mass conserving approach at these boundaries proved to be effective at accurately predicting moisture uptake for a sample exposed to a fixed temperature and relative humidity. Details of the model developed are presented and compared with actual moisture uptake data gathered over 130 days from a graphite epoxy composite sandwich coupon with a Rohacell foam core.

Prediction of Laminar and Turbulent Boundary Layer Flow Separation in V/STOL Engine Inlets

NASA Technical Reports Server (NTRS)

Chou, D. C.; Luidens, R. W.; Stockman, N. O.

1977-01-01

A description is presented of the development of the boundary layer on the lip and diffuser surface of a subsonic inlet at arbitrary operating conditions of mass flow rate, free stream velocity and incidence angle. Both laminar separation on the lip and turbulent separation in the diffuser are discussed. The agreement of the theoretical results with model experimental data illustrates the capability of the theory to predict separation. The effects of throat Mach number, inlet size, and surface roughness on boundary layer development and separation are illustrated.

New Layer Thickness Parameterization of Diffusive Convection

NASA Astrophysics Data System (ADS)

Zhou, Sheng-Qi; Lu, Yuan-Zheng; Guo, Shuang-Xi; Song, Xue-Long; Qu, Ling; Cen, Xian-Rong; Fer, Ilker

2017-11-01

Double-diffusion convection is one of the most important non-mechanically driven mixing processes. Its importance has been particular recognized in oceanography, material science, geology, and planetary physics. Double-diffusion occurs in a fluid in which there are gradients of two (or more) properties with different molecular diffusivities and of opposing effects on the vertical density distribution. It has two primary modes: salt finger and diffusive convection. Recently, the importance of diffusive convection has aroused more interest due to its impact to the diapycnal mixing in the interior ocean and the ice and the ice-melting in the Arctic and Antarctic Oceans. In our recent work, we constructed a length scale of energy-containing eddy and proposed a new layer thickness parameterization of diffusive convection by using the laboratory experiment and in situ observations in the lakes and oceans. The new parameterization can well describe the laboratory convecting layer thicknesses (0.01 0.1 m) and those observed in oceans and lakes (0.1 1000 m). This work was supported by China NSF Grants (41476167,41406035 and 41176027), NSF of Guangdong Province, China (2016A030311042) and the Strategic Priority Research Program of the Chinese Academy of Sciences (XDA11030302).

Phototransformation Rate Constants of PAHs Associated with Soot Particles

PubMed Central

Kim, Daekyun; Young, Thomas M.; Anastasio, Cort

2013-01-01

Photodegradation is a key process governing the residence time and fate of polycyclic aromatic hydrocarbons (PAHs) in particles, both in the atmosphere and after deposition. We have measured photodegradation rate constants of PAHs in bulk deposits of soot particles illuminated with simulated sunlight. The photodegradation rate constants at the surface (k0p), the effective diffusion coefficients (Deff), and the light penetration depths (z0.5) for PAHs on soot layers of variable thickness were determined by fitting experimental data with a model of coupled photolysis and diffusion. The overall disappearance rates of irradiated low molecular weight PAHs (with 2-3 rings) on soot particles were influenced by fast photodegradation and fast diffusion kinetics, while those of high molecular weight PAHs (with 4 or more rings) were apparently controlled by either the combination of slow photodegradation and slow diffusion kinetics or by very slow diffusion kinetics alone. The value of z0.5 is more sensitive to the soot layer thickness than the k0p value. As the thickness of the soot layer increases, the z0.5 values increase, but the k0p values are almost constant. The effective diffusion coefficients calculated from dark experiments are generally higher than those from the model fitting method for illumination experiments. Due to the correlation between k0p and z0.5 in thinner layers, Deff should be estimated by an independent method for better accuracy. Despite some limitations of the model used in this study, the fitted parameters were useful for describing empirical results of photodegradation of soot-associated PAHs. PMID:23247292

Effect of the nano-oxide layer as a Mn diffusion barrier in specular spin valves

NASA Astrophysics Data System (ADS)

Jang, S. H.; Kang, T.; Kim, H. J.; Kim, K. Y.

2002-07-01

In previous work an enhanced giant magnetoresistance (GMR) effect in spin valves (SVs) with a nano-oxide layer (NOL) after annealing at about 250-300 degC has been reported. We have shown that SVs with a NOL also have higher thermal stability of the MR ratio at 300 degC. From secondary-ion-mass spectroscopy and x-ray photoelectron spectroscopy depth profile analysis, the mechanism of the improved thermal stability of the SVs with a NOL is shown to be related to MnO formation within the NOL. Thus, Mn atoms from the FeMn layer are trapped, and Mn diffusion is inhibited by the NOL during annealing.

A Fast Hyperspectral Vector Radiative Transfer Model in UV to IR spectral bands

NASA Astrophysics Data System (ADS)

Ding, J.; Yang, P.; Sun, B.; Kattawar, G. W.; Platnick, S. E.; Meyer, K.; Wang, C.

2016-12-01

We develop a fast hyperspectral vector radiative transfer model with a spectral range from UV to IR with 5 nm resolutions. This model can simulate top of the atmosphere (TOA) diffuse radiance and polarized reflectance by considering gas absorption, Rayleigh scattering, and aerosol and cloud scattering. The absorption component considers several major atmospheric absorbers such as water vapor, CO2, O3, and O2 including both line and continuum absorptions. A regression-based method is used to parameterize the layer effective optical thickness for each gas, which substantially increases the computation efficiency for absorption while maintaining high accuracy. This method is over 500 times faster than the existing line-by-line method. The scattering component uses the successive order of scattering (SOS) method. For Rayleigh scattering, convergence is fast due to the small optical thickness of atmospheric gases. For cloud and aerosol layers, a small-angle approximation method is used in SOS calculations. The scattering process is divided into two parts, a forward part and a diffuse part. The scattering in the small-angle range in the forward direction is approximated as forward scattering. A cloud or aerosol layer is divided into thin layers. As the ray propagates through each thin layer, a portion diverges as diffuse radiation, while the remainder continues propagating in forward direction. The computed diffuse radiance is the sum of all of the diffuse parts. The small-angle approximation makes the SOS calculation converge rapidly even in a thick cloud layer.

Resistance switching mode transformation in SrRuO3/Cr-doped SrZrO3/Pt frameworks via a thermally activated Ti out-diffusion process

PubMed Central

Jo, Yongcheol; Jung, Kyooho; Kim, Jongmin; Woo, Hyeonseok; Han, Jaeseok; Kim, Hyungsang; Hong, Jinpyo; Lee, Jeon-Kook; Im, Hyunsik

2014-01-01

This work reports on a mechanism for irreversible resistive switching (RS) transformation from bipolar to unipolar RS behavior in SrRuO3 (SRO)/Cr-doped SrZrO3 (SZO:Cr)/Pt capacitor structures prepared on a Ti/SiO2/Si substrate. Counter-clockwise bipolar RS memory current-voltage (I–V) characteristics are observed within the RS voltage window of −2.5 to +1.9 V, with good endurance and retention properties. As the bias voltage increases further beyond 4 V under a forward bias, a forming process occurs resulting in irreversible RS mode transformation from bipolar to unipolar mode. This switching mode transformation is a direct consequence of thermally activated Ti out-diffusion from a Ti adhesion layer. Transition metal Ti effectively out-diffuses through the loose Pt electrode layer at high substrate temperatures, leading to the unintended formation of a thin titanium oxide (TiOx where x < 2) layer between the Pt electrode and the SZO:Cr layer as well as additional Ti atoms in the SZO:Cr layer. Cross-sectional scanning electron microscopy, transmission electron microscopy and Auger electron spectroscopy depth-profile measurements provided apparent evidence of the Ti out-diffusion phenomenon. We propose that the out-diffusion-induced additional Ti atoms in the SZO:Cr layer contributes to the creation of the metallic filamentary channels. PMID:25483325

Manipulation of heat-diffusion channel in laser thermal lithography.

PubMed

Wei, Jingsong; Wang, Yang; Wu, Yiqun

2014-12-29

Laser thermal lithography is a good alternative method for forming small pattern feature size by taking advantage of the structural-change threshold effect of thermal lithography materials. In this work, the heat-diffusion channels of laser thermal lithography are first analyzed, and then we propose to manipulate the heat-diffusion channels by inserting thermal conduction layers in between channels. Heat-flow direction can be changed from the in-plane to the out-of-plane of the thermal lithography layer, which causes the size of the structural-change threshold region to become much smaller than the focused laser spot itself; thus, nanoscale marks can be obtained. Samples designated as "glass substrate/thermal conduction layer/thermal lithography layer (100 nm)/thermal conduction layer" are designed and prepared. Chalcogenide phase-change materials are used as thermal lithography layer, and Si is used as thermal conduction layer to manipulate heat-diffusion channels. Laser thermal lithography experiments are conducted on a home-made high-speed rotation direct laser writing setup with 488 nm laser wavelength and 0.90 numerical aperture of converging lens. The writing marks with 50-60 nm size are successfully obtained. The mark size is only about 1/13 of the focused laser spot, which is far smaller than that of the light diffraction limit spot of the direct laser writing setup. This work is useful for nanoscale fabrication and lithography by exploiting the far-field focusing light system.

Core-shell fuel cell electrodes

DOEpatents

Adzic, Radoslav; Bliznakov, Stoyan; Vukmirovic, Miomir

2017-12-26

Embodiments of the disclosure relate to membrane electrode assemblies. The membrane electrode assembly may include at least one gas-diffusion layer having a first side and a second side, and particle cores adhered to at least one of the first and second sides of the at least one gas-diffusion layer. The particle cores includes surfaces adhered to the at least one of the first and second sides of the at least one gas-diffusion layer and surfaces not in contact with the at least one gas-diffusion layer. Furthermore, a thin layer of catalytically atoms may be adhered to the surfaces of the particle cores not in contact with the at least one gas-diffusion layer.

Influence of microemulsion-mucin interaction on the fate of microemulsions diffusing through pig gastric mucin solutions.

PubMed

Zhang, Jianbin; Lv, Yan; Wang, Bing; Zhao, Shan; Tan, Mingqian; Lv, Guojun; Ma, Xiaojun

2015-03-02

Mucus layer, a selective diffusion barrier, has an important effect on the fate of drug delivery systems in the gastrointestinal tract. To study the fate of microemulsions in the mucus layer, four microemulsion formulations with different particle sizes and lipid compositions were prepared. The microemulsion-mucin interaction was demonstrated by the fluorescence resonance energy transfer (FRET) method. Moreover, the microemulsions were observed aggregated into micron-sized emulsions by laser confocal microscopy. We concluded the microemulsion-mucin interaction not only led to microemulsions closely adhered to mucins but also destroyed the structure of microemulsions. At last, the diffusion of blank microemulsions and microemulsion-carried drugs (resveratrol and hymecromone) through mucin solutions was determined by the fluorescence recovery after photobleaching (FRAP) method and the Franz diffusion cell method. The results demonstrated the diffusion of microemulsions was significantly hindered by mucin solutions. The particle size of microemulsions had a negligible effect on the diffusion coefficients. However, the type of lipid played an important role, which could form hydrophobic interactions with mucins. Interestingly, microemulsion-carried drugs with different core/shell locations seemed to suffer different fates in the mucin solutions. The drug incorporated in the oil core of microemulsions, resveratrol, was transported through the mucus layer by the carriers, while the drug incorporated in the surfactant shell of microemulsions, hymecromone, was separated from the carriers and diffused toward the epithelium in the form of free molecules.

Long-time self-diffusion of charged spherical colloidal particles in parallel planar layers.

PubMed

Contreras-Aburto, Claudio; Báez, César A; Méndez-Alcaraz, José M; Castañeda-Priego, Ramón

2014-06-28

The long-time self-diffusion coefficient, D(L), of charged spherical colloidal particles in parallel planar layers is studied by means of Brownian dynamics computer simulations and mode-coupling theory. All particles (regardless which layer they are located on) interact with each other via the screened Coulomb potential and there is no particle transfer between layers. As a result of the geometrical constraint on particle positions, the simulation results show that D(L) is strongly controlled by the separation between layers. On the basis of the so-called contraction of the description formalism [C. Contreras-Aburto, J. M. Méndez-Alcaraz, and R. Castañeda-Priego, J. Chem. Phys. 132, 174111 (2010)], the effective potential between particles in a layer (the so-called observed layer) is obtained from integrating out the degrees of freedom of particles in the remaining layers. We have shown in a previous work that the effective potential performs well in describing the static structure of the observed layer (loc. cit.). In this work, we find that the D(L) values determined from the simulations of the observed layer, where the particles interact via the effective potential, do not agree with the exact values of D(L). Our findings confirm that even when an effective potential can perform well in describing the static properties, there is no guarantee that it will correctly describe the dynamic properties of colloidal systems.

Investigating fuel-cell transport limitations using hydrogen limiting current

DOE PAGES

Spingler, Franz B.; Phillips, Adam; Schuler, Tobias; ...

2017-03-09

Reducing mass-transport losses in polymer-electrolyte fuel cells (PEFCs) is essential to increase their power density and reduce overall stack cost. At the same time, cost also motivates the reduction in expensive precious-metal catalysts, which results in higher local transport losses in the catalyst layers. Here, we use a hydrogen-pump limiting-current setup to explore the gas-phase transport losses through PEFC catalyst layers and various gas-diffusion and microporous layers. It is shown that the effective diffusivity in the gas-diffusion layers is a strong function of liquid saturation. Additionally, it is shown how the catalyst layer unexpectedly contributes significantly to the overall measuredmore » transport resistance. This is especially true for low catalyst loadings. It is also shown how the various losses can be separated into different mechanisms including diffusional processes and mass-dependent and independent ones, where the data suggests that a large part of the transport resistance in catalyst layers cannot be attributed to a gas-phase diffusional process. The technique is promising for deconvoluting transport losses in PEFCs.« less

Experimental analysis of two-layered dissimilar metals by roll bonding

NASA Astrophysics Data System (ADS)

Zhao, Guanghui; Li, Yugui; Li, Juan; Huang, Qingxue; Ma, Lifeng

2018-02-01

Rolling reduction and base layers thickness have important implications for rolling compounding. A two-layered 304 stainless steel/Q345R low alloyed steel was roll bonded. The roll bonding was performed at the three thickness reductions of 25%, 40% and 55% with base layers of various thicknesses (Q345R). The microstructures of the composite were investigated by the ultra-deep microscope (OM) and scanning electron microscope (SEM) and Transmission electron microscope (TEM). Simultaneously, the mechanical properties of the composite were experimentally measured and the tensile fracture surfaces were observed by SEM. The interfaces were successfully bonded without any cracking or voids, which indicated a good fabrication of the 304/Q345R composite. The rolling reduction rate and thinning increase of the substrate contributed to the bonding effects appearance of the roll bonded sheet. The Cr and Ni enriched diffusion layer was formed by the interface elements diffusion. The Cr and Ni diffusion led to the formation of ˜10 μm wide Cr and Ni layers on the carbon steel side.

On the meaning of the diffusion layer thickness for slow electrode reactions.

PubMed

Molina, A; González, J; Laborda, E; Compton, R G

2013-02-21

A key concept underpinning electrochemical science is that of the diffusion layer - the zone of depletion around an electrode accompanying electrolysis. The size of this zone can be found either from the simulated or measured concentration profiles (yielding the 'true' diffusion layer thickness) or, in the case of the Nernst ('linear') diffusion layer by extrapolating the concentration gradient at the electrode surface to the distance at which the concentration takes its bulk value. The latter concept is very well developed in the case of fast (so-called reversible) electrode processes, however the study of the linear diffusion layer has received scant attention in the case of slow charge transfer processes, despite its study being of great interest in the analysis of the influence of different experimental variables which determine the electrochemical response. Analytical explicit solutions for the concentration profiles, surface concentrations and real and linear diffusion layers corresponding to the application of a potential step to a slow charge transfer process are presented. From these expressions the dependence of the diffusion layer thickness on the potential, pulse time, heterogeneous rate constant and ratio of bulk concentrations of electroactive species and of diffusion coefficients is quantified. A profound influence of the reversibility degree of the charge transfer on the diffusion layer thickness is clear, showing that for non-reversible processes the real and linear diffusion layers reveal a minimum thickness which coincides with the equilibrium potential of the redox couple in the former case and with the reversible half-wave potential in the latter one.

Discrete multi-physics simulations of diffusive and convective mass transfer in boundary layers containing motile cilia in lungs.

PubMed

Ariane, Mostapha; Kassinos, Stavros; Velaga, Sitaram; Alexiadis, Alessio

2018-04-01

In this paper, the mass transfer coefficient (permeability) of boundary layers containing motile cilia is investigated by means of discrete multi-physics. The idea is to understand the main mechanisms of mass transport occurring in a ciliated-layer; one specific application being inhaled drugs in the respiratory epithelium. The effect of drug diffusivity, cilia beat frequency and cilia flexibility is studied. Our results show the existence of three mass transfer regimes. A low frequency regime, which we called shielding regime, where the presence of the cilia hinders mass transport; an intermediate frequency regime, which we have called diffusive regime, where diffusion is the controlling mechanism; and a high frequency regime, which we have called convective regime, where the degree of bending of the cilia seems to be the most important factor controlling mass transfer in the ciliated-layer. Since the flexibility of the cilia and the frequency of the beat changes with age and health conditions, the knowledge of these three regimes allows prediction of how mass transfer varies with these factors. Copyright © 2018 Elsevier Ltd. All rights reserved.

Effect of diffusion annealing regimes on the structure of Nb3Sn layers in ITER-type bronze-processed wires

NASA Astrophysics Data System (ADS)

Valova-Zaharevskaya, E. G.; Popova, E. N.; Deryagina, I. L.; Abdyukhanov, I. M.; Tsapleva, A. S.

2018-03-01

The goal of the present study is to characterize the growth kinetics and structural parameters of the Nb3Sn layers formed under various regimes of the diffusion annealing of bronze-processed Nb/Cu-Sn composites. The structure of the superconducting layers is characterized by their thickness, average size of equiaxed grains and by the ratio of fractions of columnar and equiaxed grains. It was found that at higher diffusion annealing temperatures (above 650°C) thicker superconducting layers are obtained, but the average sizes of equiaxed Nb3Sn grains even under short exposures (10 h) are much larger than after the long low-temperature annealing. At the low-temperature (575 °C) annealing the relative fraction of columnar grains increases with increasing annealing time. Based on the data obtained, optimal regimes of the diffusion annealing can be chosen, which would on the one hand ensure complete transformation of Nb into Nb3Sn of close to the stoichiometric composition, and on the other hand prevent the formation of coarse and columnar grains.

Superplastic Forming/Diffusion Bonding Without Interlayer of 5A90 Al-Li Alloy Hollow Double-Layer Structure

NASA Astrophysics Data System (ADS)

Jiang, Shaosong; Jia, Yong; Lu, Zhen; Shi, Chengcheng; Zhang, Kaifeng

2017-09-01

The hollow double-layer structure of 5A90 Al-Li alloy was fabricated by SPF/DB process in this study. The characteristics and mechanism of 5A90 Al-Li alloy with respect to superplasticity and diffusion bonding were investigated. Tensile tests showed that the optimal elongation of tensile specimens was 243.97% at the temperature of 400 °C and the strain rate of 0.001 s-1. Effect of the surface roughness, bonding temperature and bonding time to determine the microstructure and mechanical properties of diffusion bonding joints was investigated, and the optimum bonding parameters were 540 °C/2.5 h/Ra18. Through the finite element simulation, it could be found that the SPF/DB process of hollow double-layer structure was feasible. The hollow double-layer structure of 5A90 Al-Li alloy was manufactured, showing that the thickness distribution of the bonding area was uniform and the thinnest part was the round corner. The SEM images of diffusion bonding joints showed that sound bonding interfaces were obtained in which no discontinuity existed.

Effects of Sn Layer Orientation on the Evolution of Cu/Sn Interfaces

NASA Astrophysics Data System (ADS)

Sun, Menglong; Zhao, Zhangjian; Hu, Fengtian; Hu, Anmin; Li, Ming; Ling, Huiqin; Hang, Tao

2018-03-01

The effects of Sn layer orientation on the evolution of Cu/Sn joint interfaces were investigated. Three Sn layers possessing (112), (321) and (420) orientations were electroplated on polycrystalline Cu substrates respectively. The orientations of Sn layer preserved during reflowing at 250 °C for 10 s. After aging at 150 °C for different time, the interfacial microstructures were observed from the cross-section and top-view. The alignment between the c-axis of Sn and Cu diffusion direction significantly sped up the Cu diffusion, leading to the thickest intermetallic compound layer formed in (112) joint. Two types of voids, namely, intracrystalline voids and grain islanding caused intercrystalline voids generated at Cu/Cu3Sn interfaces due to the different interdiffusion coefficients of Cu and Sn (112) oriented Sn/Cu joint produced many more voids than (321) joint, and no voids were detected in (420) joint. Therefore, to enhance the reliability of solder joints, using (420) oriented Sn as solder layer could be an efficient way.

Controlling the Release of Indomethacin from Glass Solutions Layered with a Rate Controlling Membrane Using Fluid-Bed Processing. Part 2: The Influence of Formulation Parameters on Drug Release.

PubMed

Dereymaker, Aswin; Pelgrims, Jirka; Engelen, Frederik; Adriaensens, Peter; Van den Mooter, Guy

2017-04-03

This study aimed to investigate the pharmaceutical performance of an indomethacin-polyvinylpyrrolidone (PVP) glass solution applied using fluid bed processing as a layer on inert sucrose spheres and subsequently top-coated with a release rate controlling membrane consisting of either ethyl cellulose or Eudragit RL. The implications of the addition of a pore former (PVP) and the coating medium (ethanol or water) on the diffusion and release behavior were also considered. In addition, the role of a charge interaction between drug and controlled release polymer on the release was investigated. Diffusion experiments pointed to the influence of pore former concentration, rate controlling polymer type, and coating solvent on the permeability of the controlled release membranes. This can be translated to drug release tests, which show the potential of diffusion tests as a preliminary screening test and that diffusion is the main factor influencing release. Drug release tests also showed the effect of coating layer thickness. A charge interaction between INDO and ERL was demonstrated, but this had no negative effect on drug release. The higher diffusion and release observed in ERL-based rate controlling membranes was explained by a higher hydrophilicity, compared to EC.

Theoretical examination of effective oxygen diffusion coefficient and electrical conductivity of polymer electrolyte fuel cell porous components

NASA Astrophysics Data System (ADS)

Inoue, Gen; Yokoyama, Kouji; Ooyama, Junpei; Terao, Takeshi; Tokunaga, Tomomi; Kubo, Norio; Kawase, Motoaki

2016-09-01

The reduction of oxygen transfer resistance through porous components consisting of a gas diffusion layer (GDL), microporous layer (MPL), and catalyst layer (CL) is very important to reduce the cost and improve the performance of a PEFC system. This study involves a systematic examination of the relationship between the oxygen transfer resistance of the actual porous components and their three-dimensional structure by direct measurement with FIB-SEM and X-ray CT. Numerical simulations were carried out to model the properties of oxygen transport. Moreover, based on the model structure and theoretical equations, an approach to the design of new structures is proposed. In the case of the GDL, the binder was found to obstruct gas diffusion with a negative effect on performance. The relative diffusion coefficient of the MPL is almost equal to that of the model structure of particle packing. However, that of CL is an order of magnitude less than those of the other two components. Furthermore, an equation expressing the relative diffusion coefficient of each component can be obtained with the function of porosity. The electrical conductivity of MPL, which is lower than that of the carbon black packing, is considered to depend on the contact resistance.

The Effect of Rotation on Oscillatory Double-diffusive Convection (Semiconvection)

NASA Astrophysics Data System (ADS)

Moll, Ryan; Garaud, Pascale

2017-01-01

Oscillatory double-diffusive convection (ODDC, more traditionally called semiconvection) is a form of linear double-diffusive instability that occurs in fluids that are unstably stratified in temperature (Schwarzschild unstable), but stably stratified in chemical composition (Ledoux stable). This scenario is thought to be quite common in the interiors of stars and giant planets, and understanding the transport of heat and chemical species by ODDC is of great importance to stellar and planetary evolution models. Fluids unstable to ODDC have a tendency to form convective thermocompositional layers that significantly enhance the fluxes of temperature and chemical composition compared with microscopic diffusion. Although a number of recent studies have focused on studying properties of both layered and nonlayered ODDC, few have addressed how additional physical processes such as global rotation affect its dynamics. In this work, we study first how rotation affects the linear stability properties of rotating ODDC. Using direct numerical simulations, we then analyze the effect of rotation on properties of layered and nonlayered ODDC, and we study how the angle of the rotation axis with respect to the direction of gravity affects layering. We find that rotating systems can be broadly grouped into two categories based on the strength of rotation. The qualitative behavior in the more weakly rotating group is similar to nonrotating ODDC, but strongly rotating systems become dominated by vortices that are invariant in the direction of the rotation vector and strongly influence transport. We find that whenever layers form, rotation always acts to reduce thermal and compositional transport.

General solution for diffusion-controlled dissolution of spherical particles. 1. Theory.

PubMed

Wang, J; Flanagan, D R

1999-07-01

Three classical particle dissolution rate expressions are commonly used to interpret particle dissolution rate phenomena. Our analysis shows that an assumption used in the derivation of the traditional cube-root law may not be accurate under all conditions for diffusion-controlled particle dissolution. Mathematical analysis shows that the three classical particle dissolution rate expressions are approximate solutions to a general diffusion layer model. The cube-root law is most appropriate when particle size is much larger than the diffusion layer thickness, the two-thirds-root expression applies when the particle size is much smaller than the diffusion layer thickness. The square-root expression is intermediate between these two models. A general solution to the diffusion layer model for monodispersed spherical particles dissolution was derived for sink and nonsink conditions. Constant diffusion layer thickness was assumed in the derivation. Simulated dissolution data showed that the ratio between particle size and diffusion layer thickness (a0/h) is an important factor in controlling the shape of particle dissolution profiles. A new semiempirical general particle dissolution equation is also discussed which encompasses the three classical particle dissolution expressions. The success of the general equation in explaining limitations of traditional particle dissolution expressions demonstrates the usefulness of the general diffusion layer model.

Back-Hopping in Spin-Transfer-Torque Devices: Possible Origin and Countermeasures

NASA Astrophysics Data System (ADS)

Abert, Claas; Sepehri-Amin, Hossein; Bruckner, Florian; Vogler, Christoph; Hayashi, Masamitsu; Suess, Dieter

2018-05-01

The effect of undesirable high-frequency free-layer switching in magnetic multilayer systems, referred to as back-hopping, is investigated by means of the spin-diffusion model. A possible origin of the back-hopping effect is found to be the destabilization of the pinned layer, which leads to the perpetual switching of both layers. While the presented mechanism is not claimed to be the only possible reason for back-hopping, we show that it is a fundamental effect that will occur in any spin-transfer-torque device when exceeding a critical current. The influence of different material parameters on the critical switching currents for the free and pinned layer is obtained by micromagnetic simulations. The spin-diffusion model enables an accurate description of the torque on both layers, depending on various material parameters. It is found that the choice of a free-layer material with low polarization β and saturation magnetization Ms and a pinned-layer material with high β and Ms leads to a low free-layer critical current and a high pinned-layer critical current and hence reduces the likelihood of back-hopping. While back-hopping has been observed in various types of devices, there are only a few experiments that exhibit this effect in perpendicularly magnetized systems. However, our simulations suggest that the described effect will also gain importance in perpendicular systems due to the loss of pinned-layer anisotropy for decreasing device sizes.

Convection and reaction in a diffusive boundary layer in a porous medium: nonlinear dynamics.

PubMed

Andres, Jeanne Therese H; Cardoso, Silvana S S

2012-09-01

We study numerically the nonlinear interactions between chemical reaction and convective fingering in a diffusive boundary layer in a porous medium. The reaction enhances stability by consuming a solute that is unstably distributed in a gravitational field. We show that chemical reaction profoundly changes the dynamics of the system, by introducing a steady state, shortening the evolution time, and altering the spatial patterns of velocity and concentration of solute. In the presence of weak reaction, finger growth and merger occur effectively, driving strong convective currents in a thick layer of solute. However, as the reaction becomes stronger, finger growth is inhibited, tip-splitting is enhanced and the layer of solute becomes much thinner. Convection enhances the mass flux of solute consumed by reaction in the boundary layer but has a diminishing effect as reaction strength increases. This nonlinear behavior has striking differences to the density fingering of traveling reaction fronts, for which stronger chemical kinetics result in more effective finger merger owing to an increase in the speed of the front. In a boundary layer, a strong stabilizing effect of reaction can maintain a long-term state of convection in isolated fingers of wavelength comparable to that at onset of instability.

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.

Application of multiphysics models to efficient design of experiments of solute transport across articular cartilage.

PubMed

Pouran, Behdad; Arbabi, Vahid; Weinans, Harrie; Zadpoor, Amir A

2016-11-01

Transport of solutes helps to regulate normal physiology and proper function of cartilage in diarthrodial joints. Multiple studies have shown the effects of characteristic parameters such as concentration of proteoglycans and collagens and the orientation of collagen fibrils on the diffusion process. However, not much quantitative information and accurate models are available to help understand how the characteristics of the fluid surrounding articular cartilage influence the diffusion process. In this study, we used a combination of micro-computed tomography experiments and biphasic-solute finite element models to study the effects of three parameters of the overlying bath on the diffusion of neutral solutes across cartilage zones. Those parameters include bath size, degree of stirring of the bath, and the size and concentration of the stagnant layer that forms at the interface of cartilage and bath. Parametric studies determined the minimum of the finite bath size for which the diffusion behavior reduces to that of an infinite bath. Stirring of the bath proved to remarkably influence neutral solute transport across cartilage zones. The well-stirred condition was achieved only when the ratio of the diffusivity of bath to that of cartilage was greater than ≈1000. While the thickness of the stagnant layer at the cartilage-bath interface did not significantly influence the diffusion behavior, increase in its concentration substantially elevated solute concentration in cartilage. Sufficient stirring attenuated the effects of the stagnant layer. Our findings could be used for efficient design of experimental protocols aimed at understanding the transport of molecules across articular cartilage. Copyright © 2016 Elsevier Ltd. All rights reserved.

Effects of variable thermal diffusivity on the structure of convection

NASA Astrophysics Data System (ADS)

Shcheritsa, O. V.; Getling, A. V.; Mazhorova, O. S.

2018-03-01

The structure of multiscale convection in a thermally stratified plane horizontal fluid layer is investigated by means of numerical simulations. The thermal diffusivity is assumed to produce a thin boundary sublayer convectively much more unstable than the bulk of the layer. The simulated flow is a superposition of cellular structures with three different characteristic scales. In contrast to the largest convection cells, the smaller ones are localised in the upper portion of the layer. The smallest cells are advected by the larger-scale convective flows. The simulated flow pattern qualitatively resembles that observed on the Sun.

Phototransformation rate constants of PAHs associated with soot particles.

PubMed

Kim, Daekyun; Young, Thomas M; Anastasio, Cort

2013-01-15

Photodegradation is a key process governing the residence time and fate of polycyclic aromatic hydrocarbons (PAHs) in particles, both in the atmosphere and after deposition. We have measured photodegradation rate constants of PAHs in bulk deposits of soot particles illuminated with simulated sunlight. The photodegradation rate constants at the surface (k(p)(0)), the effective diffusion coefficients (D(eff)), and the light penetration depths (z(0.5)) for PAHs on soot layers of variable thickness were determined by fitting experimental data with a model of coupled photolysis and diffusion. The overall disappearance rates of irradiated low molecular weight PAHs (with 2-3 rings) on soot particles were influenced by fast photodegradation and fast diffusion kinetics, while those of high molecular weight PAHs (with 4 or more rings) were apparently controlled by either the combination of slow photodegradation and slow diffusion kinetics or by very slow diffusion kinetics alone. The value of z(0.5) is more sensitive to the soot layer thickness than the k(p)(0) value. As the thickness of the soot layer increases, the z(0.5) values increase, but the k(p)(0) values are almost constant. The effective diffusion coefficients calculated from dark experiments are generally higher than those from the model fitting method for illumination experiments. Due to the correlation between k(p)(0) and z(0.5) in thinner layers, D(eff) should be estimated by an independent method for better accuracy. Despite some limitations of the model used in this study, the fitted parameters were useful for describing empirical results of photodegradation of soot-associated PAHs. Copyright © 2012 Elsevier B.V. All rights reserved.

Predicting First Traversal Times for Virions and Nanoparticles in Mucus with Slowed Diffusion

PubMed Central

Erickson, Austen M.; Henry, Bruce I.; Murray, John M.; Klasse, Per Johan; Angstmann, Christopher N.

2015-01-01

Particle-tracking experiments focusing on virions or nanoparticles in mucus have measured mean-square displacements and reported diffusion coefficients that are orders of magnitude smaller than the diffusion coefficients of such particles in water. Accurate description of this subdiffusion is important to properly estimate the likelihood of virions traversing the mucus boundary layer and infecting cells in the epithelium. However, there are several candidate models for diffusion that can fit experimental measurements of mean-square displacements. We show that these models yield very different estimates for the time taken for subdiffusive virions to traverse through a mucus layer. We explain why fits of subdiffusive mean-square displacements to standard diffusion models may be misleading. Relevant to human immunodeficiency virus infection, using computational methods for fractional subdiffusion, we show that subdiffusion in normal acidic mucus provides a more effective barrier against infection than previously thought. By contrast, the neutralization of the mucus by alkaline semen, after sexual intercourse, allows virions to cross the mucus layer and reach the epithelium in a short timeframe. The computed barrier protection from fractional subdiffusion is some orders of magnitude greater than that derived by fitting standard models of diffusion to subdiffusive data. PMID:26153713

Reduction of molecular gas diffusion through gaskets in leaf gas exchange cuvettes by leaf-mediated pores.

PubMed

Boesgaard, Kristine S; Mikkelsen, Teis N; Ro-Poulsen, Helge; Ibrom, Andreas

2013-07-01

There is an ongoing debate on how to correct leaf gas exchange measurements for the unavoidable diffusion leakage that occurs when measurements are done in non-ambient CO2 concentrations. In this study, we present a theory on how the CO2 diffusion gradient over the gasket is affected by leaf-mediated pores (LMP) and how LMP reduce diffusive exchange across the gaskets. Recent discussions have so far neglected the processes in the quasi-laminar boundary layer around the gasket. Counter intuitively, LMP reduce the leakage through gaskets, which can be explained by assuming that the boundary layer at the exterior of the cuvette is enriched with air from the inside of the cuvette. The effect can thus be reduced by reducing the boundary layer thickness. The theory clarifies conflicting results from earlier studies. We developed leaf adaptor frames that eliminate LMP during measurements on delicate plant material such as grass leaves with circular cross section, and the effectiveness is shown with respiration measurements on a harp of Deschampsia flexuosa leaves. We conclude that the best solution for measurements with portable photosynthesis systems is to avoid LMP rather than trying to correct for the effects. © 2013 John Wiley & Sons Ltd.

X-ray and Electrochemical Impedance Spectroscopy Diagnostic Investigations of Liquid Water in Polymer Electrolyte Membrane Fuel Cell Gas Diffusion Layers

NASA Astrophysics Data System (ADS)

Antonacci, Patrick

In this thesis, electrochemical impedance spectroscopy (EIS) and synchrotron x-ray radiography were utilized to characterize the impact of liquid water distributions in polymer electrolyte membrane fuel cell (PEMFC) gas diffusion layers (GDLs) on fuel cell performance. These diagnostic techniques were used to quantify the effects of liquid water visualized on equivalent resistances measured through EIS. The effects of varying the thickness of the microporous layer (MPL) of GDLs were studied using these diagnostic techniques. In a first study on the feasibility of this methodology, two fuel cell cases with a 100 microm-thick and a 150 microm-thick MPL were compared under constant current density operation. In a second study with 10, 30, 50, and 100 microm-thick MPLs, the liquid water in the cathode substrate was demonstrated to affect mass transport resistance, while the liquid water content in the anode (from back diffusion) affected membrane hydration, evidenced through ohmic resistance measurements.

Review of Graphene as a Solid State Diffusion Barrier.

PubMed

Morrow, Wayne K; Pearton, Stephen J; Ren, Fan

2016-01-06

Conventional thin-film diffusion barriers consist of 3D bulk films with high chemical and thermal stability. The purpose of the barrier material is to prevent intermixing or penetration from the two materials that encase it. Adhesion to both top and bottom materials is critical to the success of the barrier. Here, the effectiveness of a single atomic layer of graphene as a solid-state diffusion barrier for common metal schemes used in microelectronics is reviewed, and specific examples are discussed. Initial studies of electrical contacts to graphene show a distinct separation in behavior between metallic groups that strongly or weakly bond to it. The two basic classes of metal reactions with graphene are either physisorbed metals, which bond weakly with graphene, or chemisorbed metals, which bond strongly to graphene. For graphene diffusion barrier testing on Si substrates, an effective barrier can be achieved through the formation of a carbide layer with metals that are chemisorbed. For physisorbed metals, the barrier failure mechanism is loss of adhesion at the metal–graphene interface. A graphene layer encased between two metal layers, in certain cases, can increase the binding energy of both films with graphene, however, certain combinations of metal films are detrimental to the bonding with graphene. While the prospects for graphene's future as a solid-state diffusion barrier are positive, there are open questions, and areas for future research are discussed. A better understanding of the mechanisms which influence graphene's ability to be an effective diffusion barrier in microelectronic applications is required, and additional experiments are needed on a broader range of metals, as well as common metal stack contact structures used in microelectronic applications. The role of defects in the graphene is also a key area, since they will probably influence the barrier properties. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multi-layer light-weight protective coating and method for application

NASA Technical Reports Server (NTRS)

Wiedemann, Karl E. (Inventor); Clark, Ronald K. (Inventor); Taylor, Patrick J. (Inventor)

1992-01-01

A thin, light-weight, multi-layer coating is provided for protecting metals and their alloys from environmental attack at high temperatures. A reaction barrier is applied to the metal substrate and a diffusion barrier is then applied to the reaction barrier. A sealant layer may also be applied to the diffusion barrier if desired. The reaction barrier is either non-reactive or passivating with respect to the metal substrate and the diffusion barrier. The diffusion barrier is either non-reactive or passivating with respect to the reaction barrier and the sealant layer. The sealant layer is immiscible with the diffusion barrier and has a softening point below the expected use temperature of the metal.

Direct measurement of concentration distribution within the boundary layer of an ion-exchange membrane.

PubMed

Choi, Jae-Hwan; Park, Jin-Soo; Moon, Seung-Hyeon

2002-07-15

In this study the concentration distributions within the diffusion boundary layer were obtained by directly measuring the potential drops while the currents (under- and overlimiting) passed through the Neosepta CMX cation-exchange membrane (Tokuyama Corp., Japan). Potential drops according to the distance from the membrane surface on the depleted side were measured using a microelectrode to obtain the concentration profile. From the concentration profiles obtained, it was observed that the diffusion boundary layers existed in the range of 300-350 microm, which reasonably coincide with the theoretical diffusion boundary layer thickness calculated from the limiting current density. Although there were some deviations between the concentrations determined from the Nernst model and those from experiments, it was confirmed that the Nernst model effectively depicts the transport phenomena in the ion-exchange membrane system. In addition it was found that the salt concentration at the membrane surface increased when the currents applied exceeded the limiting current. It is thought that the concentration polarization formed in the diffusion boundary layer at currents near or lower than the limiting current was disturbed by a turbulent convection when the current was greater than the limiting current. As a consequence, the concentration at the membrane surface increased to a sufficient level for generation of the overlimiting current.

Effects of In and Ni Addition on Microstructure of Sn-58Bi Solder Joint

NASA Astrophysics Data System (ADS)

Mokhtari, Omid; Nishikawa, Hiroshi

2014-11-01

In this study, the effect of adding 0.5 wt.% and 1 wt.% In and Ni to Sn-58Bi solder on intermetallic compound (IMC) layers at the interface and the microstructure of the solder alloys were investigated during reflow and thermal aging by scanning electron microscopy and electron probe micro-analysis. The results showed that the addition of minor elements was not effective in suppressing the IMC growth during the reflow; however, the addition of 0.5 wt.% In and Ni was effective in suppressing the IMC layer growth during thermal aging. The thickening kinetics of the total IMC layer was analyzed by plotting the mean thickness versus the aging time on log-log coordinates, and the results showed the transition point from grain boundary diffusion control to a volume diffusion control mechanism. The results also showed that the minor addition of In can significantly suppress the coarsening of the Bi phase.

Display screen and method of manufacture therefor

NASA Technical Reports Server (NTRS)

Dubin, Matthew B. (Inventor); Larson, Brent D. (Inventor)

2001-01-01

A screen assembly that combines an angle re-distributing prescreen with a conventional diffusion screen is disclosed. The prescreen minimizes or eliminates the sensitivity of the screen assembly to projector location. The diffusion screen provides other desirable screen characteristics. The prescreen is preferably formed by a collection of light transmitting and refracting elements, preferably spheres 80, partially embedded in a light blocking layer. Toward the back of the spheres 80 are effective apertures 82 where the light blocking layer 81 is absent or at least thinner than in other regions toward the side of the spheres. The projected image enters spheres 80 through the effective apertures 82, and exits the spheres 80 centered orientationally about the normal to the lens axis. The re-oriented light rays then enter the diffusion screen for viewing.

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.

Growth of Interfacial Intermetallic Compound Layer in Diffusion-Bonded SAC-Cu Solder Joints During Different Types of Thermomechanical Excursion

NASA Astrophysics Data System (ADS)

Kanjilal, Anwesha; Kumar, Praveen

2018-01-01

The effects of mechanical strain on the growth kinetics of interfacial intermetallic compounds (IMCs) sandwiched between Cu substrate and Sn-1.0 wt.%Ag-0.5 wt.%Cu (SAC105) solder have been investigated. Isothermal aging (IA) at 70°C and 125°C, and thermal cycling (TC) as well as thermomechanical cycling (TMC) with shear strain of 12.8% per cycle between -25°C and 125°C were applied to diffusion-bonded solder joints to study the growth behavior of the interfacial IMC layer under various types of thermomechanical excursion (TME). The microstructure of the solder joint tested under each TME was observed at regular intervals. It was observed that the growth rate of the IMC layer was higher in the case of TMC compared with TC or IA. This increased growth rate of the IMC layer in the presence of mechanical strain suggests an additional driving force that enhances the growth kinetics of the IMC. Finite element analysis was performed to gain insight into the effect of TC and TMC on the stress field in the solder joint, especially near the interface between the solder and the substrate. Finally, an analytical model was developed to quantify the effect of strain on the effective diffusivity and express the growth kinetics for all three types of TME using a single expression.

Hybrid diffusion-P3 equation in N-layered turbid media: steady-state domain.

PubMed

Shi, Zhenzhi; Zhao, Huijuan; Xu, Kexin

2011-10-01

This paper discusses light propagation in N-layered turbid media. The hybrid diffusion-P3 equation is solved for an N-layered finite or infinite turbid medium in the steady-state domain for one point source using the extrapolated boundary condition. The Fourier transform formalism is applied to derive the analytical solutions of the fluence rate in Fourier space. Two inverse Fourier transform methods are developed to calculate the fluence rate in real space. In addition, the solutions of the hybrid diffusion-P3 equation are compared to the solutions of the diffusion equation and the Monte Carlo simulation. For the case of small absorption coefficients, the solutions of the N-layered diffusion equation and hybrid diffusion-P3 equation are almost equivalent and are in agreement with the Monte Carlo simulation. For the case of large absorption coefficients, the model of the hybrid diffusion-P3 equation is more precise than that of the diffusion equation. In conclusion, the model of the hybrid diffusion-P3 equation can replace the diffusion equation for modeling light propagation in the N-layered turbid media for a wide range of absorption coefficients.

Thermal conductivity of a graphite bipolar plate (BPP) and its thermal contact resistance with fuel cell gas diffusion layers: Effect of compression, PTFE, micro porous layer (MPL), BPP out-of-flatness and cyclic load

NASA Astrophysics Data System (ADS)

Sadeghifar, Hamidreza; Djilali, Ned; Bahrami, Majid

2015-01-01

This paper reports on measurements of thermal conductivity of a graphite bipolar plate (BPP) as a function of temperature and its thermal contact resistance (TCR) with treated and untreated gas diffusion layers (GDLs). The thermal conductivity of the BPP decreases with temperature and its thermal contact resistance with GDLs, which has been overlooked in the literature, is found to be dominant over a relatively wide range of compression. The effects of PTFE loading, micro porous layer (MPL), compression, and BPP out-of-flatness are also investigated experimentally. It is found that high PTFE loadings, MPL and even small BPP out-of-flatness increase the BPP-GDL thermal contact resistance dramatically. The paper also presents the effect of cyclic load on the total resistance of a GDL-BPP assembly, which sheds light on the behavior of these materials under operating conditions in polymer electrolyte membrane fuel cells.

Gradient boride layers formed by diffusion carburizing and laser boriding

NASA Astrophysics Data System (ADS)

Kulka, M.; Makuch, N.; Dziarski, P.; Mikołajczak, D.; Przestacki, D.

2015-04-01

Laser boriding, instead of diffusion boriding, was proposed to formation of gradient borocarburized layers. The microstructure and properties of these layers were compared to those-obtained after typical diffusion borocarburizing. First method of treatment consists in diffusion carburizing and laser boriding only. In microstructure three zones are present: laser borided zone, hardened carburized zone and carburized layer without heat treatment. However, the violent decrease in the microhardness was observed below the laser borided zone. Additionally, these layers were characterized by a changeable value of mass wear intensity factor thus by a changeable abrasive wear resistance. Although at the beginning of friction the very low values of mass wear intensity factor Imw were obtained, these values increased during the next stages of friction. It can be caused by the fluctuations in the microhardness of the hardened carburized zone (HAZ). The use of through hardening after carburizing and laser boriding eliminated these fluctuations. Two zones characterized the microstructure of this layer: laser borided zone and hardened carburized zone. Mass wear intensity factor obtained a constant value for this layer and was comparable to that-obtained in case of diffusion borocarburizing and through hardening. Therefore, the diffusion boriding could be replaced by the laser boriding, when the high abrasive wear resistance is required. However, the possibilities of application of laser boriding instead of diffusion process were limited. In case of elements, which needed high fatigue strength, the substitution of diffusion boriding by laser boriding was not advisable. The surface cracks formed during laser re-melting were the reason for relatively quickly first fatigue crack. The preheating of the laser treated surface before laser beam action would prevent the surface cracks and cause the improved fatigue strength. Although the cohesion of laser borided carburized layer was sufficient, the diffusion borocarburized layer showed a better cohesion.

Effect of the Platinum Electroplated Layer Thickness on the Coatings' Microstructure

NASA Astrophysics Data System (ADS)

Zagula-Yavorska, Maryana; Gancarczyk, Kamil; Sieniawski, Jan

2017-03-01

CMSX 4 and Inconel 625 superalloys were coated by platinum layers (3 and 7 μm thick) in the electroplating process. The heat treatment of platinum layers (at 1,050 ˚C for 2 h) was performed to increase platinum adherence to the superalloys substrate. The diffusion zone obtained on CMSX 4 superalloy (3 and 7 μm platinum thick before heat treatment) consisted of two phases: γ-Ni(Al, Cr) and (Al0.25Pt0.75)Ni3. The diffusion zone obtained on Inconel 625 superalloy (3 μm platinum thick before heat treatment) consisted of the α-Pt(Ni, Cr, Al) phase. Moreover, γ-Ni(Cr, Al) phase was identified. The X-ray diffraction (XRD) results revealed the presence of platinum in the diffusion zone of the heat-treated coating (7 μm platinum thick) on Inconel 625 superalloy. The surface roughness parameter Ra of heat-treated coatings increased with the increase of platinum layers thickness. This was due to the unequal mass flow of platinum and nickel.

Space-time modeling of the photon diffusion in a three-layered model: application to the study of muscular oxygenation

NASA Astrophysics Data System (ADS)

Mansouri, C.; L'Huillier, J. P.; Piron, V.

2007-07-01

This work presents results on the modeling of the photon diffusion in a three-layered model, (skin, fat and muscle). The Finite Element method was performed in order to calculate the temporal response of the above-mentioned structure. The thickness of the fat layer was varied from 1 to 15 mm to investigate the effects of increasing fat thickness on the muscle layer absorption coefficient measurements for a source-detector spacing of 30 mm. The simulated time-resolved reflectance data, at different wavelengths, were fitted to the diffusion model to yield the scattering and absorption coefficients of muscle. The errors in estimating muscle absorption coefficients μ α depend on the thickness of the fat layer and its optical properties. In addition, it was shown that it is possible to recover with a good precision (~2.6 % of error) the absorption coefficient of muscle and this up to a thickness of the fat layer not exceeding 4mm. Beyond this limit a correction is proposed in order to make measurements coherent. The muscle-corrected absorption coefficient can be then used to calculate hemoglobin oxygenation.

TEM/STEM study of Zircaloy-2 with protective FeAl(Cr) layers under simulated BWR environment and high-temperature steam exposure

NASA Astrophysics Data System (ADS)

Park, Donghee; Mouche, Peter A.; Zhong, Weicheng; Mandapaka, Kiran K.; Was, Gary S.; Heuser, Brent J.

2018-04-01

FeAl(Cr) thin-film depositions on Zircaloy-2 were studied using transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) with respect to oxidation behavior under simulated boiling water reactor (BWR) conditions and high-temperature steam. Columnar grains of FeAl with Cr in solid solution were formed on Zircaloy-2 coupons using magnetron sputtering. NiFe2O4 precipitates on the surface of the FeAl(Cr) coatings were observed after the sample was exposed to the simulated BWR environment. High-temperature steam exposure resulted in grain growth and consumption of the FeAl(Cr) layer, but no delamination at the interface. Outward Al diffusion from the FeAl(Cr) layer occurred during high-temperature steam exposure (700 °C for 3.6 h) to form a 100-nm-thick alumina oxide layer, which was effective in mitigating oxidation of the Zircaloy-2 coupons. Zr intermetallic precipitates formed near the FeAl(Cr) layer due to the inward diffusion of Fe and Al. The counterflow of vacancies in response to the Al and Fe diffusion led to porosity within the FeAl(Cr) layer.

Plasma Spray and Pack Cementation Process Optimization and Oxidation Behaviour of Novel Multilayered Coatings

NASA Astrophysics Data System (ADS)

Gao, Feng

The hot section components in gas turbines are subjected to a harsh environment with the temperature being increased continuously. The higher temperature has directly resulted in severe oxidation of these components. Monolithic coatings such as MCrAIY and aluminide have been traditionally used to protect the components from oxidation; however, increased operating temperature quickly deteriorates the coatings due to accelerated diffusion of aluminum in the coatings. To improve the oxidation resistance a group of multilayered coatings are developed in this study. The multilayered coatings consist of a Cr-Si co-deposited layer as the diffusion barrier, a plasma sprayed NiCrA1Y coating as the middle layer and an aluminized top layer. The Cr-Si and aluminized layers are fabricated using pack cementation processes and the NiCrA1Y coatings are produced using the Mettech Axial III(TM) System. All of the coating processes are optimized using the methodology of Design of Experiments (DOE) and the results are analyzed using statistical method. The optimal processes are adopted to fabricate the multilayered coatings for oxidation tests. The coatings are exposed in air at 1050°C and 1150°C for 1000 hr. The results indicate that a Cr layer and a silicon-rich barrier layer have formed on the interface between the Cr-Si coating and the NiCrA1Y coating. This barrier layer not only prevents aluminum and chromium from diffusing into the substrate, but also impedes the diffusion of other elements from the substrate into the coating. The results also reveal that, for optimal oxidation resistance at 1050°C, the top layer in a multilayered coating should have at least Al/Ni ratio of one; whereas the multilayered coating with the All Ni ratio of two in the top layer exhibits the best oxidation resistance at 1150°C. The DOE methodology provides an excellent means for process optimization and the selection of oxidation test matrix, and also offers a more thorough understanding of the effects of process parameters on the coating microstructure, and the effects of layers and their interactions on the oxidation behavior of the multilayered coatings.

Diffusion of cations in chromia layers grown on iron-base alloys

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

Lobnig, R.E.; Hennesen, K.; Grabke, H.J.

Diffusion of the cations Cr, Fe, Mn, and Ni in Cr{sub 2}O{sub 3} has been investigated at 1,173 K. The diffusion measurements were performed on chromia layers grown on the model alloys Fe-20Cr and Fe-20Cr-12Ni in order to consider effects of small amounts of dissolved alien cations in Cr{sub 2}O{sub 3}. The samples were diffusion annealed in H{sub 2}-H{sub 2}O at an oxygen partial pressure close to the Cr{sub 2}O{sub 3}/Cr equilibrium. For all tracers the lattice-diffusion coefficients are 3-5 orders of magnitude smaller than the grain-boundary diffusion coefficients. The lattice diffusivity of Mn is about two orders of magnitudemore » greater than the other lattice-diffusion coefficients, especially in Cr{sub 2}O{sub 3} grown on Fe-20Cr-12Ni. The values of the diffusion coefficients for Cr, Fe, and Ni are in the same range. Diffusion of the tracers in Cr{sub 2}O{sub 3} grown on different alloys did not show significant differences with the exception of Mn.« less

Hardfacing of duplex stainless steel using melting and diffusion processes

NASA Astrophysics Data System (ADS)

Lailatul, H.; Maleque, M. A.

2017-03-01

Duplex stainless steel (DSS) is a material with high potential successes in many new applications such as rail car manufacturing, automotive and chemical industries. Although DSS is widely used in various industries, this material has faced wear and hardness problems which obstruct a wider capability of this material and causes problems in current application. Therefore, development of surface modification has been introduced to produce hard protective layer or coating on DSS. The main aim of this work is to brief review on hard surface layer formation on DSS using melting and diffusion processes. Melting technique using tungsten inert gas (TIG) torch and diffusion technique using gas nitriding are the effective process to meet this requirement. The processing route plays a significant role in developing the hard surface layer for any application with effective cost and environmental factors. The good understanding and careful selection of processing route to form products are very important factors to decide the suitable techniques for surface engineering treatment. In this paper, an attempt is also made to consolidate the important research works done on melting and diffusion techniques of DSS in the past. The advantages and disadvantages between melting and diffusion technique are presented for better understanding on the feasibility of hard surface formation on DSS. Finally, it can be concluded that this work will open an avenue for further research on the application of suitable process for hard surface formation on DSS.

Extravascular transport of drugs in tumor tissue: effect of lipophilicity on diffusion of tirapazamine analogues in multicellular layer cultures.

PubMed

Pruijn, Frederik B; Sturman, Joanna R; Liyanage, H D Sarath; Hicks, Kevin O; Hay, Michael P; Wilson, William R

2005-02-24

The extravascular diffusion of antitumor agents is a key determinant of their therapeutic activity, but the relationships between physicochemical properties of drugs and their extravascular transport are poorly understood. It is well-known that drug lipophilicity plays an important role in transport across biological membranes, but the net effect of lipophilicity on transport through multiple layers of tumor cells is less clear. This study examines the influence of lipophilicity (measured as the octanol-water partition coefficient P) on the extravascular transport properties of the hypoxic cytotoxin tirapazamine (TPZ, 1) and a series of 13 neutral analogues, using multicellular layers (MCLs) of HT29 human colon carcinoma cells as an in vitro model for the extravascular compartment of tumors. Flux of drugs across MCLs was determined using diffusion chambers, with the concentration-time profile on both sides of the MCL measured by HPLC. Diffusion coefficients in the MCLs (D(MCL)) were inversely proportional to M(r)(0.5) (M(r), relative molecular weight), although this was a minor contributor to differences between compounds over the narrow M(r) range investigated. Differences in lipophilicity had a larger effect, with a sigmoidal dependence of D(MCL) on log P. Correcting for M(r) differences, lipophilic compounds (log P > 1.5) had ca. 15-fold higher D(MCL) than hydrophilic compounds (log P < -1). Using a pharmacokinetic/pharmacodynamic (PK/PD) model in which diffusion in the extravascular compartment of tumors is considered explicitly, we demonstrated that hypoxic cell kill is very sensitive to changes in extravascular diffusion coefficient of TPZ analogues within this range. This study shows that simple monosubstitution of TPZ can alter log P enough to markedly improve extravascular transport and activity against target cells, especially if rates of metabolic activation are also optimized.

Preparation and Thermal Characterization of Annealed Gold Coated Porous Silicon.

PubMed

Behzad, Kasra; Mat Yunus, Wan Mahmood; Talib, Zainal Abidin; Zakaria, Azmi; Bahrami, Afarin

2012-01-16

Porous silicon (PSi) layers were formed on a p-type Si wafer. Six samples were anodised electrically with a 30 mA/cm² fixed current density for different etching times. The samples were coated with a 50-60 nm gold layer and annealed at different temperatures under Ar flow. The morphology of the layers, before and after annealing, formed by this method was investigated by scanning electron microscopy (SEM). Photoacoustic spectroscopy (PAS) measurements were carried out to measure the thermal diffusivity (TD) of the PSi and Au/PSi samples. For the Au/PSi samples, the thermal diffusivity was measured before and after annealing to study the effect of annealing. Also to study the aging effect, a comparison was made between freshly annealed samples and samples 30 days after annealing.

Chromium oxide as a metal diffusion barrier layer: An x-ray absorption fine structure spectroscopy study

NASA Astrophysics Data System (ADS)

Ahamad Mohiddon, Md.; Lakshun Naidu, K.; Ghanashyam Krishna, M.; Dalba, G.; Ahmed, S. I.; Rocca, F.

2014-01-01

The interaction at the interface between chromium and amorphous Silicon (a-Si) films in the presence of a sandwich layer of chromium oxide is investigated using X-ray absorption fine structure (XAFS) spectroscopy. The oxidized interface was created, in situ, prior to the deposition of a 400 nm tick a-Si layer over a 50 nm tick Cr layer. The entire stack of substrate/metallic Cr/Cr2O3/a-Si was then annealed at temperatures from 300 up to 700 °C. Analysis of the near edge and extended regions of each XAFS spectrum shows that only a small fraction of Cr is able to diffuse through the oxide layer up to 500 °C, while the remaining fraction is buried under the oxide layer in the form of metallic Cr. At higher temperatures, diffusion through the oxide layer is enhanced and the diffused metallic Cr reacts with a-Si to form CrSi2. At 700 °C, the film contains Cr2O3 and CrSi2 without evidence of unreacted metallic Cr. The activation energy and diffusion coefficient of Cr are quantitatively determined in the two temperature regions, one where the oxide acts as diffusion barrier and another where it is transparent to Cr diffusion. It is thus demonstrated that chromium oxide can be used as a diffusion barrier to prevent metal diffusion into a-Si.

Estimating diffusivity from the mixed layer heat and salt balances in the North Pacific

NASA Astrophysics Data System (ADS)

Cronin, M. F.; Pelland, N.; Emerson, S. R.; Crawford, W. R.

2015-12-01

Data from two National Oceanographic and Atmospheric Administration (NOAA) surface moorings in the North Pacific, in combination with data from satellite, Argo floats and glider (when available), are used to evaluate the residual diffusive flux of heat across the base of the mixed layer from the surface mixed layer heat budget. The diffusion coefficient (i.e., diffusivity) is then computed by dividing the diffusive flux by the temperature gradient in the 20-m transition layer just below the base of the mixed layer. At Station Papa in the NE Pacific subpolar gyre, this diffusivity is 1×10-4 m2/s during summer, increasing to ~3×10-4 m2/s during fall. During late winter and early spring, diffusivity has large errors. At other times, diffusivity computed from the mixed layer salt budget at Papa correlate with those from the heat budget, giving confidence that the results are robust for all seasons except late winter-early spring and can be used for other tracers. In comparison, at the Kuroshio Extension Observatory (KEO) in the NW Pacific subtropical recirculation gyre, somewhat larger diffusivity are found based upon the mixed layer heat budget: ~ 3×10-4 m2/s during the warm season and more than an order of magnitude larger during the winter, although again, wintertime errors are large. These larger values at KEO appear to be due to the increased turbulence associated with the summertime typhoons, and weaker wintertime stratification.

Estimating diffusivity from the mixed layer heat and salt balances in the North Pacific

NASA Astrophysics Data System (ADS)

Cronin, Meghan F.; Pelland, Noel A.; Emerson, Steven R.; Crawford, William R.

2015-11-01

Data from two National Oceanographic and Atmospheric Administration (NOAA) surface moorings in the North Pacific, in combination with data from satellite, Argo floats and glider (when available), are used to evaluate the residual diffusive flux of heat across the base of the mixed layer from the surface mixed layer heat budget. The diffusion coefficient (i.e., diffusivity) is then computed by dividing the diffusive flux by the temperature gradient in the 20 m transition layer just below the base of the mixed layer. At Station Papa in the NE Pacific subpolar gyre, this diffusivity is 1 × 10-4 m2/s during summer, increasing to ˜3 × 10-4 m2/s during fall. During late winter and early spring, diffusivity has large errors. At other times, diffusivity computed from the mixed layer salt budget at Papa correlate with those from the heat budget, giving confidence that the results are robust for all seasons except late winter-early spring and can be used for other tracers. In comparison, at the Kuroshio Extension Observatory (KEO) in the NW Pacific subtropical recirculation gyre, somewhat larger diffusivities are found based upon the mixed layer heat budget: ˜ 3 × 10-4 m2/s during the warm season and more than an order of magnitude larger during the winter, although again, wintertime errors are large. These larger values at KEO appear to be due to the increased turbulence associated with the summertime typhoons, and weaker wintertime stratification.

A fast calculating two-stream-like multiple scattering algorithm that captures azimuthal and elevation variations

NASA Astrophysics Data System (ADS)

Fiorino, Steven T.; Elmore, Brannon; Schmidt, Jaclyn; Matchefts, Elizabeth; Burley, Jarred L.

2016-05-01

Properly accounting for multiple scattering effects can have important implications for remote sensing and possibly directed energy applications. For example, increasing path radiance can affect signal noise. This study describes the implementation of a fast-calculating two-stream-like multiple scattering algorithm that captures azimuthal and elevation variations into the Laser Environmental Effects Definition and Reference (LEEDR) atmospheric characterization and radiative transfer code. The multiple scattering algorithm fully solves for molecular, aerosol, cloud, and precipitation single-scatter layer effects with a Mie algorithm at every calculation point/layer rather than an interpolated value from a pre-calculated look-up-table. This top-down cumulative diffusivity method first considers the incident solar radiance contribution to a given layer accounting for solid angle and elevation, and it then measures the contribution of diffused energy from previous layers based on the transmission of the current level to produce a cumulative radiance that is reflected from a surface and measured at the aperture at the observer. Then a unique set of asymmetry and backscattering phase function parameter calculations are made which account for the radiance loss due to the molecular and aerosol constituent reflectivity within a level and allows for a more accurate characterization of diffuse layers that contribute to multiple scattered radiances in inhomogeneous atmospheres. The code logic is valid for spectral bands between 200 nm and radio wavelengths, and the accuracy is demonstrated by comparing the results from LEEDR to observed sky radiance data.

Solutions for Reacting and Nonreacting Viscous Shock Layers with Multicomponent Diffusion and Mass Injection. Ph.D. Thesis - Virginia Polytechnic Inst. and State Univ.

NASA Technical Reports Server (NTRS)

Moss, J. N.

1971-01-01

Numerical solutions are presented for the viscous shocklayer equations where the chemistry is treated as being either frozen, equilibrium, or nonequilibrium. Also the effects of the diffusion model, surface catalyticity, and mass injection on surface transport and flow parameters are considered. The equilibrium calculations for air species using multicomponent: diffusion provide solutions previously unavailable. The viscous shock-layer equations are solved by using an implicit finite-difference scheme. The flow is treated as a mixture of inert and thermally perfect species. Also the flow is assumed to be in vibrational equilibrium. All calculations are for a 45 deg hyperboloid. The flight conditions are those for various altitudes and velocities in the earth's atmosphere. Data are presented showing the effects of the chemical models; diffusion models; surface catalyticity; and mass injection of air, water, and ablation products on heat transfer; skin friction; shock stand-off distance; wall pressure distribution; and tangential velocity, temperature, and species profiles.

Diffusion length measurements using the scanning electron microscope. [in semiconductor devices

NASA Technical Reports Server (NTRS)

Weizer, V. G.

1975-01-01

A measurement technique employing the scanning electron microscope is described in which values of the true bulk diffusion length are obtained. It is shown that surface recombination effects can be eliminated through the application of highly doped surface field layers. The influence of high injection level effects and low-high junction current generation on the resulting measurement was investigated. Close agreement is found between the diffusion lengths measured by this method and those obtained using a penetrating radiation technique.

Quantification of Sheet Resistance in Boron-Diffused Silicon Using Micro-Photoluminescence Spectroscopy at Room Temperature

DOE PAGES

Nguyen, Hieu T.; Johnston, Steve; Paduthol, Appu; ...

2017-09-01

A micro-photoluminescence-based technique is presented, to quantify and map sheet resistances of boron-diffused layers in silicon solar cell precursors with micron-scale spatial resolution at room temperature. The technique utilizes bandgap narrowing effects in the heavily-doped layers, yielding a broader photoluminescence spectrum at the long-wavelength side compared to the spectrum emitted from lightly doped silicon. By choosing an appropriate spectral range as a metric to assess the doping density, the impacts of photon reabsorption on the analysis can be avoided; thus, an accurate characterization of the sheet resistance can be made. This metric is demonstrated to be better representative of themore » sheet resistance than the surface doping density or the total dopant concentration of the diffused layer. The technique is applied to quantify sheet resistances of 12-um-wide diffused fingers in interdigitated back-contact solar cell precursors and large diffused areas. The results are confirmed by both 4-point probe and time-of-flight secondary-ion mass spectrometry measurements. Lastly, the practical limitations associated with extending the proposed technique into an imaging mode are presented and explained.« less

Quantification of Sheet Resistance in Boron-Diffused Silicon Using Micro-Photoluminescence Spectroscopy at Room Temperature

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

Nguyen, Hieu T.; Johnston, Steve; Paduthol, Appu

A micro-photoluminescence-based technique is presented, to quantify and map sheet resistances of boron-diffused layers in silicon solar cell precursors with micron-scale spatial resolution at room temperature. The technique utilizes bandgap narrowing effects in the heavily-doped layers, yielding a broader photoluminescence spectrum at the long-wavelength side compared to the spectrum emitted from lightly doped silicon. By choosing an appropriate spectral range as a metric to assess the doping density, the impacts of photon reabsorption on the analysis can be avoided; thus, an accurate characterization of the sheet resistance can be made. This metric is demonstrated to be better representative of themore » sheet resistance than the surface doping density or the total dopant concentration of the diffused layer. The technique is applied to quantify sheet resistances of 12-um-wide diffused fingers in interdigitated back-contact solar cell precursors and large diffused areas. The results are confirmed by both 4-point probe and time-of-flight secondary-ion mass spectrometry measurements. Lastly, the practical limitations associated with extending the proposed technique into an imaging mode are presented and explained.« less

A study on atomic diffusion behaviours in an Al-Mg compound casting process

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

Liu, Yongning; Chen, Yiqing; Yang, Chunhui, E-mail: r.yang@uws.edu.au

Al and Mg alloys are main lightweight alloys of research interest and they both have superb material properties, i.e., low density and high specific strength, etc. Being different from Al alloys, the corrosion of Mg alloys is much more difficult to control. Therefore to combine merits of these two lightweight alloys as a composite-like structure is an ideal solution through using Al alloys as a protective layer for Mg alloys. Compound casting is a realistic technique to manufacture such a bi-metal structure. In this study, a compound casting technique is employed to fabricate bi-layered samples using Al and Mg andmore » then the samples are analysed using electron probe micro-analyzer (EPMA) to determine diffusion behaviours between Al and Mg. The diffusion mechanism and behaviours between Al and Mg are studied numerically at atomic scale using molecular dynamics (MD) and parametric studies are conducted to find out influences of ambient temperature and pressure on the diffusion behaviours between Al and Mg. The results obtained clearly show the effectiveness of the compound casting process to increase the diffusion between Al and Mg and thus create the Al-base protection layer for Mg.« less

Characterization and diffusion model for the titanium boride layers formed on the Ti6Al4V alloy by plasma paste boriding

NASA Astrophysics Data System (ADS)

Keddam, Mourad; Taktak, Sukru

2017-03-01

The present study is focused on the estimation of activation energy of boron in the plasma paste borided Ti6Al4V alloy, which is extensively used in technological applications, using an analytical diffusion model. Titanium boride layers were successfully produced by plasma paste boriding method on the Ti6Al4V alloy in the temperature range of 973-1073 K for a treatment time ranging from 3 to 7 h. The presence of both TiB2 top-layer and TiB whiskers sub-layer was confirmed by the XRD analysis and SEM observations. The surface hardness of the borided alloy was evaluated using Micro-Knoop indenter. The formation rates of the TiB2 and TiB layers were found to have a parabolic character at all applied process temperatures. A diffusion model was suggested to estimate the boron diffusivities in TiB2 and TiB layers under certain assumptions, by considering the effect of boride incubation times. Basing on own experimental data on boriding kinetics, the activation energies of boron in TiB2 and TiB phases were estimated as 136.24 ± 0.5 and 63.76 ± 0.5 kJ mol-1, respectively. Finally, the obtained values of boron activation energies for Ti6Al4V alloy were compared with the data available in the literature.

How thin barrier metal can be used to prevent Co diffusion in the modern integrated circuits?

NASA Astrophysics Data System (ADS)

Dixit, Hemant; Konar, Aniruddha; Pandey, Rajan; Ethirajan, Tamilmani

2017-11-01

In modern integrated circuits (ICs), billions of transistors are connected to each other via thin metal layers (e.g. copper, cobalt, etc) known as interconnects. At elevated process temperatures, inter-diffusion of atomic species can occur among these metal layers, causing sub-optimal performance of interconnects, which may lead to the failure of an IC. Thus, typically a thin barrier metal layer is used to prevent the inter-diffusion of atomic species within interconnects. For ICs with sub-10 nm transistors (10 nm technology node), the design rule (thickness scaling) demands the thinnest possible barrier layer. Therefore, here we investigate the critical thickness of a titanium-nitride (TiN) barrier that can prevent the cobalt diffusion using multi-scale modeling and simulations. First, we compute the Co diffusion barrier in crystalline and amorphous TiN with the nudged elastic band method within first-principles density functional theory simulations. Later, using the calculated activation energy barriers, we quantify the Co diffusion length in the TiN metal layer with the help of kinetic Monte Carlo simulations. Such a multi-scale modelling approach yields an exact critical thickness of the metal layer sufficient to prevent the Co diffusion in IC interconnects. We obtain a diffusion length of a maximum of 2 nm for a typical process of thermal annealing at 400 °C for 30 min. Our study thus provides useful physical insights for the Co diffusion in the TiN layer and further quantifies the critical thickness (~2 nm) to which the metal barrier layer can be thinned down for sub-10 nm ICs.

High-Performance Ink-Synthesized Cu-Gate Thin-Film Transistor with Diffusion Barrier Formation

NASA Astrophysics Data System (ADS)

Woo, Whang Je; Nam, Taewook; Oh, Il-Kwon; Maeng, Wanjoo; Kim, Hyungjun

2018-02-01

The improved electrical properties of Cu-gate thin-film transistors (TFTs) using an ink-synthesizing process were studied; this technology enables a low-cost and large area process for the display industry. We investigated the film properties and the effects of the ink-synthesized Cu layer in detail with respect to device characteristics. The mobility and reliability of the devices were significantly improved by applying a diffusion barrier at the interface between the Cu gate and the gate insulator. By using a TaN diffusion barrier layer, considerably improved and stabilized ink-Cu gated TFTs could be realized, comparable to sputtered-Cu gated TFTs under positive bias temperature stress measurements.

The Onset of Double Diffusive Convection in a Viscoelastic Fluid-Saturated Porous Layer with Non-Equilibrium Model

PubMed Central

Yang, Zhixin; Wang, Shaowei; Zhao, Moli; Li, Shucai; Zhang, Qiangyong

2013-01-01

The onset of double diffusive convection in a viscoelastic fluid-saturated porous layer is studied when the fluid and solid phase are not in local thermal equilibrium. The modified Darcy model is used for the momentum equation and a two-field model is used for energy equation each representing the fluid and solid phases separately. The effect of thermal non-equilibrium on the onset of double diffusive convection is discussed. The critical Rayleigh number and the corresponding wave number for the exchange of stability and over-stability are obtained, and the onset criterion for stationary and oscillatory convection is derived analytically and discussed numerically. PMID:24312193

The onset of double diffusive convection in a viscoelastic fluid-saturated porous layer with non-equilibrium model.

PubMed

Yang, Zhixin; Wang, Shaowei; Zhao, Moli; Li, Shucai; Zhang, Qiangyong

2013-01-01

The onset of double diffusive convection in a viscoelastic fluid-saturated porous layer is studied when the fluid and solid phase are not in local thermal equilibrium. The modified Darcy model is used for the momentum equation and a two-field model is used for energy equation each representing the fluid and solid phases separately. The effect of thermal non-equilibrium on the onset of double diffusive convection is discussed. The critical Rayleigh number and the corresponding wave number for the exchange of stability and over-stability are obtained, and the onset criterion for stationary and oscillatory convection is derived analytically and discussed numerically.

High-Performance Ink-Synthesized Cu-Gate Thin-Film Transistor with Diffusion Barrier Formation

NASA Astrophysics Data System (ADS)

Woo, Whang Je; Nam, Taewook; Oh, Il-Kwon; Maeng, Wanjoo; Kim, Hyungjun

2018-05-01

The improved electrical properties of Cu-gate thin-film transistors (TFTs) using an ink-synthesizing process were studied; this technology enables a low-cost and large area process for the display industry. We investigated the film properties and the effects of the ink-synthesized Cu layer in detail with respect to device characteristics. The mobility and reliability of the devices were significantly improved by applying a diffusion barrier at the interface between the Cu gate and the gate insulator. By using a TaN diffusion barrier layer, considerably improved and stabilized ink-Cu gated TFTs could be realized, comparable to sputtered-Cu gated TFTs under positive bias temperature stress measurements.

Insights into Interactions of Water Ice with Regolith under Simulated Martian Conditions.

NASA Astrophysics Data System (ADS)

Chittenden, Julie; Chevrier, V.; Sears, D. W.; Roe, L. A.; Bryson, K.; Billingsly, L.; Hanley, J.

2006-09-01

In order to understand the diffusion process of water vapor through regolith, we have investigated the sublimation process of subsurface ice under varying depths of JSC Mars-1 soil simulant under martian conditions. Measurements were made at 0oC and 5.25 Torr in a CO2 atmosphere. We corrected for variations in temperature of the ice and the difference in gravity of Mars in relation to the Earth. Our results show that for depths up to 40 mm the process is mainly diffusion controlled and that for thicker regolith layers, desorption becomes the main process. After correction for the effect of desorption, we observed a decrease in sublimation rate from 0.625 ± 0.073 mm.h-1 at 5 mm of soil to 0.187 ± 0.093 mm.h-1 for 200 mm of soil. To characterize the diffusion process, we use the Farmer model (1976), which hypothesizes that the sublimation rate is equal to the diffusion coefficient divided by the soil depth. The derived diffusion coefficient from this data is 2.52 ± 0.55 mm2.h-1, or 7.0 ± 1.5 x 10-10 m2.s-1. Knowing the diffusion coefficient in the regolith, we can calculate the survival time, κ, of a layer of ice under a regolith layer which is given by τ = liceL/D, where lice is the thickness of the ice layer. Using this equation, we find that a 10 cm-thick layer of ice buried under 1 m of regolith would last for more than 4 years at 0oC. Therefore, our study indicates that the transport of water through a regolith layer is a complex multi-faceted process that is readily quantified by laboratory investigations. This is especially important in interpreting previous theoretical models and in understanding in situ observations to be performed by martian landers such as Phoenix. The W.M. Keck Foundation funded this research.

TiO2 as diffusion barrier at Co/Alq3 interface studied by x-ray standing wave technique

NASA Astrophysics Data System (ADS)

Phatak Londhe, Vaishali; Gupta, A.; Ponpandian, N.; Kumar, D.; Reddy, V. R.

2018-06-01

Nano-scale diffusion at the interfaces in organic spin valve thin films plays a vital role in controlling the performance of magneto-electronic devices. In the present work, it is shown that a thin layer of titanium dioxide at the interface of Co/Alq3 can act as a good diffusion barrier. The buried interfaces of Co/Alq3/Co organic spin valve thin film has been studied using x-ray standing waves technique. A planar waveguide is formed with Alq3 layer forming the cavity and Co layers as the walls of the waveguide. Precise information about diffusion of Co into Alq3 is obtained through excitation of the waveguide modes. It is found that the top Co layer diffuses deep into the Alq3 resulting in incorporation of 3.1% Co in the Alq3 layer. Insertion of a 1.7 nm thick barrier layer of TiO2 at Co/Alq3 interface results in a drastic reduction in the diffusion of Co into Alq3 to a value of only 0.4%. This suggests a better performance of organic spin valve with diffusion barrier of TiO2.

Double-Diffusive Convection at Low Prandtl Number

NASA Astrophysics Data System (ADS)

Garaud, Pascale

2018-01-01

This work reviews present knowledge of double-diffusive convection at low Prandtl number obtained using direct numerical simulations, in both the fingering regime and the oscillatory regime. Particular emphasis is given to modeling the induced turbulent mixing and its impact in various astrophysical applications. The nonlinear saturation of fingering convection at low Prandtl number usually drives small-scale turbulent motions whose transport properties can be predicted reasonably accurately using a simple semi-analytical model. In some instances, large-scale internal gravity waves can be excited by a collective instability and eventually cause layering. The nonlinear saturation of oscillatory double-diffusive convection exhibits much more complex behavior. Weakly stratified systems always spontaneously transition into layered convection associated with very efficient mixing. More strongly stratified systems remain dominated by weak wave turbulence unless they are initialized into a layered state. The effects of rotation, shear, lateral gradients, and magnetic fields are briefly discussed.

Nanofluid flow and heat transfer in boundary layers: the influence of the concentration diffusion layer on heat transfer enhancement

NASA Astrophysics Data System (ADS)

Liu, Joseph T. C.; Barbosa Decastilho, Cintia Juliana; Fuller, Mark E.; Sane, Aakash

2017-11-01

The present work uses a perturbation procedure to deduce the small nanoparticle volume concentration conservation equations for momentum, heat and concentration diffusion. Thermal physical variables are obtained from conventional means (mixture and field theories) for alumina-water and gold-water nanofluids. In the case of gold-water nano fluid molecular dynamics results are used to estimate such properties, including transport coefficients. The very thin diffusion layer at large Schmidt numbers is found to have a great impact on the velocity and temperature profiles owing to their dependency on transport properties. This has a profound effect on the conduction surface heat transfer rate enhancement and skin friction suppression for the case of nano fluid concentration withdrawal at the wall, while the diffusional surface heat transfer rate is negligible due to large Schmidt numbers. Possible experimental directed at this interesting phenomenon is suggested.

Characteristics of water and ion exchange of Elodea nuttallii cells at high concentrations of lanthanides.

PubMed

Vorob'ev, Vladimir N; Mirziev, Samat I; Alexandrov, Evgeniy A; Sibgatullin, Timur A

2016-12-01

Changes of diffusive permeability of membranes of Elodea nuttallii cells following a short-term (60 min) treatment with high concentrations of lanthanides were recorded by the 1 H NMR-diffusometry and conductometry methods. The 1-h infiltration of segments of Elodea nuttallii internodes in 10 mM solutions of nitrates of La, Nd and Lu resulted in the increased leakage of electrolytes from cells, but has no effect on a water diffusive permeability of membranes. In samples subjected to a 30 min pretreatment with a water channel inhibitor HgCl 2 the water diffusive permeability of membranes (P d ) drops down under the influence of lanthanides, as well as an outcome of electrolytes. To explain the observed effects the change of spontaneous curvature of membrane lipid layer has been taken into consideration. The interaction of lanthanides with lipids of plasmalemma leads to the negative spontaneous curvature of lipid layer at which membrane channels are unclosed. Blocking of the ionic and water channels by mercury ions compensate the effect of change of spontaneous curvature of lipid layer. Copyright © 2016 Elsevier Ltd. All rights reserved.

Methane Hydrate Formation in Thick Sand Reservoirs: Long-range Gas Transport or Short-range Methane Diffusion?

NASA Astrophysics Data System (ADS)

You, K.; Flemings, P. B.

2016-12-01

We developed two 2-D numerical models to simulate hydrate formation by long range methane gas transport and short-range methane diffusion. We interpret that methane hydrates in thick sands are most likely formed by long range gas transport where methane gas is transported upward into the hydrate stability zone (HSZ) under buoyancy and locally forms hydrate to its stability limit. In short-range methane diffusion, methane is generated locally by biodegradation of organic matter in mud and diffused into bounding sands where it forms hydrate. We could not simulate enough methane transport by diffusion to account for its observed concentration in thick sands. In our models, we include the capillary effect on dissolved methane solubility and on the hydrate phase boundary, sedimentation and different compaction in sand and mud, fracture generation as well as the fully coupled multiphase flow and multicomponent transport. We apply our models to a 12 meter-thick hydrate-bearing sand layer at Walker Ridge 313, Northern Gulf of Mexico. With the long-range gas transport, hydrate saturation is greater than 90% and salinity is increased from seawater to about 8 wt.% through the entire sand. With short-range diffusion, hydrate saturation is more than 90% at the sand base and is less than 10% in the overlying section; salinity is close to seawater when sand is deposited to 800 meter below seafloor by short-range methane diffusion. With short-range diffusion, the amount of hydrate formed is much less than that interpreted from the well log data. Two transient gas layers separated by a hydrate layer are formed from short-range diffusion caused by capillary effect. This could be interpreted as a double bottom simulating reflector. This study provides further insights into different hydrate formation mechanisms, and could serve as a base to confirm the hydrate formation mechanism in fields.

Effect of concentration boundary layers on passive solute flows in a system of two polymeric membranes positioned in vertical planes.

PubMed

Slezak, Andrzej; Jasik-Slezak, Jolanta; Dworecki, Kazimierz

2003-01-01

The results of studies of influence of concentration boundary layers on passive diffusive transport in a double-membrane osmo-diffusive cell, containing a series of two (Ml and M(r)) vertically positioned, flat, microporous and symmetric polymer membranes (Nephrophane and Cellulose IMP-1) are presented in this paper. The membranes separated three compartments (l, m, r) containing binary, heterogeneous and non-ionic solutions (aqueous solutions of glucose or ethanol) or ternary non-electrolyte solutions (glucose solutions in 0.75 mol.l-1 solution of ethanol or ethanol solutions in 0.1 mol.l-1 aqueous solution of glucose). Solution concentrations fulfilled the condition C(k)l > C(k)m > C(k)r. The intermembrane compartment (m) was an infinitesimal solution layer. The volume of the m compartment and the volumes of the external (l and r) compartments fulfilled the condition Vl = Vr approximately 170 Vm. The tests were performed for configurations A and B of a double-membrane osmo-diffusive cell. In configuration A, the solution was located behind the M(r) membrane, and water was placed behind the Ml membrane, while in configuration B this sequence was reversed. The results obtained during experiment were interpreted in the categories of convective instability, which increased the value of diffusive permeability coefficient of the system: concentration boundary layer/membrane/concentration boundary layer.

Influence of the bound polymer layer on nanoparticle diffusion in polymer melts

DOE PAGES

Griffin, Philip J.; Bocharova, Vera; Middleton, L. Robert; ...

2016-09-23

We measure the center-of-mass diffusion of silica nanoparticles (NPs) in entangled poly(2-vinylpyridine) (P2VP) melts using Rutherford backscattering spectrometry. While these NPs are well within the size regime where enhanced, nonhydrodynamic NP transport is theoretically predicted and has been observed experimentally (2R NP/d tube ≈ 3, where 2R NP is the NP diameter and d tube is the tube diameter), we find that the diffusion of these NPs in P2VP is in fact well-described by the hydrodynamic Stokes–Einstein relation. The effective NP diameter 2R eff is significantly larger than 2R NP and strongly dependent on P2VP molecular weight, consistent with themore » presence of a bound polymer layer on the NP surface with thickness h eff ≈ 1.1R g. Our results show that the bound polymer layer significantly augments the NP hydrodynamic size in polymer melts with attractive polymer–NP interactions and effectively transitions the mechanism of NP diffusion from the nonhydrodynamic to hydrodynamic regime, particularly at high molecular weights where NP transport is expected to be notably enhanced. Lastly, these results provide the first experimental demonstration that hydrodynamic NP transport in polymer melts requires particles of size ≳5d tube, consistent with recent theoretical predictions.« less

Study of effective transport properties of fresh and aged gas diffusion layers

NASA Astrophysics Data System (ADS)

Bosomoiu, Magdalena; Tsotridis, Georgios; Bednarek, Tomasz

2015-07-01

Gas diffusion layers (GDLs) play an important role in proton exchange membrane fuel cells (PEMFCs) for the diffusion of reactant and the removal of product water. In the current study fresh and aged GDLs (Sigracet® GDL34BC) were investigated by X-ray computed tomography to obtain a representative 3D image of the real GDL structure. The examined GDL samples are taken from areas located under the flow channel and under the land. Additionally, a brand new Sigracet® GDL34BC was taken as a reference sample in order to find out the impact of fuel cell assembly on GDL. The produced 3D image data were used to calculate effective transport properties such as thermal and electrical conductivity, diffusivity, permeability and capillary pressure curves of the dry and partially saturated GDL. The simulation indicates flooding by product water occurs at contact angles lower than 125° depending on sample porosity. In addition, GDL anisotropy significantly affects the permeability as well as thermal and electrical conductivities. The calculated material bulk properties could be next used as input for CFD modelling of PEM fuel cells where GDL is usually assumed layer-like and homogeneous. Tensor material parameters allow to consider GDL anisotropy and lead to more realistic results.

Effect of Fluorine Diffusion on Amorphous-InGaZnO-Based Thin-Film Transistors.

PubMed

Jiang, Jingxin; Furuta, Mamoru

2018-08-01

This study investigated the effect of fluorine (F) diffusion from a fluorinated siliconnitride passivation layer (SiNX:F-Pa) into amorphous-InGaZnO-based thin-film transistors (a-IGZO TFTs). The results of thermal desorption spectroscopy and secondary ion mass spectrometry revealed that F was introduced into the SiOX etch-stopper layer (SiOX-ES) during the deposition of a SiNX:F-Pa, and did not originate from desorption of Si-F bonds; and that long annealing times enhanced F diffusion from the SiOX-ES layer to the a-IGZO channel. Improvements to the performance and threshold-voltage (Vth) negative shift of IGZO TFTs were achieved when annealing time increased from 1 h to 3 h; and capacitance-voltage results indicated that F acted as a shallow donor near the source side in a-IGZO and induced the negative Vth shift. In addition, it was found that when IGZO TFTs with SiNX:F-Pa were annealed 4 h, a low-resistance region was formed at the backchannel of the TFT, leading to a drastic negative Vth shift.

Light diffusion in N-layered turbid media: steady-state domain.

PubMed

Liemert, André; Kienle, Alwin

2010-01-01

We deal with light diffusion in N-layered turbid media. The steady-state diffusion equation is solved for N-layered turbid media having a finite or an infinitely thick N'th layer. Different refractive indices are considered in the layers. The Fourier transform formalism is applied to derive analytical solutions of the fluence rate in Fourier space. The inverse Fourier transform is calculated using four different methods to test their performance and accuracy. Further, to avoid numerical errors, approximate formulas in Fourier space are derived. Fast solutions for calculation of the spatially resolved reflectance and transmittance from the N-layered turbid media ( approximately 10 ms) with small relative differences (<10(-7)) are found. Additionally, the solutions of the diffusion equation are compared to Monte Carlo simulations for turbid media having up to 20 layers.

Effect of annealing on magnetoresistance and microstructure of multilayered CoFe/Cu systems with different buffer layer

NASA Astrophysics Data System (ADS)

Bannikova, N. S.; Milyaev, M. A.; Naumova, L. I.; Proglyado, V. V.; Krinitsina, T. P.; Chernyshova, T. A.; Ustinov, V. V.

2015-02-01

The effects of annealing on the structure, magnetic hysteresis, and magnetoresistance of [Co90Fe10(15 Å)/Cu(23 Å)] n superlattices with Cr and Co90Fe10 buffer layers of different thicknesses have been studied. The optimum temperature and time of annealing that increase the magnetoresistance were shown to depend on the buffer layer thickness. The coefficients of effective interlayer diffusion due to the annealing have been determined.

Double-diffusive layers in the Adriatic Sea

NASA Astrophysics Data System (ADS)

Carniel, Sandro; Sclavo, Mauro; Kantha, Lakshmi; Prandke, Hartmut

2008-01-01

A microstructure profiler was deployed to make turbulence measurements in the upper layers of the southern Adriatic Sea in the Mediterranean during the Naval Research Laboratory (NRL) DART06A (Dynamics of the Adriatic in Real Time) winter cruise in March 2006. Measurements in the Po river plume along the Italian coast near the Gargano promontory displayed classic double-diffusive layers and staircase structures resulting from the relatively colder and fresher wintertime Po river outflow water masses overlying warmer and more saline water masses from the Adriatic Sea. We report here on the water mass and turbulence structure measurements made both in the double-diffusive interfaces and the adjoining mixed layers in the water columns undergoing double-diffusive convection (DDC). This dataset augments the relatively sparse observations available hitherto on the diffusive layer type of DDC. Measured turbulence diffusivities are consistent with those from earlier theoretical and experimental formulations, suggesting that the wintertime Po river plume is a convenient and easily accessible place to study double diffusive convective processes of importance to mixing in the interior of many regions of the global oceans.

Cu-Zn binary phase diagram and diffusion couples

NASA Technical Reports Server (NTRS)

Mccoy, Robert A.

1992-01-01

The objectives of this paper are to learn: (1) what information a binary phase diagram can yield; (2) how to construct and heat treat a simple diffusion couple; (3) how to prepare a metallographic sample; (4) how to operate a metallograph; (5) how to correlate phases found in the diffusion couple with phases predicted by the phase diagram; (6) how diffusion couples held at various temperatures could be used to construct a phase diagram; (7) the relation between the thickness of an intermetallic phase layer and the diffusion time; and (8) the effect of one species of atoms diffusing faster than another species in a diffusion couple.

The effect of zinc diffusion on extinction ratio of MQW electroabsorption modulator integrated with DFB laser

NASA Astrophysics Data System (ADS)

Zhou, Daibing; Zhang, Ruikang; Wang, Huitao; Wang, Baojun; Bian, Jing; An, Xin; Zhao, Lingjuan; Zhu, Hongliang; Ji, Chen; Wang, Wei

2014-11-01

Monolithically integrated electroabsorption modulated lasers (EML) are widely being used in the optical fiber communication systems, due to their low chip, compact size and good compatible with the current communication systems. In this paper, we investigated the effect of Zinc diffusion on extinction ratio of electroabsorption modulator (EAM) integrated with distributed feedback laser (DFB). EML was fabricated by selective area growth (SAG) technology. The MQW structure of different quantum energy levels was grown on n-type InP buffer layer with 150nm thick SiO2 parallel stripes mask by selective area metal-organic chemical vapor deposition (MOCVD). A 35nm photoluminescence wavelength variation was observed between the laser area (λPL=1535nm) and modulator area (λPL=1500nm) by adjusting the dimension of parallel stripes. The grating (λ=1550nm) was fabricated in the selective area. The device was mesa ridge structure, which was constituted of the DFB laser, isolation gap and modulator. The length of every part is 300μm, 50μm, and 150μm respectively. Two samples were fabricated with the same structure and different p-type Zn-doped concentration, the extinction ratio of heavy Zn-doped device is 12.5dB at -6V. In contrast, the extinction ratio of light Zn-doped device is 20dB at -6V, that was improved for approximate 60%. The different Zn diffusion depth into the MQW absorption layer was observed by Secondary ion mass spectrometer (SIMS). The heavy Zn-doped device diffused into absorption layer deeper than the light Zn-doped device, which caused the large non-uniformity of the electric field in the MQW layer. So the extinction ratio characteristics can be improved by optimizing the Zn-doped concentration of p-type layer.

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.

Preparation and Thermal Characterization of Annealed Gold Coated Porous Silicon

PubMed Central

Behzad, Kasra; Mat Yunus, Wan Mahmood; Talib, Zainal Abidin; Zakaria, Azmi; Bahrami, Afarin

2012-01-01

Porous silicon (PSi) layers were formed on a p-type Si wafer. Six samples were anodised electrically with a 30 mA/cm2 fixed current density for different etching times. The samples were coated with a 50–60 nm gold layer and annealed at different temperatures under Ar flow. The morphology of the layers, before and after annealing, formed by this method was investigated by scanning electron microscopy (SEM). Photoacoustic spectroscopy (PAS) measurements were carried out to measure the thermal diffusivity (TD) of the PSi and Au/PSi samples. For the Au/PSi samples, the thermal diffusivity was measured before and after annealing to study the effect of annealing. Also to study the aging effect, a comparison was made between freshly annealed samples and samples 30 days after annealing. PMID:28817037

Effect of the fabrication conditions of SiGe LEDs on their luminescence and electrical properties

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

Kalyadin, A. E.; Sobolev, N. A., E-mail: nick@sobolev.ioffe.rssi.ru; Strel’chuk, A. M.

2016-02-15

SiGe-based n{sup +}–p–p{sup +} light-emitting diodes (LEDs) with heavily doped layers fabricated by the diffusion (of boron and phosphorus) and CVD (chemical-vapor deposition of polycrystalline silicon layers doped with boron and phosphorus) techniques are studied. The electroluminescence spectra of both kinds of LEDs are identical, but the emission intensity of CVD diodes is ∼20 times lower. The reverse and forward currents in the CVD diodes are substantially higher than those in diffusion-grown diodes. The poorer luminescence and electrical properties of the CVD diodes are due to the formation of defects at the interface between the emitter and base layers.

Effect of thermal annealing on the photoluminescence of structures with InGaAs/GaAs quantum wells and a low-temperature GaAs layer δ-doped with Mn

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

Kalentyeva, I. L.; Vikhrova, O. V., E-mail: istery@rambler.ru; Danilov, Yu. A.

2016-11-15

The effects of isochronal thermal annealing (at 325–725°C) on the radiative properties of InGaAs/GaAs nanoheterostructures containing a low-temperature GaAs layer δ-doped with Mn grown by laser deposition are studied. A decrease in the photoluminescence intensity and increase in the ground transition energy are observed upon thermal impact for quantum wells located near the low-temperature GaAs layer. The distribution of Mn atoms in the initial and annealed structures is obtained by secondary-ion mass spectrometry. A qualitative model of the observed effects of thermal annealing on the radiative properties of the structures is discussed; this model takes into account two main processes:more » diffusion of point defects (primarily gallium vacancies) from the GaAs coating layer deep into the structure and Mn diffusion in both directions by the dissociation mechanism. Magnetization studies show that, as a result of thermal annealing, an increase in the proportion of the ferromagnetic phase at room temperature (presumably, MnAs clusters) in the low-temperature GaAs coating layer takes place.« less

Large-Eddy Simulation in Planetary Boundary-Layer Research

NASA Technical Reports Server (NTRS)

Wyngaard, J. C.

1985-01-01

The structure and dynamics of the convective boundary layer are discussed. The vertical transport of a conservative, passive scalar was simulated. Also studied were the statistics by top-down and bottom-up scalar fields. Substantial differences were found between them due, presumably, to the asymmetry in the convective boundary layer. A generalization of mixed-layer scaling was developed which allows one to include the effects of top-down diffusion.

Comparison and analysis of theoretical models for diffusion-controlled dissolution.

PubMed

Wang, Yanxing; Abrahamsson, Bertil; Lindfors, Lennart; Brasseur, James G

2012-05-07

Dissolution models require, at their core, an accurate diffusion model. The accuracy of the model for diffusion-dominated dissolution is particularly important with the trend toward micro- and nanoscale drug particles. Often such models are based on the concept of a "diffusion layer." Here a framework is developed for diffusion-dominated dissolution models, and we discuss the inadequacy of classical models that are based on an unphysical constant diffusion layer thickness assumption, or do not correctly modify dissolution rate due to "confinement effects": (1) the increase in bulk concentration from confinement of the dissolution process, (2) the modification of the flux model (the Sherwood number) by confinement. We derive the exact mathematical solution for a spherical particle in a confined fluid with impermeable boundaries. Using this solution, we analyze the accuracy of a time-dependent "infinite domain model" (IDM) and "quasi steady-state model" (QSM), both formally derived for infinite domains but which can be applied in approximate fashion to confined dissolution with proper adjustment of a concentration parameter. We show that dissolution rate is sensitive to the degree of confinement or, equivalently, to the total concentration C(tot). The most practical model, the QSM, is shown to be very accurate for most applications and, consequently, can be used with confidence in design-level dissolution models so long as confinement is accurately treated. The QSM predicts the ratio of diffusion layer thickness to particle radius (the Sherwood number) as a constant plus a correction that depends on the degree of confinement. The QSM also predicts that the time required for complete saturation or dissolution in diffusion-controlled dissolution experiments is singular (i.e., infinite) when total concentration equals the solubility. Using the QSM, we show that measured differences in dissolution rate in a diffusion-controlled dissolution experiment are a result of differences in the degree of confinement on the increase in bulk concentration independent of container geometry and polydisperse vs single particle dissolution. We conclude that the constant diffusion-layer thickness assumption is incorrect in principle and should be replaced by the QSM with accurate treatment of confinement in models of diffusion-controlled dissolution.

Morphology, topography, and hardness of diffusion bonded sialon to AISI 420 at different bonding time

NASA Astrophysics Data System (ADS)

Ibrahim, Nor Nurulhuda Md.; Hussain, Patthi; Awang, Mokhtar

2015-07-01

Sialon and AISI 420 martensitic stainless steel were diffusion bonded in order to study the effect of bonding time on reaction layer's growth. Joining of these materials was conducted at 1200°C under a uniaxial pressure of 17 MPa in a vacuum ranging from 5.0 to 8.0×10-6 Torr with bonding time varied for 0.5, 2, and 3 h. Thicker reaction layer was formed in longer bonded sample since the elements from sialon could diffuse further into the steel. Sialon retained its microstructure but it was affected at the initial contact with the steel to form the new interface layer. Diffusion layer grew toward the steel and it was segregated with the parent steel as a result of the difference in properties between these regions. The segregation formed a stream-like structure and its depth decreased when the bonding time was increased. The microstructure of the steel transformed into large grain size with precipitates. Prolonging the bonding time produced more precipitates in the steel and reduced the steel thickness as well. Interdiffusions of elements occurred between the joined materials and the concentrations were decreasing toward the steel and vice versa. Silicon easily diffused into the steel because it possessed lower ionization potential compared to nitrogen. Formation of silicide and other compounds such as carbides were detected in the interface layer and steel grain boundary, respectively. These compounds were harmful due to silicide brittleness and precipitation of carbides in the grain boundary might cause intergranular corrosion cracking. Sialon retained its hardness but it dropped very low at the interface layer. The absence of crack at the joint in all samples could be contributed from the ductility characteristic of the reaction layer which compensated the residual stress that was formed upon the cooling process.

A model for the compositions of non-stoichiometric intermediate phases formed by diffusion reactions, and its application to Nb 3Sn superconductors

DOE PAGES

Xu, X.; Sumption, M. D.

2016-01-12

In this work we explore the compositions of non-stoichiometric intermediate phases formed by diffusion reactions: a mathematical framework is developed and tested against the specific case of Nb 3Sn superconductors. In the first part, the governing equations for the bulk diffusion and interphase interface reactions during the growth of a compound are derived, numerical solutions to which give both the composition profile and growth rate of the compound layer. The analytic solutions are obtained with certain approximations made. In the second part, we explain an effect that the composition characteristics of compounds can be quite different depending on whether itmore » is the bulk diffusion or grain boundary diffusion that dominates in the compounds, and that “frozen” bulk diffusion leads to unique composition characteristics that the bulk composition of a compound layer remains unchanged after its initial formation instead of varying with the diffusion reaction system; here the model is modified for the case of grain boundary diffusion. Lastly, we apply this model to the Nb 3Sn superconductors and propose approaches to control their compositions.« less

Effect of water vapor on evolution of a thick Pt-layer modified oxide on the NiCoCrAl alloy at high temperature

NASA Astrophysics Data System (ADS)

Song, Peng; He, Xuan; Xiong, Xiping; Ma, Hongqing; Song, Qunling; Lü, Jianguo; Lu, Jiansheng

2018-03-01

To investigate the effect of water vapor on the novel Pt-containing oxide growth behavior, Pt-addition within the oxide layer on the surface of NiCoCrAl coating and furnace cycle tests were carried out at 1050 °C in air and air plus water vapor. The thick Pt-containing oxide layer on NiCoCrAl exhibits a different oxidation growth behavior compared to the conventional Pt-diffusion metallic coatings. The Pt-containing oxide after oxidation in air plus water vapor showed a much thicker oxide layer compare to the ones without Pt addition, and also presented a much better coating adhesion. During the oxidation process in air, Pt promotes the spinel (NiCr2O4) formation. However, the Cr2O3 formed in air with water vapor and fixed Pt within the complex oxide layer. The water vapor promoted the Ni and Co outer-diffusion, and combined with Pt to form CoPt compounds on the surface of the NiCoCrAl coating system.

Microstructures and Properties of 40Cu/Ag(Invar) Composites Fabricated by Powder Metallurgy and Subsequent Thermo-Mechanical Treatment

NASA Astrophysics Data System (ADS)

Zhang, Xin; Huang, Yingqiu; Liu, Xiangyu; Yang, Lei; Shi, Changdong; Wu, Yucheng; Tang, Wenming

2018-03-01

Composites of 40Cu/Ag(Invar) were prepared via pressureless sintering and subsequent thermo-mechanical treatment from raw materials of electroless Ag-plated Invar alloy powder and electrolytic Cu powder. Microstructures and properties of the prepared composites were studied to evaluate the effect of the Ag layer on blocking Cu/Invar interfacial diffusion in the composites. The electroless-plated Ag layer was dense, uniform, continuous, and bonded tightly with the Invar alloy substrate. During sintering of the composites, the Ag layer effectively prevented Cu/Invar interfacial diffusion. During cold-rolling, the Ag layer was deformed uniformly with the Invar alloy particles. The composites exhibited bi-continuous network structure and considerably improved properties. After sintering at 775 °C and subsequent thermo-mechanical treatment, the 40Cu/Ag(Invar) composites showed satisfactory comprehensive properties: relative density of 99.0 pct, hardness of HV 253, thermal conductivity of 55.7 W/(m K), and coefficient of thermal expansion of 11.2 × 10-6/K.

Molecular Dynamics Simulations of the Oil-Detachment from the Hydroxylated Silica Surface: Effects of Surfactants, Electrostatic Interactions, and Water Flows on the Water Molecular Channel Formation.

PubMed

Tang, Jian; Qu, Zhou; Luo, Jianhui; He, Lanyan; Wang, Pingmei; Zhang, Ping; Tang, Xianqiong; Pei, Yong; Ding, Bin; Peng, Baoliang; Huang, Yunqing

2018-02-15

The detachment process of an oil molecular layer situated above a horizontal substrate was often described by a three-stage process. In this mechanism, the penetration and diffusion of water molecules between the oil phase and the substrate was proposed to be a crucial step to aid in removal of oil layer/drops from substrate. In this work, the detachment process of a two-dimensional alkane molecule layer from a silica surface in aqueous surfactant solutions is studied by means of molecular dynamics (MD) simulations. By tuning the polarity of model silica surfaces, as well as considering the different types of surfactant molecules and the water flow effects, more details about the formation of water molecular channel and the expansion processes are elucidated. It is found that for both ionic and nonionic type surfactant solutions, the perturbation of surfactant molecules on the two-dimensional oil molecule layer facilitates the injection and diffusion of water molecules between the oil layer and silica substrate. However, the water channel formation and expansion speed is strongly affected by the substrate polarity and properties of surfactant molecules. First, only for the silica surface with relative stronger polarity, the formation of water molecular channel is observed. Second, the expansion speed of the water molecular channel upon the ionic surfactant (dodecyl trimethylammonium bromide, DTAB and sodium dodecyl benzenesulfonate, SDBS) flooding is more rapidly than the nonionic surfactant system (octylphenol polyoxyethylene(10) ether, OP-10). Third, the water flow speed may also affect the injection and diffusion of water molecules. These simulation results indicate that the water molecular channel formation process is affected by multiple factors. The synergistic effects of perturbation of surfactant molecules and the electrostatic interactions between silica substrate and water molecules are two key factors aiding in the injection and diffusion of water molecules and helpful for the oil detachment from silica substrate.

Surface Flashover of Semiconductors: A Fundamental Study

DTIC Science & Technology

1993-06-16

surface electric fields for a number of samples with aluminum and gold contacts. Effects of processing varia- tions such as anneal method (rapid thermal...more uniform pre- breakdown surface fields. 3. Various contact materials and processing methods were used to determine effects on flashover...diffusion depths determined by this method were generally consistent with the estimated depths. 2-4 In order to characterize better the diffused layers

Characteristic time scales for diffusion processes through layers and across interfaces

NASA Astrophysics Data System (ADS)

Carr, Elliot J.

2018-04-01

This paper presents a simple tool for characterizing the time scale for continuum diffusion processes through layered heterogeneous media. This mathematical problem is motivated by several practical applications such as heat transport in composite materials, flow in layered aquifers, and drug diffusion through the layers of the skin. In such processes, the physical properties of the medium vary across layers and internal boundary conditions apply at the interfaces between adjacent layers. To characterize the time scale, we use the concept of mean action time, which provides the mean time scale at each position in the medium by utilizing the fact that the transition of the transient solution of the underlying partial differential equation model, from initial state to steady state, can be represented as a cumulative distribution function of time. Using this concept, we define the characteristic time scale for a multilayer diffusion process as the maximum value of the mean action time across the layered medium. For given initial conditions and internal and external boundary conditions, this approach leads to simple algebraic expressions for characterizing the time scale that depend on the physical and geometrical properties of the medium, such as the diffusivities and lengths of the layers. Numerical examples demonstrate that these expressions provide useful insight into explaining how the parameters in the model affect the time it takes for a multilayer diffusion process to reach steady state.

Characteristic time scales for diffusion processes through layers and across interfaces.

PubMed

Carr, Elliot J

2018-04-01

This paper presents a simple tool for characterizing the time scale for continuum diffusion processes through layered heterogeneous media. This mathematical problem is motivated by several practical applications such as heat transport in composite materials, flow in layered aquifers, and drug diffusion through the layers of the skin. In such processes, the physical properties of the medium vary across layers and internal boundary conditions apply at the interfaces between adjacent layers. To characterize the time scale, we use the concept of mean action time, which provides the mean time scale at each position in the medium by utilizing the fact that the transition of the transient solution of the underlying partial differential equation model, from initial state to steady state, can be represented as a cumulative distribution function of time. Using this concept, we define the characteristic time scale for a multilayer diffusion process as the maximum value of the mean action time across the layered medium. For given initial conditions and internal and external boundary conditions, this approach leads to simple algebraic expressions for characterizing the time scale that depend on the physical and geometrical properties of the medium, such as the diffusivities and lengths of the layers. Numerical examples demonstrate that these expressions provide useful insight into explaining how the parameters in the model affect the time it takes for a multilayer diffusion process to reach steady state.

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.

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

Lim, P.C.; Tay, J.H.

The role of the unsaturated properties of sand as a drainage layer in a composite liner system for landfills is investigated. The effect of the unsaturated properties of coarse-grained soil on contaminant migration was evaluated by means of a series of simulations using a one-dimensional model of a two- and a three-layer soil liner system for advection and diffusion, respectively. The results showed that under seepage conditions, the effect of an unsaturated sand layer on the advancement of the concentration front was quite insignificant. The arrival time of the C/C{sub o} = 0.5 concentration front increased from 651 days formore » the case with no sand layer to approximately 951 days for the case with a 1.0-m sand layer. A steady-state flow condition was ultimately established in the sand, and this fact suggests that the capillary action might not be effective. For diffusion, the arrival time of the concentration front increased nonlinearly with a decrease in the degree of saturation and linearly with increasing depths of the sand layer. At a residual degree of saturation, the arrival times of the C/C{sub o} = 0.01 and 0.5 concentration front at the base of the 1-m sand layer were 26.9 and 877.4 years as compared to 1.52 and 2.62 years by advection, respectively. 17 refs., 11 figs.« less

Effect of through-plane polytetrafluoroethylene distribution in gas diffusion layers on performance of proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Ito, Hiroshi; Iwamura, Takuya; Someya, Satoshi; Munakata, Tetsuo; Nakano, Akihiro; Heo, Yun; Ishida, Masayoshi; Nakajima, Hironori; Kitahara, Tatsumi

2016-02-01

This experimental study identifies the effect of through-plane polytetrafluoroethylene (PTFE) distribution in gas diffusion backing (GDB) on the performance of proton exchange membrane fuel cells (PEMFC). PTFE-drying under vacuum pressure created a relatively uniform PTFE distribution in GDB compared to drying under atmospheric pressure. Carbon paper samples with different PTFE distributions due to the difference in drying conditions were prepared and used for the cathode gas diffusion layer (GDL) of PEMFCs. Also investigated is the effect of MPL application on the performance for those samples. The current density (i) - voltage (V) characteristics of these PEMFCs measured under high relative humidity conditions clearly showed that, with or without MPL, the cell using the GDL with PTFE dried under vacuum condition showed better performance than that dried under atmospheric condition. It is suggested that this improved performance is caused by the efficient transport of liquid water through the GDB due to the uniform distribution of PTFE.

Effect of horizontal molecular orientation on triplet-exciton diffusion in amorphous organic films

NASA Astrophysics Data System (ADS)

Sawabe, T.; Takasu, I.; Yonehara, T.; Ono, T.; Yoshida, J.; Enomoto, S.; Amemiya, I.; Adachi, C.

2012-09-01

Triplet harvesting is a candidate technology for highly efficient and long-life white OLEDs, where green or red phosphorescent emitters are activated by the triplet-excitons diffused from blue fluorescent emitters. We examined two oxadiazole-based electron transport materials with different horizontal molecular orientation as a triplet-exciton diffusion layer (TDL) in triplet-harvesting OLEDs. The device characteristics and the transient electroluminescent analyses of the red phosphorescent emitter showed that the triplet-exciton diffusion was more effective in the highly oriented TDL. The results are ascribed to the strong orbital overlap between the oriented molecules, which provides rapid electron exchange (Dexter energy transfer) in the TDL.

A three-dimensional spin-diffusion model for micromagnetics

PubMed Central

Abert, Claas; Ruggeri, Michele; Bruckner, Florian; Vogler, Christoph; Hrkac, Gino; Praetorius, Dirk; Suess, Dieter

2015-01-01

We solve a time-dependent three-dimensional spin-diffusion model coupled to the Landau-Lifshitz-Gilbert equation numerically. The presented model is validated by comparison to two established spin-torque models: The model of Slonzewski that describes spin-torque in multi-layer structures in the presence of a fixed layer and the model of Zhang and Li that describes current driven domain-wall motion. It is shown that both models are incorporated by the spin-diffusion description, i.e., the nonlocal effects of the Slonzewski model are captured as well as the spin-accumulation due to magnetization gradients as described by the model of Zhang and Li. Moreover, the presented method is able to resolve the time dependency of the spin-accumulation. PMID:26442796

Diffusion studies and critical current in superconducting Nb-Ti-Ta artificial pinning center wire

NASA Astrophysics Data System (ADS)

Bormio-Nunes, C.; Gomes, P. M. N.; Tirelli, M. A.; Ghivelder, L.

2005-08-01

The diffusion between Nb-20%Ta (wt %) and pure Ti is studied at temperatures of 973, 1023, and 1073K, for duration times among 25 and 121h in an artificial pinning center (APC) wire composed of a Ti core surrounded by a Nb-20%Ta layer. The produced diffusion layer is a ternary alloy with superconducting properties, such as critical field Bc2 and critical current density JC, which intrinsically depend on the layer composition. Measurements of layer morphology and composition were performed, and the results show a preferential diffusion of Nb and Ta into Ti. There is a slight diffusion of Ti into Nb through grain boundaries. The presence of Ta also slows down the diffusion of Nb in Ti if compared to the couple formed by pure Nb and Ti. Regarding the mechanical properties of the composite wire, the use of lower temperatures to form the ternary phase is desirable in order to avoid a larger portion of the diffusion layer rich in Ti that favorites α-Ti precipitations that are detrimental to the wire ductility. The best JC value was obtained for the sample heat treated at 973K. The improvement of the flux-line pinning was associated with a sharp change of the diffusion layer composition rather than pinning by normal layer interfaces, suggesting a new source of pinning in this kind of material. Nb-Ti-Ta ternary alloys have the potential to be used in superconducting magnets when fields above 12T are required.

Diffusion in porous layers with memory

NASA Astrophysics Data System (ADS)

Caputo, Michele; Plastino, Wolfango

2004-07-01

The process of diffusion of fluid in porous media and biological membranes has usually been modelled with Darcy's constitutive equation, which states that the flux is proportional to the pressure gradient. However, when the permeability of the matrix changes during the process, solution of the equations governing the diffusion presents severe analytical difficulties because the variation of permeability is not known a priori. A diverse formulation of the constitutive law of diffusion is therefore needed and many authors have studied this problem using various methods and solutions. In this paper Darcy's constitutive equation is modified with the introduction of a memory formalism. We have also modified the second constitutive equation of diffusion which relates the density variations in the fluid to the pressure, introducing rheology in the fluid represented by memory formalisms operating on pressure variations as well as on density variations. The memory formalisms are then specified as derivatives of fractional order, solving the problem in the case of a porous layer when constant pressures are applied to its sides. For technical reasons many studies of diffusion are devoted to the flux rather than to the pressure; in this work we shall devote our attention to studying the pressure and compute the Green's function of the pressure in the layer when a constant pressure is applied to the boundary (Case A) for which we have found closed-form formulae. The described problem has already been considered for a half space (Caputo 2000); however, the results for a half space are mostly qualitative since in most practical problems the diffusion occurs in layers. The solution is also readily extended to the case when a periodic pressure is applied to one of the boundary planes while on the other the pressure is constant (Case B) which mimics the effect of the tides on sea coasts. In this case we have found a skin effect for the flux which limits the flux to a surface layer whose thickness decreases with increasing frequency. Regarding the effect of pressure due to tidal waters on the coast, it has been observed that when the medium is sand and the fluid is water, for a sinusoidal pressure of 2 × 104 Pa and a period of 24 hr at one of the boundaries and zero pressure at the other boundary, the flux is sinusoidal with the same period and amplitude decaying exponentially with distance to become negligible at a distance of a few hundred metres. A brief discussion is given concerning the mode of determination of the parameters of memory formalisms governing the diffusion using the observed pressure at several frequencies. We shall also see that, as in the classic case of pure Darcy's law behaviour, the equation governing the flux resulting in the diffusion through porous media with memory is the same as that governing the pressure.

How multiple social networks affect user awareness: The information diffusion process in multiplex networks

NASA Astrophysics Data System (ADS)

Li, Weihua; Tang, Shaoting; Fang, Wenyi; Guo, Quantong; Zhang, Xiao; Zheng, Zhiming

2015-10-01

The information diffusion process in single complex networks has been extensively studied, especially for modeling the spreading activities in online social networks. However, individuals usually use multiple social networks at the same time, and can share the information they have learned from one social network to another. This phenomenon gives rise to a new diffusion process on multiplex networks with more than one network layer. In this paper we account for this multiplex network spreading by proposing a model of information diffusion in two-layer multiplex networks. We develop a theoretical framework using bond percolation and cascading failure to describe the intralayer and interlayer diffusion. This allows us to obtain analytical solutions for the fraction of informed individuals as a function of transmissibility T and the interlayer transmission rate θ . Simulation results show that interaction between layers can greatly enhance the information diffusion process. And explosive diffusion can occur even if the transmissibility of the focal layer is under the critical threshold, due to interlayer transmission.

Phosphorus diffusion gettering process of multicrystalline silicon using a sacrificial porous silicon layer

PubMed Central

2012-01-01

The aims of this work are to getter undesirable impurities from low-cost multicrystalline silicon (mc-Si) wafers and then enhance their electronic properties. We used an efficient process which consists of applying phosphorus diffusion into a sacrificial porous silicon (PS) layer in which the gettered impurities have been trapped after the heat treatment. As we have expected, after removing the phosphorus-rich PS layer, the electrical properties of the mc-Si wafers were significantly improved. The PS layers, realized on both sides of the mc-Si substrates, were formed by the stain-etching technique. The phosphorus treatment was achieved using a liquid POCl3-based source on both sides of the mc-Si wafers. The realized phosphorus/PS/Si/PS/phosphorus structures were annealed at a temperature ranging between 700°C and 950°C under a controlled O2 atmosphere, which allows phosphorus to diffuse throughout the PS layers and to getter eventual metal impurities towards the phosphorus-doped PS layer. The effect of this gettering procedure was investigated by means of internal quantum efficiency and the dark current–voltage (I-V) characteristics. The minority carrier lifetime measurements were made using a WTC-120 photoconductance lifetime tester. The serial resistance and the shunt resistance carried out from the dark I-V curves confirm this gettering-related solar cell improvement. It has been shown that the photovoltaic parameters of the gettered silicon solar cells were improved with regard to the ungettered one, which proves the beneficial effect of this gettering process on the conversion efficiency of the multicrystalline silicon solar cells. PMID:22846070

Analysis of Al diffusion processes in TiN barrier layers for the application in silicon solar cell metallization

NASA Astrophysics Data System (ADS)

Kumm, J.; Samadi, H.; Chacko, R. V.; Hartmann, P.; Wolf, A.

2016-07-01

An evaporated Al layer is known as an excellent rear metallization for highly efficient solar cells, but suffers from incompatibility with a common solder process. To enable solar cell-interconnection and module integration, in this work the Al layer is complemented with a solder stack of TiN/Ti/Ag or TiN/NiV/Ag, in which the TiN layer acts as an Al diffusion barrier. X-ray photoelectron spectroscopy measurements prove that diffusion of Al through the stack and the formation of an Al2O3 layer on the stack's surface are responsible for a loss of solderability after a strong post-metallization anneal, which is often mandatory to improve contact resistance and passivation quality. An optimization of the reactive TiN sputter process results in a densification of the TiN layer, which improves its barrier quality against Al diffusion. However, measurements with X-ray diffraction and scanning electron microscopy show that small grains with vertical grain boundaries persist, which still offer fast diffusion paths. Therefore, the concept of stuffing is introduced. By incorporating oxygen into the grain boundaries of the sputtered TiN layer, Al diffusion is strongly reduced as confirmed by secondary ion mass spectroscopy profiles. A quantitative analysis reveals a one order of magnitude lower Al diffusion coefficient for stuffed TiN layers. This metallization system maintains its solderability even after strong post-metallization annealing at 425 °C for 15 min. This paper thus presents an industrially feasible, conventionally solderable, and long-term stable metallization scheme for highly efficient silicon solar cells.

Modeling growth kinetics of thin films made by atomic layer deposition in lateral high-aspect-ratio structures

NASA Astrophysics Data System (ADS)

Ylilammi, Markku; Ylivaara, Oili M. E.; Puurunen, Riikka L.

2018-05-01

The conformality of thin films grown by atomic layer deposition (ALD) is studied using all-silicon test structures with long narrow lateral channels. A diffusion model, developed in this work, is used for studying the propagation of ALD growth in narrow channels. The diffusion model takes into account the gas transportation at low pressures, the dynamic Langmuir adsorption model for the film growth and the effect of channel narrowing due to film growth. The film growth is calculated by solving the diffusion equation with surface reactions. An efficient analytic approximate solution of the diffusion equation is developed for fitting the model to the measured thickness profile. The fitting gives the equilibrium constant of adsorption and the sticking coefficient. This model and Gordon's plug flow model are compared. The simulations predict the experimental measurement results quite well for Al2O3 and TiO2 ALD processes.

A novel method for computing effective diffusivity: Application to helium implanted α-Fe thin films

NASA Astrophysics Data System (ADS)

Dunn, Aaron; Agudo-Merida, Laura; Martin-Bragado, Ignacio; McPhie, Mathieu; Cherkaoui, Mohammed; Capolungo, Laurent

2014-05-01

The effective diffusivity of helium in thin iron films is quantified using spatially resolved stochastic cluster dynamics and object kinetic Monte Carlo simulations. The roles of total displacement dose (in DPA), damage rate, helium to DPA ratio, layer thickness, and damage type (cascade damage vs Frenkel pair implantation) on effective He diffusivity are investigated. Helium diffusivity is found to decrease with increasing total damage and decreasing damage rate. Arrhenius plots show strongly increased helium diffusivity at high temperatures, high total implantation, and low implantation rates due to decreased vacancy and vacancy cluster concentrations. At low temperatures, effective diffusivity is weakly dependent on foil thickness while at high temperatures, narrower foils prevent defect accumulation by releasing all defects at the free surfaces. Helium to DPA ratio is not shown to strongly change helium diffusivity in the range of irradiation conditions simulated. Frenkel pair implantation is shown to cause higher effective diffusivity and more complex diffusion mechanisms than cascade implantation. The results of these simulations indicate that the differences in damage rates between implantation experiments and fission or fusion environments may result in differences in the final microstructure.

Lateral Hydrogen Diffusion at p-GaN Layers in Nitride-Based Light Emitting Diodes with Tunnel Junctions

NASA Astrophysics Data System (ADS)

Kuwano, Yuka; Kaga, Mitsuru; Morita, Takatoshi; Yamashita, Kouji; Yagi, Kouta; Iwaya, Motoaki; Takeuchi, Tetsuya; Kamiyama, Satoshi; Akasaki, Isamu

2013-08-01

We demonstrated lateral Mg activation along p-GaN layers underneath n-GaN surface layers in nitride-based light emitting diodes (LEDs) with GaInN tunnel junctions. A high temperature thermal annealing was effective for the lateral Mg activation when the p-GaN layers were partly exposed to an oxygen ambient as etched sidewalls. The activated regions gradually extended from the etched sidewalls to the centers with an increase of annealing time, observed as emission regions with current injection. These results suggest that hydrogen diffuses not vertically thorough the above n-GaN but laterally through the exposed portions of the p-GaN. The lowest voltage drop at the GaInN tunnel junction was estimated to be 0.9 V at 50 mA with the optimized annealing condition.

Effects of Formation Heterogeneity in Semi-Confining Shale Layers in Enhancing Mixing and Storage of Dissolved CO2

NASA Astrophysics Data System (ADS)

Illangasekare, T. H.; Agartan Karacaer, E.; Vargas-Johnson, J.; Cihan, A.; Birkholzer, J. T.

2017-12-01

It is expected that heterogeneity of the deep geologic formation to play a key role in both trapping of supercritical CO2 and its mixing in the formation brine. In previously reported research by the authors, a set of laboratory experiments and field-scale simulations were used to show that convective mixing and diffusion controlled trapping are two important mechanisms that contribute to the dissolution trapping in multilayered systems with homogeneous low-permeability zones such as shale. However, these low-permeability layers (e.g. shale) are not always homogeneous due to their composition and texture variations in addition to the presence of faults, fractures and fissures. In this study, we investigated the potential outcomes of heterogeneity present within these semi-confining low-permeability layers in regards to mixing and storage of dissolved CO2. An intermediate-scale laboratory experiment was designed to investigate the contribution of convective mixing, diffusion controlled trapping and back diffusion to long-term storage of dissolved CO2 in multilayered formations with heterogeneous low-permeability layers. The experiment was performed using a surrogate fluid combination to represent dissolved CO2 and brine under ambient pressure and temperature conditions. After verifying the numerical model with the experimental results, different distributions of the same low-permeability materials having similar volume ratios with the experimentally studied scenario were tested numerically. The experiment and modeling results showed that connectivity of higher permeability material within the semi-confining low-permeability layers contributes to mixing through brine leakage between upper and lower aquifers, storage through diffusion, and in the long term, back diffusion of stored mass due to reversed concentration gradient.

Structural Stability of Diffusion Barriers in Cu/Ru/MgO/Ta/Si

PubMed Central

Hsieh, Shu-Huei; Chen, Wen Jauh; Chien, Chu-Mo

2015-01-01

Various structures of Cu (50 nm)/Ru (2 nm)/MgO (0.5–3 nm)/Ta (2 nm)/Si were prepared by sputtering and electroplating techniques, in which the ultra-thin trilayer of Ru (2 nm)/MgO (0.5–3 nm)/Ta (2 nm) is used as the diffusion barrier against the interdiffusion between Cu film and Si substrate. The various structures of Cu/Ru/MgO/Ta/Si were characterized by four-point probes for their sheet resistances, by X-ray diffractometers for their crystal structures, by scanning electron microscopes for their surface morphologies, and by transmission electron microscopes for their cross-section and high resolution views. The results showed that the ultra-thin tri-layer of Ru (2 nm)/MgO (0.5–3 nm)/Ta (2 nm) is an effective diffusion barrier against the interdiffusion between Cu film and Si substrate. The MgO, and Ta layers as deposited are amorphous. The mechanism for the failure of the diffusion barrier is that the Ru layer first became discontinuous at a high temperature and the Ta layer sequentially become discontinuous at a higher temperature, the Cu atoms then diffuse through the MgO layer and to the substrate at the discontinuities, and the Cu3Si phases finally form. The maximum temperature at which the structures of Cu (50 nm)/Ru (2 nm)/MgO (0.5–3 nm)/Ta (2 nm)/Si are annealed and still have low sheet resistance is from 550 to 750 °C for the annealing time of 5 min and from 500 to 700 °C for the annealing time of 30 min. PMID:28347099

The role of boundary variability in polycrystalline grain-boundary diffusion

NASA Astrophysics Data System (ADS)

Moghadam, M. M.; Rickman, J. M.; Harmer, M. P.; Chan, H. M.

2015-01-01

We investigate the impact of grain-boundary variability on mass transport in a polycrystal. More specifically, we perform both numerical and analytical studies of steady-state diffusion in prototypical microstructures in which there is either a discrete spectrum of grain-boundary activation energies or else a complex distribution of grain-boundary character, and hence a continuous spectrum of boundary activation energies. An effective diffusivity is calculated for these structures using simplified multi-state models and, for the case of a continuous spectrum, employing experimentally obtained grain-boundary energy data. We identify different diffusive regimes for these cases and quantify deviations from Arrhenius behavior using effective medium theory. Finally, we examine the diffusion kinetics of a simplified model of an interfacial layering (i.e., complexion) transition.

Diffusion in coronas around clinopyroxene: modelling with local equilibrium and steady state, and a non-steady-state modification to account for zoned actinolite-hornblende

NASA Astrophysics Data System (ADS)

Ashworth, J. R.; Birdi, J. J.; Emmett, T. F.

1992-01-01

Retrograde coronas of Caledonian age, between clinopyroxene and plagioclase in the Jotun Nappe Complex, Norway, illustrate the effects of diffusion kinetics on mineral distributions among layers and on the compositions of hornblende-actinolite. One corona type comprises a symplectite of epidote + quartz adjacent to plagioclase, and a less well-organized intergrowth of amphibole + quartz replacing clinopyroxene. The observed mineral proportions imply an open-system reaction, but the similarity of Al/Si ratios in reactant plagioclase and product symplectite indicates approximate conservation of Al2O3 and SiO2. The largest inferred open-system flux is a loss of CaO, mostly derived from consumption of clinopyroxene. The approximate layer structure, Pl|Ep + Qtz|Hbl + Qtz|Act±Hbl + Qtz|Cpx, is modelled using the theory of steady-state diffusion-controlled growth with local equilibrium. To obtain a solution, it is necessary to use a reactant plagioclase composition which takes into account aluminous (epidote) inclusions. The results indicate that, in terms of Onsager diffusion coefficients L ii , Ca is more mobile than AL ( L CaCa/ L AlAl≳3.) (where ≳ means greater than or approximately equal to). This behaviour of Ca is comparable with that of Mg in previously studied coronas around olivine. Si is non-diffusing in the present modelling, because of silica saturation. Oxidation of some Fe2+ to Fe3+ occurs within the corona. Mg diffuses towards its source (clinopyroxene) to maintain local equilibrium. Other coronas consist of two layers, hornblende adjacent to plagioclase and zoned amphibole + quartz adjacent to clinopyroxene. In the zoned layer, actinolitic hornblende forms relict patches, separated from quartz blebs by more aluminous hornblende. A preliminary steady-state, local-equilibrium model of grain-boundary diffusion explains the formation of low-Al and high-Al layers as due to Al immobility. Zoning and replacement are qualitatively explained in terms of evolution of actinolite to more stable aluminous compositions. This is modelled by a non-steady-state modification of the theory, retaining local equilibrium in grain boundaries while relatively steep zoning profiles develop in grain interiors through slow intracrystalline diffusion. Replacement of actinolite by hornblende does not require a change in P- T conditions if actinolite is a kinetically determined, non-equilibrium product. The common preservation of a sharp contact between hornblende and actionolite layers may be explained by ineffectiveness of intracrystalline diffusion: according to the theory, given sufficient grain-boundary Al flux, a metastable actinolite + quartz layer in contact with hornblende may be diffusionally stable and may continue to grow in a steady state.

Marangoni convection in Casson liquid flow due to an infinite disk with exponential space dependent heat source and cross-diffusion effects

NASA Astrophysics Data System (ADS)

Mahanthesh, B.; Gireesha, B. J.; Shashikumar, N. S.; Hayat, T.; Alsaedi, A.

2018-06-01

Present work aims to investigate the features of the exponential space dependent heat source (ESHS) and cross-diffusion effects in Marangoni convective heat mass transfer flow due to an infinite disk. Flow analysis is comprised with magnetohydrodynamics (MHD). The effects of Joule heating, viscous dissipation and solar radiation are also utilized. The thermal and solute field on the disk surface varies in a quadratic manner. The ordinary differential equations have been obtained by utilizing Von Kármán transformations. The resulting problem under consideration is solved numerically via Runge-Kutta-Fehlberg based shooting scheme. The effects of involved pertinent flow parameters are explored by graphical illustrations. Results point out that the ESHS effect dominates thermal dependent heat source effect on thermal boundary layer growth. The concentration and temperature distributions and their associated layer thicknesses are enhanced by Marangoni effect.

Influence of earlobe thickness on near infrared spectroscopy

NASA Astrophysics Data System (ADS)

Jiang, Jingying; Wang, Tianpei; Li, Si; Li, Lin; Liu, Jiajia; Xu, Kexin

2017-03-01

Near-infrared spectroscopy has been recognized as a potential technology for noninvasive blood glucose sensing. However, the detected spectral signal is unstable mainly because of (1) the weak light absorption of glucose itself within NIR range, (2) the influence of temperature and individual differences of biotissue. Our previous results demonstrated that the synergistic effect of both transmittance and reflectance could enhance the strength of the detection signal. In this talk, we design a set of experiments to analyze the effect of earlobe thickness on Near Infrared spectroscopic measurement by using home-made optical fiber probe within the wavelength of 1000-1600nm. Firstly, we made a MC simulation of single-layer skin model and five-layer skin model to get the diffused transmittance spectra and diffused reflectance spectra under different optaical path lengths. And then we obtain the spectra of the earlobes from different volunteers by the same way. The experimental results showed that with the increase of the thickness,the light intensity of diffused transmittance decreases, and the light intensity of diffused reflectance remaines substantially unchanged.

Diffusion induced atomic islands on the surface of Ni/Cu nanolayers

NASA Astrophysics Data System (ADS)

Takáts, Viktor; Csik, Attila; Hakl, József; Vad, Kálmán

2018-05-01

Surface islands formed by grain-boundary diffusion has been studied in Ni/Cu nanolayers by in-situ low energy ion scattering spectroscopy, X-ray photoelectron spectroscopy, scanning probe microscopy and ex-situ depth profiling based on ion sputtering. In this paper a new experimental approach of measurement of grain-boundary diffusion coefficients is presented. Appearing time of copper atoms diffused through a few nanometer thick nickel layer has been detected by low energy ion scattering spectroscopy with high sensitivity. The grain-boundary diffusion coefficient can be directly calculated from this appearing time without using segregation factors in calculations. The temperature range of 423-463 K insures the pure C-type diffusion kinetic regime. The most important result is that surface coverage of Ni layer by Cu atoms reaches a maximum during annealing and stays constant if the annealing procedure is continued. Scanning probe microscopy measurements show a Volmer-Weber type layer growth of Cu layer on the Ni surface in the form of Cu atomic islands. Depth distribution of Cu in Ni layer has been determined by depth profile analysis.

Mathematical modelling of the Phloem: the importance of diffusion on sugar transport at osmotic equilibrium.

PubMed

Payvandi, S; Daly, K R; Zygalakis, K C; Roose, T

2014-11-01

Plants rely on the conducting vessels of the phloem to transport the products of photosynthesis from the leaves to the roots, or to any other organs, for growth, metabolism, and storage. Transport within the phloem is due to an osmotically-generated pressure gradient and is hence inherently nonlinear. Since convection dominates over diffusion in the main bulk flow, the effects of diffusive transport have generally been neglected by previous authors. However, diffusion is important due to boundary layers that form at the ends of the phloem, and at the leaf-stem and stem-root boundaries. We present a mathematical model of transport which includes the effects of diffusion. We solve the system analytically in the limit of high Münch number which corresponds to osmotic equilibrium and numerically for all parameter values. We find that the bulk solution is dependent on the diffusion-dominated boundary layers. Hence, even for large Péclet number, it is not always correct to neglect diffusion. We consider the cases of passive and active sugar loading and unloading. We show that for active unloading, the solutions diverge with increasing Péclet. For passive unloading, the convergence of the solutions is dependent on the magnitude of loading. Diffusion also permits the modelling of an axial efflux of sugar in the root zone which may be important for the growing root tip and for promoting symbiotic biological interactions in the soil. Therefore, diffusion is an essential mechanism for transport in the phloem and must be included to accurately predict flow.

Diversity of multilayer networks and its impact on collaborating epidemics

NASA Astrophysics Data System (ADS)

Min, Yong; Hu, Jiaren; Wang, Weihong; Ge, Ying; Chang, Jie; Jin, Xiaogang

2014-12-01

Interacting epidemics on diverse multilayer networks are increasingly important in modeling and analyzing the diffusion processes of real complex systems. A viral agent spreading on one layer of a multilayer network can interact with its counterparts by promoting (cooperative interaction), suppressing (competitive interaction), or inducing (collaborating interaction) its diffusion on other layers. Collaborating interaction displays different patterns: (i) random collaboration, where intralayer or interlayer induction has the same probability; (ii) concentrating collaboration, where consecutive intralayer induction is guaranteed with a probability of 1; and (iii) cascading collaboration, where consecutive intralayer induction is banned with a probability of 0. In this paper, we develop a top-bottom framework that uses only two distributions, the overlaid degree distribution and edge-type distribution, to model collaborating epidemics on multilayer networks. We then state the response of three collaborating patterns to structural diversity (evenness and difference of network layers). For viral agents with small transmissibility, we find that random collaboration is more effective in networks with higher diversity (high evenness and difference), while the concentrating pattern is more suitable in uneven networks. Interestingly, the cascading pattern requires a network with moderate difference and high evenness, and the moderately uneven coupling of multiple network layers can effectively increase robustness to resist cascading failure. With large transmissibility, however, we find that all collaborating patterns are more effective in high-diversity networks. Our work provides a systemic analysis of collaborating epidemics on multilayer networks. The results enhance our understanding of biotic and informative diffusion through multiple vectors.

Progress in MOSFET double-layer metalization

NASA Technical Reports Server (NTRS)

Gassaway, J. D.; Trotter, J. D.; Wade, T. E.

1980-01-01

Report describes one-year research effort in VLSL fabrication. Four activities are described: theoretical study of two-dimensional diffusion in SOS (silicon-on-sapphire); setup of sputtering system, furnaces, and photolithography equipment; experiments on double layer metal; and investigation of two-dimensional modeling of MOSFET's (metal-oxide-semiconductor field-effect transistors).

Toward the existence of ultrafast diffusion paths in Cu with a gradient microstructure: Room temperature diffusion of Ni

NASA Astrophysics Data System (ADS)

Wang, Z. B.; Lu, K.; Wilde, G.; Divinski, S.

2008-09-01

Room temperature diffusion of Ni63 in Cu with a gradient microstructure prepared by surface mechanical attrition treatment (SMAT) was investigated by applying the radiotracer technique. The results reveal significant penetration of Ni into the nanostructured layer. The relevant diffusivity is higher than that along the conventional high-angle grain boundaries by about six orders of magnitude. This behavior is associated with a higher energy state of internal interfaces produced via plastic deformation. The diffusivity in the top surface layer is somewhat smaller than that in the subsurface layer. This fact is related to nanotwin formation in the former during SMAT.

Linking pore-scale and basin-scale effects on diffusive methane transport in hydrate bearing environments through multi-scale reservoir simulations

NASA Astrophysics Data System (ADS)

Nole, M.; Daigle, H.; Cook, A.; Malinverno, A.; Hillman, J. I. T.

2016-12-01

We explore the gas hydrate-generating capacity of diffusive methane transport induced by solubility gradients due to pore size contrasts in lithologically heterogeneous marine sediments. Through the use of 1D, 2D, and 3D reactive transport simulations, we investigate scale-dependent processes in diffusion-dominated gas hydrate systems. These simulations all track a sand body, or series of sands, surrounded by clays as they are buried through the gas hydrate stability zone. Methane is sourced by microbial methanogenesis in the clays surrounding the sand layers. In 1D, simulations performed in a Lagrangian reference frame demonstrate that gas hydrate in thin sands (3.6 m thick) can occur in high saturations (upward of 70%) at the edges of sand bodies within the upper 400 meters below the seafloor. Diffusion of methane toward the center of the sand layer depends on the concentration gradient within the sand: broader sand pore size distributions with smaller median pore sizes enhance diffusive action toward the sand's center. Incorporating downhole log- and laboratory-derived sand pore size distributions, gas hydrate saturations in the center of the sand can reach 20% of the hydrate saturations at the sand's edges. Furthermore, we show that hydrate-free zones exist immediately above and below the sand and are approximately 5 m thick, depending on the sand-clay solubility contrast. A moving reference frame is also adopted in 2D, and the angle of gravity is rotated relative to the grid system to simulate a dipping sand layer. This is important to minimize diffusive edge effects or numerical diffusion that might be associated with a dipping sand in an Eulerian grid system oriented orthogonal to gravity. Two-dimensional simulations demonstrate the tendency for gas hydrate to accumulate downdip in a sand body because of greater methane transport at depth due to larger sand-clay solubility contrasts. In 3D, basin-scale simulations illuminate how convergent sand layers in a multilayered system can compete for diffusion from clays between them, resulting in relatively low hydrate saturations. All simulations suggest that when hydrate present in clays dissociates with burial, the additional dissolved methane is soaked up by nearby sands preserving high hydrate saturations.

Linking pore-scale and basin-scale effects on diffusive methane transport in hydrate bearing environments through multi-scale reservoir simulations

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

Nole, Michael; Daigle, Hugh; Cook, Ann

We explore the gas hydrate-generating capacity of diffusive methane transport induced by solubility gradients due to pore size contrasts in lithologically heterogeneous marine sediments. Through the use of 1D, 2D, and 3D reactive transport simulations, we investigate scale-dependent processes in diffusion-dominated gas hydrate systems. These simulations all track a sand body, or series of sands, surrounded by clays as they are buried through the gas hydrate stability zone. Methane is sourced by microbial methanogenesis in the clays surrounding the sand layers. In 1D, simulations performed in a Lagrangian reference frame demonstrate that gas hydrate in thin sands (3.6 m thick)more » can occur in high saturations (upward of 70%) at the edges of sand bodies within the upper 400 meters below the seafloor. Diffusion of methane toward the center of the sand layer depends on the concentration gradient within the sand: broader sand pore size distributions with smaller median pore sizes enhance diffusive action toward the sand’s center. Incorporating downhole log- and laboratory-derived sand pore size distributions, gas hydrate saturations in the center of the sand can reach 20% of the hydrate saturations at the sand’s edges. Furthermore, we show that hydrate-free zones exist immediately above and below the sand and are approximately 5 m thick, depending on the sand-clay solubility contrast. A moving reference frame is also adopted in 2D, and the angle of gravity is rotated relative to the grid system to simulate a dipping sand layer. This is important to minimize diffusive edge effects or numerical diffusion that might be associated with a dipping sand in an Eulerian grid system oriented orthogonal to gravity. Two-dimensional simulations demonstrate the tendency for gas hydrate to accumulate downdip in a sand body because of greater methane transport at depth due to larger sand-clay solubility contrasts. In 3D, basin-scale simulations illuminate how convergent sand layers in a multilayered system can compete for diffusion from clays between them, resulting in relatively low hydrate saturations. All simulations suggest that when hydrate present in clays dissociates with burial, the additional dissolved methane is soaked up by nearby sands preserving high hydrate saturations.« less

CMOS-compatible method for doping of buried vertical polysilicon structures by solid phase diffusion

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

Turkulets, Yury; Department of Electrical and Computer Engineering, Ben Gurion University of the Negev, Beer-Sheva 8410501; Silber, Amir

2016-03-28

Polysilicon receives attention nowadays as a means to incorporate 3D-structured photonic devices into silicon processes. However, doping of buried layers of a typical 3D structure has been a challenge. We present a method for doping of buried polysilicon layers by solid phase diffusion. Using an underlying silicon oxide layer as a dopant source facilitates diffusion of dopants into the bottom side of the polysilicon layer. The polysilicon is grown on top of the oxide layer, after the latter has been doped by ion implantation. Post-growth heat treatment drives in the dopant from the oxide into the polysilicon. To model themore » process, we studied the diffusion of the two most common silicon dopants, boron (B) and phosphorus (P), using secondary ion mass spectroscopy profiles. Our results show that shallow concentration profiles can be achieved in a buried polysilicon layer using the proposed technique. We present a quantitative 3D model for the diffusion of B and P in polysilicon, which turns the proposed method into an engineerable technique.« less

Effect of carbon ion irradiation on Ag diffusion in SiC

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

Leng, Bin; Ko, Hyunseok; Gerczak, Tyler J.

Transport of Ag fission product through the silicon-carbide (SiC) diffusion barrier layer in TRISO fuel particles is of considerable interest given the application of this fuel type in high temperature gas-cooled reactor (HTGR) and other future reactor concepts. The reactor experiments indicate that radiation may play an important role in release of Ag; however so far the isolated effect of radiation on Ag diffusion has not been investigated in controlled laboratory experiments. In this study, we investigate the diffusion couples of Ag and polycrystalline 3C–SiC, as well as Ag and single crystalline 4H–SiC samples before and after irradiation with Cmore » 2+ ions. The diffusion couple samples were exposed to temperatures of 1500 °C, 1535 °C, and 1569 °C, and the ensuing diffusion profiles were analyzed by secondary ion mass spectrometry (SIMS). We found that diffusion coefficients calculated from these measurements indicate that Ag diffusion was greatly enhanced by carbon irradiation due to a combined effect of radiation damage on diffusion and the presence of grain boundaries in polycrystalline SiC samples.« less

Effect of carbon ion irradiation on Ag diffusion in SiC

DOE PAGES

Leng, Bin; Ko, Hyunseok; Gerczak, Tyler J.; ...

2015-11-14

Transport of Ag fission product through the silicon-carbide (SiC) diffusion barrier layer in TRISO fuel particles is of considerable interest given the application of this fuel type in high temperature gas-cooled reactor (HTGR) and other future reactor concepts. The reactor experiments indicate that radiation may play an important role in release of Ag; however so far the isolated effect of radiation on Ag diffusion has not been investigated in controlled laboratory experiments. In this study, we investigate the diffusion couples of Ag and polycrystalline 3C–SiC, as well as Ag and single crystalline 4H–SiC samples before and after irradiation with Cmore » 2+ ions. The diffusion couple samples were exposed to temperatures of 1500 °C, 1535 °C, and 1569 °C, and the ensuing diffusion profiles were analyzed by secondary ion mass spectrometry (SIMS). We found that diffusion coefficients calculated from these measurements indicate that Ag diffusion was greatly enhanced by carbon irradiation due to a combined effect of radiation damage on diffusion and the presence of grain boundaries in polycrystalline SiC samples.« less

Water Redistribution, Temperature Change and CO2 Diffusion of Reconstruction Soil Profiles Filled with Gangue in Coal Mining Areas

NASA Astrophysics Data System (ADS)

Wang, S.; Zhan, H.; Chen, X.; Hu, Y.

2017-12-01

There were a great many projects of reconstruction soil profile filled with gangue to restore ecological environment and land resources in coal mining areas. A simulation experimental system in laboratory was designed for studying water transport and gas-heat diffusion of the reconstruction soil as to help the process of engineering and soil-ripening technology application. The system could be used for constantly measuring soil content, temperature and soil CO2 concentration by laid sensors and detectors in different depth of soil column. The results showed that soil water infiltration process was slowed down and the water-holding capacity of the upper soil was increased because of good water resistance from coal gangue layer. However, the water content of coal gangue layer, 10% approximately, was significantly lower than that of topsoil for the poor water-holding capacity of gangue. The temperature of coal gangue layer was also greater than that of soil layer and became easily sustainable temperature gradient under the condition with heating in reconstruction soil due to the higher thermal diffusivity from gangue, especially being plenty of temperature difference between gangue and soil layers. The effects of heated from below on topsoil was small, which it was mainly influenced from indoor temperature in the short run. In addition, the temperature changing curve of topsoil is similar with the temperature of laboratory and its biggest fluctuation range was for 2.89°. The effects of aerating CO2 from column bottom on CO2 concentration of topsoil soil was also very small, because gas transport from coal gangue layers to soil ones would easily be cut off as so to gas accumulated below the soil layer. The coal gangue could have a negative impact on microbial living environment to adjacent topsoil layers and declined microorganism activities. The effects of coal gangue on topsoil layer were brought down when the cove soil thickness was at 60 cm. And the influences gradually would be weakened with the thickness increasing.

1-D DSMC simulation of Io's atmospheric collapse and reformation during and after eclipse

NASA Astrophysics Data System (ADS)

Moore, C. H.; Goldstein, D. B.; Varghese, P. L.; Trafton, L. M.; Stewart, B.

2009-06-01

A one-dimensional Direct Simulation Monte Carlo (DSMC) model is used to examine the effects of a non-condensable species on Io's sulfur dioxide sublimation atmosphere during eclipse and just after egress. Since the vapor pressure of SO 2 is extremely sensitive to temperature, the frost-supported dayside sublimation atmosphere had generally been expected to collapse during eclipse as the surface temperature dropped. For a pure SO 2 atmosphere, however, it was found that during the first 10 min of eclipse, essentially no change in the atmospheric properties occurs at altitudes above ˜100 km due to the finite ballistic/acoustic time. Hence immediately after ingress the auroral emission morphology above 100 km should resemble that of the immediate pre-eclipse state. Furthermore, the collapse dynamics are found to be greatly altered by the presence of even a small amount of a non-condensable species which forms a diffusion layer near the surface that prevents rapid collapse. It is found that after 10 min essentially no collapse has occurred at altitudes above ˜20 km when a nominal mole fraction of non-condensable gas is present. Collapse near the surface occurs relatively quickly until a static diffusion layer many mean free paths thick of the non-condensable gas builds up which then retards further collapse of the SO 2 atmosphere. For example, for an initial surface temperature of 110 K and 35% non-condensable mole-fraction, the ratio of the SO 2 column density to the initial column density was found to be 0.73 after 10 min, 0.50 after 30 min, and 0.18 at the end of eclipse. However, real gas species (SO, O 2) may not be perfectly non-condensable at Io's surface temperatures. If the gas species was even weakly condensable (non-zero sticking/reaction coefficient) then the effect of the diffusion layer on the dynamics was dramatically reduced. In fact, if the sticking coefficient of the non-condensable exceeds ˜0.25, the collapse dynamics are effectively the same as if there were no non-condensable present. This sensitivity results because the loss of non-condensable to the surface reduces the effective diffusion layer size, and the formation of an effective diffusion layer requires that the layer be stationary; this does not occur if the surface is a sink. Upon egress, vertical stratification of the condensable and non-condensable species occurs, with the non-condensable species being lifted (or pushed) to higher altitudes by the sublimating SO 2 after the sublimating atmosphere becomes collisional. Stratification should affect the morphology and intensity of auroral glows shortly after egress.

Diffusion of Chlorinated Organic Contaminants into Aquitards: Enhanced by the Flocculation of Clay?

NASA Astrophysics Data System (ADS)

Ayral, D.; Otero, M.; Demond, A. H.; Goltz, M. N.; Huang, J.

2011-12-01

Waste organic contaminants stored in low permeability subsurface layers serve as long-term sources for dissolved phase contaminant plumes. Current models consider the movement into and out of aquitards or other low permeability layers to occur through transverse diffusion. Yet, field evidence suggests higher transport rates of contaminants than can be accounted for by diffusion alone. Waste organic liquids contain both organic liquid solvents as well as surface-active solutes. Measurements using montmorillonite in contact with pure chlorinated organic liquids such as trichloroethylene (TCE) showed that the basal spacing is similar to the case of montmorillonite in contact with air, thus suggesting that these fluids have similar flocculation effects. On the other hand, the basal spacing increased in contact with aqueous surfactant solutions. Measurements of the basal spacing in contact with a TCE waste gave the same results as with pure TCE, suggesting that effect on basal spacing is dominated by the organic solvent matrix rather than by the surfactant content. Since flocculation can lead to cracking, this behavior suggests that aquitards underlying aquifers contaminated with chlorinated organic wastes may develop cracks, thus enhancing the transport into low permeability layers.

Cathodic electrocatalyst layer for electrochemical generation of hydrogen peroxide

NASA Technical Reports Server (NTRS)

Tennakoon, Charles L. K. (Inventor); Singh, Waheguru Pal (Inventor); Rhodes, Christopher P. (Inventor); Anderson, Kelvin C. (Inventor)

2011-01-01

A cathodic gas diffusion electrode for the electrochemical production of aqueous hydrogen peroxide solutions. The cathodic gas diffusion electrode comprises an electrically conductive gas diffusion substrate and a cathodic electrocatalyst layer supported on the gas diffusion substrate. A novel cathodic electrocatalyst layer comprises a cathodic electrocatalyst, a substantially water-insoluble quaternary ammonium compound, a fluorocarbon polymer hydrophobic agent and binder, and a perfluoronated sulphonic acid polymer. An electrochemical cell using the novel cathodic electrocatalyst layer has been shown to produce an aqueous solution having between 8 and 14 weight percent hydrogen peroxide. Furthermore, such electrochemical cells have shown stable production of hydrogen peroxide solutions over 1000 hours of operation including numerous system shutdowns.

Analysis of Al diffusion processes in TiN barrier layers for the application in silicon solar cell metallization

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

Kumm, J.; Samadi, H.; Chacko, R. V.

An evaporated Al layer is known as an excellent rear metallization for highly efficient solar cells, but suffers from incompatibility with a common solder process. To enable solar cell-interconnection and module integration, in this work the Al layer is complemented with a solder stack of TiN/Ti/Ag or TiN/NiV/Ag, in which the TiN layer acts as an Al diffusion barrier. X-ray photoelectron spectroscopy measurements prove that diffusion of Al through the stack and the formation of an Al{sub 2}O{sub 3} layer on the stack's surface are responsible for a loss of solderability after a strong post-metallization anneal, which is often mandatorymore » to improve contact resistance and passivation quality. An optimization of the reactive TiN sputter process results in a densification of the TiN layer, which improves its barrier quality against Al diffusion. However, measurements with X-ray diffraction and scanning electron microscopy show that small grains with vertical grain boundaries persist, which still offer fast diffusion paths. Therefore, the concept of stuffing is introduced. By incorporating oxygen into the grain boundaries of the sputtered TiN layer, Al diffusion is strongly reduced as confirmed by secondary ion mass spectroscopy profiles. A quantitative analysis reveals a one order of magnitude lower Al diffusion coefficient for stuffed TiN layers. This metallization system maintains its solderability even after strong post-metallization annealing at 425 °C for 15 min. This paper thus presents an industrially feasible, conventionally solderable, and long-term stable metallization scheme for highly efficient silicon solar cells.« less

Electrochemical deposition of layered copper thin films based on the diffusion limited aggregation

PubMed Central

Wei, Chenhuinan; Wu, Guoxing; Yang, Sanjun; Liu, Qiming

2016-01-01

In this work layered copper films with smooth surface were successfully fabricated onto ITO substrate by electrochemical deposition (ECD) and the thickness of the films was nearly 60 nm. The resulting films were characterized by SEM, TEM, AFM, XPS, and XRD. We have investigated the effects of potential and the concentration of additives and found that 2D dendritic-like growth process leaded the formation of films. A suitable growth mechanism based on diffusion limited aggregation (DLA) mechanism for the copper films formation is presented, which are meaningful for further designing homogeneous and functional films. PMID:27734900

Implementation of a diffusion convection surface evolution model in WallDYN

NASA Astrophysics Data System (ADS)

Schmid, K.

2013-07-01

In thermonuclear fusion experiments with multiple plasma facing materials the formation of mixed materials is inevitable. The formation of these mixed material layers is a dynamic process driven the tight interaction between transport in the plasma scrape off layer and erosion/(re-) deposition at the surface. To track this global material erosion/deposition balance and the resulting formation of mixed material layers the WallDYN code has been developed which couples surface processes and plasma transport. The current surface model in WallDYN cannot fully handle the growth of layers nor does it include diffusion. However at elevated temperatures diffusion is a key process in the formation of mixed materials. To remedy this shortcoming a new surface model has been developed which, for the first time, describes both layer growth/recession and diffusion in a single continuous diffusion/convection equation. The paper will detail the derivation of the new surface model and compare it to TRIDYN calculations.

Modeling the Gas Nitriding Process of Low Alloy Steels

NASA Astrophysics Data System (ADS)

Yang, M.; Zimmerman, C.; Donahue, D.; Sisson, R. D.

2013-07-01

The effort to simulate the nitriding process has been ongoing for the last 20 years. Most of the work has been done to simulate the nitriding process of pure iron. In the present work a series of experiments have been done to understand the effects of the nitriding process parameters such as the nitriding potential, temperature, and time as well as surface condition on the gas nitriding process for the steels. The compound layer growth model has been developed to simulate the nitriding process of AISI 4140 steel. In this paper the fundamentals of the model are presented and discussed including the kinetics of compound layer growth and the determination of the nitrogen diffusivity in the diffusion zone. The excellent agreements have been achieved for both as-washed and pre-oxided nitrided AISI 4140 between the experimental data and simulation results. The nitrogen diffusivity in the diffusion zone is determined to be constant and only depends on the nitriding temperature, which is ~5 × 10-9 cm2/s at 548 °C. It proves the concept of utilizing the compound layer growth model in other steels. The nitriding process of various steels can thus be modeled and predicted in the future.

Deuterium transport in Cu, CuCrZr, and Cu/Be

NASA Astrophysics Data System (ADS)

Anderl, R. A.; Hankins, M. R.; Longhurst, G. R.; Pawelko, R. J.

This paper presents the results of deuterium implantation/permeation experiments and TMAP4 simulations for a CuCrZr alloy, for OFHC-Cu and for a Cu/Be bi-layered structure at temperatures from 700 to 800 K. Experiments used a mass-analyzed, 3-keV D 3+ ion beam with particle flux densities of 5 × 10 19 to 7 × 10 19 D/m 2 s. Effective diffusivities and surface molecular recombination coefficients were derived giving Arrhenius pre-exponentials and activation energies for each material: CuCrZr alloy, (2.0 × 10 -2 m 2/s, 1.2 eV) for diffusivity and (2.9 × x10 -14 m 4/s, 1.92 eV) for surface molecular recombination coefficients; OFHC Cu, (2.1 × 10 -6 m 2/s, 0.52 eV) for diffusivity and (9.1 × 10 -18 m 4/s, 0.99 eV) for surface molecular recombination coefficients. TMAP4 simulation of permeation data measured for a Cu/Be bi-layer sample was achieved using a four-layer structure (Cu/BeO interface/Be/BeO back surface) and recommended values for diffusivity and solubility in Be, BeO and Cu.

Study of corrosion-related defects of zirconium alloys with slow positron beam

NASA Astrophysics Data System (ADS)

Zhu, Zhejie; Yao, Meiyi; Shi, Jianjian; Yao, Chunlong; Lu, Eryang; Cao, Xingzhong; Wang, Baoyi; Wu, Yichu

2018-09-01

The corrosion behavior of Zr-4 and N5 alloy specimens corroded in 0.01 mol/L LiOH aqueous solution at 360 °C/18.6 MPa and in super heated steam at 400 °C/10.3 MPa for 1, 3 and 14 days were investigated by slow positron beam based Doppler broadening spectroscopy. Results showed that there was an evident interfacial layer with pre-existed vacancies and voids in uncorroded Zr-4 specimens, while in uncorroded N5 specimen, the interfacial defect layer can not be identified or a thin interfacial layer was only contained. When the specimens were corroded in super heated steam at 400 °C/10.3 MPa for a few days, the existence of the interface layer in the Zr-4 specimen would delay the diffusion rate of the oxygen atoms and decelerated the oxidation rate of the corrosion process. However, at very early stage of the corrosion, as Zr-4 and N5 specimens were corrded in 0.01 mol/L LiOH aqueous solution at 360 °C/18.6 MPa, the effect of Li+ accelerated the diffusion rate of the oxygen atoms, while the effect of the interface defect layer became a minor effect.

Optimal resource diffusion for suppressing disease spreading in multiplex networks

NASA Astrophysics Data System (ADS)

Chen, Xiaolong; Wang, Wei; Cai, Shimin; Stanley, H. Eugene; Braunstein, Lidia A.

2018-05-01

Resource diffusion is a ubiquitous phenomenon, but how it impacts epidemic spreading has received little study. We propose a model that couples epidemic spreading and resource diffusion in multiplex networks. The spread of disease in a physical contact layer and the recovery of the infected nodes are both strongly dependent upon resources supplied by their counterparts in the social layer. The generation and diffusion of resources in the social layer are in turn strongly dependent upon the state of the nodes in the physical contact layer. Resources diffuse preferentially or randomly in this model. To quantify the degree of preferential diffusion, a bias parameter that controls the resource diffusion is proposed. We conduct extensive simulations and find that the preferential resource diffusion can change phase transition type of the fraction of infected nodes. When the degree of interlayer correlation is below a critical value, increasing the bias parameter changes the phase transition from double continuous to single continuous. When the degree of interlayer correlation is above a critical value, the phase transition changes from multiple continuous to first discontinuous and then to hybrid. We find hysteresis loops in the phase transition. We also find that there is an optimal resource strategy at each fixed degree of interlayer correlation under which the threshold reaches a maximum and the disease can be maximally suppressed. In addition, the optimal controlling parameter increases as the degree of inter-layer correlation increases.

Model for the interpretation of nuclear magnetic resonance relaxometry of hydrated porous silicate materials

NASA Astrophysics Data System (ADS)

Faux, D. A.; Cachia, S.-H. P.; McDonald, P. J.; Bhatt, J. S.; Howlett, N. C.; Churakov, S. V.

2015-03-01

Nuclear magnetic resonance (NMR) relaxation experimentation is an effective technique for probing the dynamics of proton spins in porous media, but interpretation requires the application of appropriate spin-diffusion models. Molecular dynamics (MD) simulations of porous silicate-based systems containing a quasi-two-dimensional water-filled pore are presented. The MD simulations suggest that the residency time of the water on the pore surface is in the range 0.03-12 ns, typically 2-5 orders of magnitude less than values determined from fits to experimental NMR measurements using the established surface-layer (SL) diffusion models of Korb and co-workers [Phys. Rev. E 56, 1934 (1997), 10.1103/PhysRevE.56.1934]. Instead, MD identifies four distinct water layers in a tobermorite-based pore containing surface Ca2 + ions. Three highly structured water layers exist within 1 nm of the surface and the central region of the pore contains a homogeneous region of bulklike water. These regions are referred to as layer 1 and 2 (L1, L2), transition layer (TL), and bulk (B), respectively. Guided by the MD simulations, a two-layer (2L) spin-diffusion NMR relaxation model is proposed comprising two two-dimensional layers of slow- and fast-moving water associated with L2 and layers TL+B, respectively. The 2L model provides an improved fit to NMR relaxation times obtained from cementitious material compared to the SL model, yields diffusion correlation times in the range 18-75 ns and 28-40 ps in good agreement with MD, and resolves the surface residency time discrepancy. The 2L model, coupled with NMR relaxation experimentation, provides a simple yet powerful method of characterizing the dynamical properties of proton-bearing porous silicate-based systems such as porous glasses, cementitious materials, and oil-bearing rocks.

Diffusion at the boundary between the film and substrate upon the electrocrystallization of zinc on a copper substrate

NASA Astrophysics Data System (ADS)

Shtapenko, E. Ph.; Zabludovsky, V. A.; Dudkina, V. V.

2015-03-01

In this paper, we present the results of experimental investigations of the diffusion layer formed at the film-substrate interface upon the electrodeposition of zinc films on a copper substrate. The investigations have shown that, in the transient layer, the deposited metal is diffused into the material of the substrate. The depth of the diffusion layer and, consequently, the concentrations of the incorporated zinc atoms depend strongly on the conditions of electrocrystallization, which vary from 1.5 μm when using direct current to 4 μm when using direct current in combination with laser-stimulated deposition (LSD). The X-ray diffraction investigations of the transient layer at the film-substrate interface have shown that, upon electrocrystallization using pulsed current in rigid regimes with the application of the LSD, a CuZn2 phase is formed in the diffusion layer. This indicates that the diffusion of zinc into copper occurs via two mechanisms, i.e., grainboundary and bulk. The obtained values of the coefficient of diffusion of zinc adatoms in polycrystalline copper are equal to 1.75 × 10-15 m2/s when using direct current and 1.74 × 10-13 m2/s when using LSD.

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

Ghosh, Soumya; Soudackov, Alexander V.; Hammes-Schiffer, Sharon

Electron transfer and proton coupled electron transfer (PCET) reactions at electrochemical interfaces play an essential role in a broad range of energy conversion processes. The reorganization energy, which is a measure of the free energy change associated with solute and solvent rearrangements, is a key quantity for calculating rate constants for these reactions. We present a computational method for including the effects of the double layer and ionic environment of the diffuse layer in calculations of electrochemical solvent reorganization energies. This approach incorporates an accurate electronic charge distribution of the solute within a molecular-shaped cavity in conjunction with a dielectricmore » continuum treatment of the solvent, ions, and electrode using the integral equations formalism polarizable continuum model. The molecule-solvent boundary is treated explicitly, but the effects of the electrode-double layer and double layer-diffuse layer boundaries, as well as the effects of the ionic strength of the solvent, are included through an external Green’s function. The calculated total reorganization energies agree well with experimentally measured values for a series of electrochemical systems, and the effects of including both the double layer and ionic environment are found to be very small. This general approach was also extended to electrochemical PCET and produced total reorganization energies in close agreement with experimental values for two experimentally studied PCET systems. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center, funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences.« less

Analytical Study of Gravity Effects on Laminar Diffusion Flames

NASA Technical Reports Server (NTRS)

Edelman, R. B.; Fortune, O.; Weilerstein, G.

1972-01-01

A mathematical model is presented for the description of axisymmetric laminar-jet diffusion flames. The analysis includes the effects of inertia, viscosity, diffusion, gravity and combustion. These mechanisms are coupled in a boundary layer type formulation and solutions are obtained by an explicit finite difference technique. A dimensional analysis shows that the maximum flame width radius, velocity and thermodynamic state characterize the flame structure. Comparisons with experimental data showed excellent agreement for normal gravity flames and fair agreement for steady state low Reynolds number zero gravity flames. Kinetics effects and radiation are shown to be the primary mechanisms responsible for this discrepancy. Additional factors are discussed including elipticity and transient effects.

Dynamical processes and epidemic threshold on nonlinear coupled multiplex networks

NASA Astrophysics Data System (ADS)

Gao, Chao; Tang, Shaoting; Li, Weihua; Yang, Yaqian; Zheng, Zhiming

2018-04-01

Recently, the interplay between epidemic spreading and awareness diffusion has aroused the interest of many researchers, who have studied models mainly based on linear coupling relations between information and epidemic layers. However, in real-world networks the relation between two layers may be closely correlated with the property of individual nodes and exhibits nonlinear dynamical features. Here we propose a nonlinear coupled information-epidemic model (I-E model) and present a comprehensive analysis in a more generalized scenario where the upload rate differs from node to node, deletion rate varies between susceptible and infected states, and infection rate changes between unaware and aware states. In particular, we develop a theoretical framework of the intra- and inter-layer dynamical processes with a microscopic Markov chain approach (MMCA), and derive an analytic epidemic threshold. Our results suggest that the change of upload and deletion rate has little effect on the diffusion dynamics in the epidemic layer.

The Dynamics of Controlled Flow Separation within a Diverter Duct Diffuser

NASA Astrophysics Data System (ADS)

Peterson, C. J.; Vukasinovic, B.; Glezer, A.

2016-11-01

The evolution and receptivity to fluidic actuation of the flow separation within a rectangular, constant-width, diffuser that is branched off of a primary channel is investigated experimentally at speeds up to M = 0.4. The coupling between the diffuser's adverse pressure gradient and the internal separation that constricts nearly half of the flow passage through the duct is controlled using a spanwise array of fluidic actuators on the surface upstream of the diffuser's inlet plane. The dynamics of the separating surface vorticity layer in the absence and presence of actuation are investigated using high-speed particle image velocimetry combined with surface pressure measurements and total pressure distributions at the primary channel's exit plane. It is shown that the actuation significantly alters the incipient dynamics of the separating vorticity layer as the characteristic cross stream scales of the boundary layer upstream of separation and of the ensuing vorticity concentrations within the separated flow increase progressively with actuation level. It is argued that the dissipative (high frequency) actuation alters the balance between large- and small-scale motions near separation by intensifying the large-scale motions and limiting the small-scale dynamics. Controlling separation within the diffuser duct also has a profound effect on the global flow. In the presence of actuation, the mass flow rate in the primary duct increases 10% while the fraction of the diverted mass flow rate in the diffuser increases by more than 45% at 0.7% actuation mass fraction. Supported by the Boeing Company.

Molecular simulation of structure and diffusion at smectite-water interfaces: Using expanded clay interlayers as model nanopores

DOE PAGES

Greathouse, Jeffery A.; Hart, David; Bowers, Geoffrey M.; ...

2015-07-20

In geologic settings relevant to a number of extraction and potential sequestration processes, nanopores bounded by clay mineral surfaces play a critical role in the transport of aqueous species. Solution structure and dynamics at clay–water interfaces are quite different from their bulk values, and the spatial extent of this disruption remains a topic of current interest. We have used molecular dynamics simulations to investigate the structure and diffusion of aqueous solutions in clay nanopores approximately 6 nm thick, comparing the effect of clay composition with model Na-hectorite and Na-montmorillonite surfaces. In addition to structural properties at the interface, water andmore » ion diffusion coefficients were calculated within each aqueous layer at the interface, as well as in the central bulk-like region of the nanopore. The results show similar solution structure and diffusion properties at each surface, with subtle differences in sodium adsorption complexes and water structure in the first adsorbed layer due to different arrangements of layer hydroxyl groups in the two clay models. Interestingly, the extent of surface disruption on bulk-like solution structure and diffusion extends to only a few water layers. Additionally, a comparison of sodium ion residence times confirms similar behavior of inner-sphere and outer-sphere surface complexes at each clay surface, but ~1% of sodium ions adsorb in ditrigonal cavities on the hectorite surface. Thus, the presence of these anhydrous ions is consistent with highly immobile anhydrous ions seen in previous nuclear magnetic resonance spectroscopic measurements of hectorite pastes.« less

An evaluation of ferrihydrite- and Metsorb™-DGT techniques for measuring oxyanion species (As, Se, V, P): effective capacity, competition and diffusion coefficients.

PubMed

Price, Helen L; Teasdale, Peter R; Jolley, Dianne F

2013-11-25

This study investigated several knowledge gaps with respect to the diffusive gradients in thin films (DGT) technique for measurement of oxyanions (As(III), As(V), Se(IV), Se(VI), PO4(3-), and V(V)) using the ferrihydrite and Metsorb™ binding layers. Elution efficiencies for each binding layer were higher with 1:20 dilutions, as analytical interferences for ICP-MS were minimised. Diffusion coefficients measured by diffusion cell and by DGT time-series experiments were found to agree well and generally agreed with previously reported values, although a range of diffusion coefficients have been reported for inorganic As and Se species. The relative binding affinity for both ferrihydrite and Metsorb™ was PO4(3-) ≈ As(V)>V(V) ≈ As(III)>Se(IV) > Se(VI) and effective binding capacities were measured in single ion solutions, and spiked synthetic freshwater and seawater, advising practical decisions about DGT monitoring. Under the conditions tested the performance of both ferrihydrite and Metsorb™ binding layers was directly comparable for As(V), As(III) Se(IV), V(V) and PO4(3-) over a deployment spanning ≤ 2 days for both freshwater and seawater. In order to return quantitative data for several analytes we recommend that the DGT method using either ferrihydrite or Metsorb™ be deployed for a maximum of 2 days in marine waters likely to contain high levels of the most strongly adsorbing oxyanions contaminants. The high pH, the competitive ions present in seawater and the identity of co-adsorbing ions affect the capacity of each binding layer for the analytes of interest. In freshwaters, longer deployment times can be considered but the concentration and identity of co-adsorbing ions may impact on quantitative uptake of Se(IV). This study found ferrihydrite-DGT outperformed Metsorb-DGT while previous studies have found the opposite, with variation in binding materials masses used being a likely reason. Clearly, preparation of both binding layers should always be optimised to produce the highest capacity possible, especially for seawater deployments. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

Pure silver ohmic contacts to N- and P- type gallium arsenide materials

DOEpatents

Hogan, Stephen J.

1986-01-01

Disclosed is an improved process for manufacturing gallium arsenide semiconductor devices having as its components an n-type gallium arsenide substrate layer and a p-type gallium arsenide diffused layer. The improved process comprises forming a pure silver ohmic contact to both the diffused layer and the substrate layer, wherein the n-type layer comprises a substantially low doping carrier concentration.

Scanning tunneling spectroscopy study of the proximity effect in a disordered two-dimensional metal.

PubMed

Serrier-Garcia, L; Cuevas, J C; Cren, T; Brun, C; Cherkez, V; Debontridder, F; Fokin, D; Bergeret, F S; Roditchev, D

2013-04-12

The proximity effect between a superconductor and a highly diffusive two-dimensional metal is revealed in a scanning tunneling spectroscopy experiment. The in situ elaborated samples consist of superconducting single crystalline Pb islands interconnected by a nonsuperconducting atomically thin disordered Pb wetting layer. In the vicinity of each superconducting island the wetting layer acquires specific tunneling characteristics which reflect the interplay between the proximity-induced superconductivity and the inherent electron correlations of this ultimate diffusive two-dimensional metal. The observed spatial evolution of the tunneling spectra is accounted for theoretically by combining the Usadel equations with the theory of dynamical Coulomb blockade; the relevant length and energy scales are extracted and found in agreement with available experimental data.

The effects of vortex structure and vortex translation on the tropical cyclone boundary layer wind field

NASA Astrophysics Data System (ADS)

Williams, Gabriel J.

2015-03-01

The effects of vortex translation and radial vortex structure in the distribution of boundary layer winds in the inner core of mature tropical cyclones are examined using a high-resolution slab model and a multilevel model. It is shown that the structure and magnitude of the wind field (and the corresponding secondary circulation) depends sensitively on the radial gradient of the gradient wind field above the boundary layer. Furthermore, it is shown that vortex translation creates low wave number asymmetries in the wind field that rotate anticyclonically with height. A budget analysis of the steady state wind field for both models was also performed in this study. Although the agradient force drives the evolution of the boundary layer wind field for both models, it is shown that the manner in which the boundary layer flow responds to this force differs between the two model representations. In particular, the inner core boundary layer flow in the slab model is dominated by the effects of horizontal advection and horizontal diffusion, leading to the development of shock structures in the model. Conversely, the inner core boundary layer flow in the multilevel model is primarily influenced by the effects of vertical advection and vertical diffusion, which eliminates shock structures in this model. These results further indicate that special care is required to ensure that qualitative applications from slab models are not unduly affected by the neglect of vertical advection. This article was corrected on 31 MAR 2015. See the end of the full text for details.

Molecular dynamics simulation of the diffusion of uranium species in clay pores.

PubMed

Liu, Xiao-yu; Wang, Lu-hua; Zheng, Zhong; Kang, Ming-liang; Li, Chun; Liu, Chun-li

2013-01-15

Molecular dynamics simulations were carried out to investigate the diffusive behavior of aqueous uranium species in montmorillonite pores. Three uranium species (UO(2)(2+), UO(2)CO(3), UO(2)(CO(3))(2)(2-)) were confirmed in both the adsorbed and diffuse layers. UO(2)(CO(3))(3)(4-) was neglected in the subsequent analysis due to its scare occurrence. The species-based diffusion coefficients in montmorillonite pores were then calculated, and compared with the water mobility and their diffusivity in aqueous solution/feldspar nanosized fractures. Three factors were considered that affected the diffusive behavior of the uranium species: the mobility of water, the self-diffusion coefficient of the aqueous species, and the electrostatic forces between the negatively charged surface and charged molecules. The mobility of U species in the adsorbed layer decreased in the following sequence: UO(2)(2+)>UO(2)CO(3)>UO(2)(CO(3))(2)(2-). In the diffuse layer, we obtained the highest diffusion coefficient for UO(2)(CO(3))(2)(2-) with the value of 5.48×10(-10) m(2) s(-1), which was faster than UO(2)(2+). For these two charged species, the influence of electrostatic forces on the diffusion of solutes in the diffuse layer is overwhelming, whereas the influence of self-diffusion and water mobility is minor. Our study demonstrated that the negatively charged uranyl carbonate complex must be addressed in the safety assessment of potential radioactive waste disposal systems. Copyright © 2012 Elsevier B.V. All rights reserved.

Effect of dead layer and strain on diffuse phase transition of PLZT relaxor thin films.

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

Tong, S.; Narayanan, M.; Ma, B.

2011-02-01

Bulk relaxor ferroelectrics exhibit excellent permittivity compared to their thin film counterpart, although both show diffuse phase transition (DPT) behavior unlike normal ferroelectrics. To better understand the effect of dead layer and strain on the observed anomaly in the dielectric properties, we have developed relaxor PLZT (lead lanthanum zirconate titanate) thin films with different thicknesses and measured their dielectric properties as a function of temperature and frequency. The effect of dead layer on thin film permittivity has been found to be independent of temperature and frequency, and is governed by the Schottky barrier between the platinum electrode and PLZT. Themore » total strain (thermal and intrinsic) in the film majorly determines the broadening, dielectric peak and temperature shift in the relaxor ferroelectric. The Curie-Weiss type law for relaxors has been further modified to incorporate these two effects to accurately predict the DPT behavior of thin film and bulk relaxor ferroelectrics. The dielectric behavior of thin film is predicted by using the bulk dielectric data from literature in the proposed equation, which agree well with the measured dielectric behavior.« 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.

A steadying effect of acoustic excitation on transitory stall

NASA Technical Reports Server (NTRS)

Zaman, K. B. M. Q.

1991-01-01

The effect of acoustic excitation on a class of separated flows with a transitional boundary layer at the point of separation is considered. Experimental results on the flow over airfoils, a two-dimensional backward-facing step, and through large angle conical diffusers are presented. In all cases, the separated flow undergoes large amplitude fluctuations, much of the energy being concentrated at unusually low frequencies. In each case, an appropriate high frequency acoustic excitation is found to be effective in reducing the fluctuations substantially. The effective excitation frequency scales on the initial boundary layer thickness and the effect is apparently achieved through acoustic tripping of the separating boundary layer.

Anomalous plasma diffusion and the magnetopause boundary layer

NASA Technical Reports Server (NTRS)

Treumann, Rudolf A.; Labelle, James; Haerendel, Gerhard; Pottelette, Raymond

1992-01-01

An overview of the current state of anomalous diffusion research at the magnetopause and its role in the formation of the magnetopause boundary layer is presented. Plasma wave measurements in the boundary layer indicate that most of the relevant unstable wave modes contribute negligibly to the diffusion process at the magnetopause under magnetically undisturbed northward IMF conditions. The most promising instability is the lower hybrid drift instability, which may yield diffusion coefficients of the right order if the highest measured wave intensities are assumed. It is concluded that global stationary diffusion due to wave-particle interactions does not take place at the magnetopause. Microscopic wave-particle interaction and anomalous diffusion may contribute to locally break the MD frozen-in conditions and help in transporting large amounts of magnetosheath plasma across the magnetospheric boundary.

Vertical distribution and composition of phytoplankton under the influence of an upper mixed layer.

PubMed

Ryabov, Alexei B; Rudolf, Lars; Blasius, Bernd

2010-03-07

The vertical distribution of phytoplankton is of fundamental importance for the dynamics and structure of aquatic communities. Here, using an advection-reaction-diffusion model, we investigate the distribution and competition of phytoplankton species in a water column, in which inverse resource gradients of light and a nutrient can limit growth of the biomass. This problem poses a challenge for ecologists, as the location of a production layer is not fixed, but rather depends on many internal parameters and environmental factors. In particular, we study the influence of an upper mixed layer (UML) in this system and show that it leads to a variety of dynamic effects: (i) Our model predicts alternative density profiles with a maximum of biomass either within or below the UML, thereby the system may be bistable or the relaxation from an unstable state may require a long-lasting transition. (ii) Reduced mixing in the deep layer can induce oscillations of the biomass; we show that a UML can sustain these oscillations even if the diffusivity is less than the critical mixing for a sinking phytoplankton population. (iii) A UML can strongly modify the outcome of competition between different phytoplankton species, yielding bistability both in the spatial distribution and in the species composition. (iv) A light limited species can obtain a competitive advantage if the diffusivity in the deep layers is reduced below a critical value. This yields a subtle competitive exclusion effect, where the oscillatory states in the deep layers are displaced by steady solutions in the UML. Finally, we present a novel graphical approach for deducing the competition outcome and for the analysis of the role of a UML in aquatic systems. 2009 Elsevier Ltd. All rights reserved.

Effects of heat treatment on U-Mo fuel foils with a zirconium diffusion barrier

NASA Astrophysics Data System (ADS)

Jue, Jan-Fong; Trowbridge, Tammy L.; Breckenridge, Cynthia R.; Moore, Glenn A.; Meyer, Mitchell K.; Keiser, Dennis D.

2015-05-01

A monolith fuel design based on U-Mo alloy has been selected as the fuel type for conversion of the United States' high performance research reactors (HPRRs) from highly enriched uranium (HEU) to low-enriched uranium (LEU). In this fuel design, a thin layer of zirconium is used to eliminate the direct interaction between the U-Mo fuel meat and the aluminum-alloy cladding during irradiation. The co-rolling process used to bond the Zr barrier layer to the U-Mo foil during fabrication alters the microstructure of both the U-10Mo fuel meat and the U-Mo/Zr interface. This work studied the effects of post-rolling annealing treatment on the microstructure of the co-rolled U-Mo fuel meat and the U-Mo/Zr interaction layer. Microscopic characterization shows that the grain size of U-Mo fuel meat increases with the annealing temperature, as expected. The grain sizes were ∼9, ∼13, and ∼20 μm for annealing temperature of 650, 750, and 850 °C, respectively. No abnormal grain growth was observed. The U-Mo/Zr interaction-layer thickness increased with the annealing temperature with an Arrhenius constant for growth of 184 kJ/mole, consistent with a previous diffusion-couple study. The interaction layer thickness was 3.2 ± 0.5 μm, 11.1 ± 2.1 μm, 27.1 ± 0.9 μm for annealing temperature of 650, 750, to 850 °C, respectively. The homogeneity of Mo improves with post rolling annealing temperature and with U-Mo coupon homogenization. The phases in the Zr/U-Mo interaction layer produced by co-rolling, however, differ from those reported in the previous diffusion couple studies.

Effects of heat treatment on U–Mo fuel foils with a zirconium diffusion barrier

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

Jue, Jan-Fong; Trowbridge, Tammy L.; Breckenridge, Cynthia R.

A monolith fuel design based on U–Mo alloy has been selected as the fuel type for conversion of the United States’ high performance research reactors (HPRRs) from highly enriched uranium (HEU) to low-enriched uranium (LEU). In this fuel design, a thin layer of zirconium is used to eliminate the direct interaction between the U–Mo fuel meat and the aluminum-alloy cladding during irradiation. The co-rolling process used to bond the Zr barrier layer to the U–Mo foil during fabrication alters the microstructure of both the U–10Mo fuel meat and the U–Mo/Zr interface. This work studied the effects of post-rolling annealing treatmentmore » on the microstructure of the co-rolled U–Mo fuel meat and the U–Mo/Zr interaction layer. Microscopic characterization shows that the grain size of U–Mo fuel meat increases with the annealing temperature, as expected. The grain sizes were ~9, ~13, and ~20 μm for annealing temperature of 650, 750, and 850 °C, respectively. No abnormal grain growth was observed. The U–Mo/Zr interaction-layer thickness increased with the annealing temperature with an Arrhenius constant for growth of 184 kJ/mole, consistent with a previous diffusion-couple study. The interaction layer thickness was 3.2 ± 0.5 μm, 11.1 ± 2.1 μm, 27.1 ± 0.9 μm for annealing temperature of 650, 750, to 850 °C, respectively. The homogeneity of Mo improves with post rolling annealing temperature and with U–Mo coupon homogenization. The phases in the Zr/U–Mo interaction layer produced by co-rolling, however, differ from those reported in the previous diffusion couple studies.« less

Stochastic theory of photon flow in homogeneous and heterogeneous anisotropic biological and artificial material

NASA Astrophysics Data System (ADS)

Miller, Steven D.

1995-05-01

Standard Monte Carlo methods used in photon diffusion score absorbed photons or statistical weight deposited within voxels comprising a mesh. An alternative approach to a stochastic description is considered for rapid surface flux calculations and finite medias. Matrix elements are assigned to a spatial lattice whose function is to score vector intersections of scattered photons making transitions into either the forward or back solid angle half spaces. These complete matrix elements can be related to the directional fluxes within the lattice space. This model differentiates between ballistic, quasi-ballistic, and highly diffuse photon contributions, and effectively models the subsurface generation of a scattered light flux from a ballistic source. The connection between a path integral and diffusion is illustrated. Flux perturbations can be effectively illustrated for tissue-tumor-tissue and for 3 layer systems with strong absorption in one or more layers. For conditions where the diffusion theory has difficulties such as strong absorption, highly collimated sources, small finite volumes, and subsurface regions, the computation time of the algorithm is rapid with good accuracy and compliments other description of photon diffusion. The model has the potential to do computations relevant to photodynamic therapy (PDT) and analysis of laser beam interaction with tissues.

Kinetic Investigation and Wear Properties of Fe2B Layers on AISI 12L14 Steel

NASA Astrophysics Data System (ADS)

Keddam, M.; Ortiz-Dominguez, M.; Elias-Espinosa, M.; Arenas-Flores, A.; Zuno-Silva, J.; Zamarripa-Zepeda, D.; Gomez-Vargas, O. A.

2018-03-01

In the current study, the powder-pack boriding was applied to the AISI 12L14 steel in the temperature range 1123 K to 1273 K for an exposure time between 2 and 8 hours. The produced boride layer was composed of Fe2B with a sawtooth morphology. A diffusion model based on the integral method was applied to investigate the growth kinetics of Fe2B layers. As a main result, the boron diffusion coefficients in Fe2B were estimated by considering the principle of mass balance at the (Fe2B/substrate) interface with an inclusion of boride incubation times. The value of activation energy for boron diffusion in AISI 12L14 steel was estimated as 165 kJ mol-1 and compared with other values of activation energy found in the literature. An experimental validation of the present model was made by using four different boriding conditions. Furthermore, the Rockwell-C adhesion test was employed to assess the cohesion of boride layers to the base metal. The scratch and pin-on-disc tests were also carried out to analyze the effect of boriding on wear behavior of AISI 12L14 steel.

Excess oxygen limited diffusion and precipitation of iron in amorphous silicon dioxide

NASA Astrophysics Data System (ADS)

Leveneur, J.; Langlois, M.; Kennedy, J.; Metson, James B.

2017-10-01

In micro- and nano- electronic device fabrication, and particularly 3D designs, the diffusion of a metal into sublayers during annealing needs to be minimized as it is usually detrimental to device performance. Diffusion also causes the formation and growth of nanoprecipitates in solid matrices. In this paper, the diffusion behavior of low energy, low fluence, ion implanted iron into a thermally grown silicon oxide layer on silicon is investigated. Different ion beam analysis and imaging techniques were used. Magnetization measurements were also undertaken to provide evidence of nanocrystalline ordering. While standard vacuum furnace annealing and electron beam annealing lead to fast diffusion of the implanted species towards the Si/SiO2 interface, we show that furnace annealing in an oxygen rich atmosphere prevents the diffusion of iron that, in turn, limits the growth of the nanoparticles. The diffusion and particle growth is also greatly reduced when oxygen atoms are implanted in the SiO2 prior to Fe implantation, effectively acting as a diffusion barrier. The excess oxygen is hypothesized to trap Fe atoms and reduce their mean free path during the diffusion. Monte-Carlo simulations of the diffusion process which consider the random walk of Fe, Fick's diffusion of O atoms, Fe precipitation, and desorption of the SiO2 layer under the electron beam annealing were performed. Simulation results for the three preparation conditions are found in good agreement with the experimental data.

Enhanced Diffusion of Chlorinated Organic Compounds into Aquitards due to Cracking

NASA Astrophysics Data System (ADS)

Ayral, D.; Otero, M.; Chung, S.; Goltz, M. N.; Huang, J.; Demond, A. H.

2012-12-01

Despite great efforts, remediation of sites contaminated with dense non-aqueous phase liquids (DNAPLs) is very challenging because, even at residual saturations, DNAPLs can act as a long-term source for a dissolved phase contaminant plume. Current models consider the possibility of diffusion and storage of these compounds in unfractured low permeability layers. However, there is a need to consider the impact of cracks, whether naturally occurring or induced by the interaction between low permeable layers and DNAPLs. To evaluate the impact on diffusive fluxes, diffusion coefficients were measured in low permeability materials representative of aquitards at steady-state using the time-lag method. The experimental setup comprised silty soil, packed into a retaining ring, sandwiched in between two reservoirs. The analytical solution for the time-lag method requires constant conditions in the upper and lower reservoirs. The lower reservoir contained pure trichloroethylene (TCE), while the upper reservoir was maintained at a concentration of zero by bubbling air through it, sweeping TCE into toluene trap. In order to predict the flux, the experimental effective diffusion coefficients were used to calculate the flux through uncracked matrix whereas bulk diffusion coefficient was used to calculate flux through the cracks. By using the experimentally-obtained diffusion coefficients and experimentally-measured crack intensity factors (the ratio of the area of cracks to the uncracked area), the total flux was estimated over extended time periods. These calculations, based on experimental data, were used to evaluate if diffusive-based fluxes in the presence of cracks were significantly greater than in the case of diffusion into an uncracked matrix. The enhanced diffusive fluxes were evaluated to determine whether there is the potential for significantly greater storage in the low permeable layers in the case of cracks, or whether the possibility of advective fluxes into the cracks needs to be considered as well.

Effect of stratum corneum heterogeneity, anisotropy, asymmetry and follicular pathway on transdermal penetration.

PubMed

Barbero, Ana M; Frasch, H Frederick

2017-08-28

The impact of the complex structure of the stratum corneum on transdermal penetration is not yet fully described by existing models. A quantitative and thorough study of skin permeation is essential for chemical exposure assessment and transdermal delivery of drugs. The objective of this study is to analyze the effects of heterogeneity, anisotropy, asymmetry, follicular diffusion, and location of the main barrier of diffusion on percutaneous permeation. In the current study, the solution of the transient diffusion through a two-dimensional-anisotropic brick-and-mortar geometry of the stratum corneum is obtained using the commercial finite element program COMSOL Multiphysics. First, analytical solutions of an equivalent multilayer geometry are used to determine whether the lipids or corneocytes constitute the main permeation barrier. Also these analytical solutions are applied for validations of the finite element solutions. Three illustrative compounds are analyzed in these sections: diethyl phthalate, caffeine and nicotine. Then, asymmetry with depth and follicular diffusion are studied using caffeine as an illustrative compound. The following findings are drawn from this study: the main permeation barrier is located in the lipid layers; the flux and lag time of diffusion through a brick-and-mortar geometry are almost identical to the values corresponding to a multilayer geometry; the flux and lag time are affected when the lipid transbilayer diffusivity or the partition coefficients vary with depth, but are not affected by depth-dependent corneocyte diffusivity; and the follicular contribution has significance for low transbilayer lipid diffusivity, especially when flux between the follicle and the surrounding stratum corneum is involved. This study demonstrates that the diffusion is primarily transcellular and the main barrier is located in the lipid layers. Published by Elsevier B.V.

Significance of vapor phase chemical reactions on CVD rates predicted by chemically frozen and local thermochemical equilibrium boundary layer theories

NASA Technical Reports Server (NTRS)

Gokoglu, Suleyman A.

1988-01-01

This paper investigates the role played by vapor-phase chemical reactions on CVD rates by comparing the results of two extreme theories developed to predict CVD mass transport rates in the absence of interfacial kinetic barrier: one based on chemically frozen boundary layer and the other based on local thermochemical equilibrium. Both theories consider laminar convective-diffusion boundary layers at high Reynolds numbers and include thermal (Soret) diffusion and variable property effects. As an example, Na2SO4 deposition was studied. It was found that gas phase reactions have no important role on Na2SO4 deposition rates and on the predictions of the theories. The implications of the predictions of the two theories to other CVD systems are discussed.

Simulation of thermally induced processes of diffusion and phase formation in layered binary metallic systems

NASA Astrophysics Data System (ADS)

Rusakov, V. S.; Sukhorukov, I. A.; Zhankadamova, A. M.; Kadyrzhanov, K. K.

2010-05-01

Results of the simulation of thermally induced processes of diffusion and phase formation in model and experimentally investigated layered binary metallic systems are presented. The physical model is based on the Darken phenomenological theory and on the mechanism of interdiffusion of components along the continuous diffusion channels of phases in the two-phase regions of the system. The simulation of processes in the model systems showed that the thermally stabilized concentration profiles in two-layer binary metallic systems are virtually independent of the partial diffusion coefficients; for the systems with the average concentration of components that is the same over the sample depth, the time of the thermal stabilization of the structural and phase state inhomogeneous over the depth grows according to a power law with increasing thickness of the system in such a manner that the thicknesses of the surface layers grow, while the thickness of the intermediate layer approaches a constant value. The results of the simulation of the processes of diffusion and phase formation in experimentally investigated layered binary systems Fe-Ti and Cu-Be upon sequential isothermal and isochronous annealings agree well with the experimental data.

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

Copper diffusion in Ti Si N layers formed by inductively coupled plasma implantation

NASA Astrophysics Data System (ADS)

Ee, Y. C.; Chen, Z.; Law, S. B.; Xu, S.; Yakovlev, N. L.; Lai, M. Y.

2006-11-01

Ternary Ti-Si-N refractory barrier films of 15 nm thick was prepared by low frequency, high density, inductively coupled plasma implantation of N into TixSiy substrate. This leads to the formation of Ti-N and Si-N compounds in the ternary film. Diffusion of copper in the barrier layer after annealing treatment at various temperatures was investigated using time-of-flight secondary ion mass spectrometer (ToF-SIMS) depth profiling, X-ray diffractometer (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) and sheet resistance measurement. The current study found that barrier failure did not occur until 650 °C annealing for 30 min. The failure occurs by the diffusion of copper into the Ti-Si-N film to form Cu-Ti and Cu-N compounds. FESEM surface morphology and EDX show that copper compounds were formed on the ridge areas of the Ti-Si-N film. The sheet resistance verifies the diffusion of Cu into the Ti-Si-N film; there is a sudden drop in the resistance with Cu compound formation. This finding provides a simple and effective method of monitoring Cu diffusion in TiN-based diffusion barriers.

Diffuse-charge dynamics of ionic liquids in electrochemical systems.

PubMed

Zhao, Hui

2011-11-01

We employ a continuum theory of solvent-free ionic liquids accounting for both short-range electrostatic correlations and steric effects (finite ion size) [Bazant et al., Phys. Rev. Lett. 106, 046102 (2011)] to study the response of a model microelectrochemical cell to a step voltage. The model problem consists of a 1-1 symmetric ionic liquid between two parallel blocking electrodes, neglecting any transverse transport phenomena. Matched asymptotic expansions in the limit of thin double layers are applied to analyze the resulting one-dimensional equations and study the overall charge-time relation in the weakly nonlinear regime. One important conclusion is that our simple scaling analysis suggests that the length scale √(λ*(D)l*(c)) accurately characterizes the double-layer structure of ionic liquids with strong electrostatic correlations where l*(c) is the electrostatic correlation length (in contrast, the Debye screening length λ*(D) is the primary double-layer length for electrolytes) and the response time of λ(D)(*3/2)L*/(D*l(c)(1/2)) (not λ*(D)L*/D* that is the primary charging time of electrolytes) is the correct charging time scale of ionic liquids with strong electrostatic correlations where D* is the diffusivity and L* is the separation length of the cell. With these two new scales, data of both electric potential versus distance from the electrode and the total diffuse charge versus time collapse onto each individual master curve in the presence of strong electrostatic correlations. In addition, the dependance of the total diffuse charge on steric effects, short-range correlations, and driving voltages is thoroughly examined. The results from the asymptotic analysis are compared favorably with those from full numerical simulations. Finally, the absorption of excess salt by the double layer creates a depletion region outside the double layer. Such salt depletion may bring a correction to the leading order terms and break down the weakly nonlinear analysis. A criterion which justifies the weakly nonlinear analysis is verified with numerical simulations.

Geometrical Effects in Noise Spectra of Superconducting Flux Qubits

NASA Astrophysics Data System (ADS)

Petukhov, Andre; Smelyanskiy, Vadim; Martinis, John

We present theoretical study of geometrical effects related to spin diffusion in superconducting flux qubits. We adopt a model of a long superconducting wire surrounded by a thin oxide layer with spins distributed uniformly over cross-sectional area of the oxide layer. Using a continuous transformation from a round cylinder to a flat wire strip, we demonstrate that the noise spectral density tends to a power law S (ω) ~(ω / Γ) - s with s 3 / 4 , approaching s = 3 / 4 for very thin wires. The ω-s dependence is valid in a broad frequency range above ωΓ stretching up to four orders of magnitude in units of characteristic diffusion decay rate Γ ~ 1 -102 Hz. The effect is highly sensitive to a cross-sectional aspect ratio of a thin wire thus revealing its geometrical origin. We substantiate our findings by detailed comparison with available experimental data and conclude that 3 / 4 power law distinguishes spin diffusion flux noise from generic `` 1 / f '' family. Supported by the AFRL Information Directorate under Grant F4HBKC4162G001.

Process for forming pure silver ohmic contacts to N- and P-type gallium arsenide materials

DOEpatents

Hogan, S.J.

1983-03-13

Disclosed is an improved process for manufacturing gallium arsenide semiconductor devices having as its components a n-type gallium arsenide substrate layer and a p-type gallium arsenide diffused layer. The improved process comprises forming a pure silver ohmic contact to both the diffuse layer and the substrate layer wherein the n-type layer comprises a substantially low doping carrier concentration.

Smooth Interfacial Scavenging for Resistive Switching Oxide via the Formation of Highly Uniform Layers of Amorphous TaOx.

PubMed

Tsurumaki-Fukuchi, Atsushi; Nakagawa, Ryosuke; Arita, Masashi; Takahashi, Yasuo

2018-02-14

We demonstrate that the inclusion of a Ta interfacial layer is a remarkably effective strategy for forming interfacial oxygen defects at metal/oxide junctions. The insertion of an interfacial layer of a reactive metal, that is, a "scavenging" layer, has been recently proposed as a way to create a high concentration of oxygen defects at an interface in redox-based resistive switching devices, and growing interest has been given to the underlying mechanism. Through structural and chemical analyses of Pt/metal/SrTiO 3 /Pt structures, we reveal that the rate and amount of oxygen scavenging are not directly determined by the formation free energies in the oxidation reactions of the scavenging metal and unveil the important roles of oxygen diffusibility. Active oxygen scavenging and highly uniform oxidation via scavenging are revealed for a Ta interfacial layer with high oxygen diffusibility. In addition, the Ta scavenging layer is shown to exhibit a highly uniform structure and to form a very flat interface with SrTiO 3 , which are advantageous for the fabrication of a steep metal/oxide contact.

Hydrodynamic and Thermal Slip Effect on Double-Diffusive Free Convective Boundary Layer Flow of a Nanofluid Past a Flat Vertical Plate in the Moving Free Stream

PubMed Central

Khan, Waqar A.; Uddin, Md Jashim; Ismail, A. I. Md.

2013-01-01

The effects of hydrodynamic and thermal slip boundary conditions on the double-diffusive free convective flow of a nanofluid along a semi-infinite flat solid vertical plate are investigated numerically. It is assumed that free stream is moving. The governing boundary layer equations are non-dimensionalized and transformed into a system of nonlinear, coupled similarity equations. The effects of the controlling parameters on the dimensionless velocity, temperature, solute and nanofluid concentration as well as on the reduced Nusselt number, reduced Sherwood number and the reduced nanoparticle Sherwood number are investigated and presented graphically. To the best of our knowledge, the effects of hydrodynamic and thermal slip boundary conditions have not been investigated yet. It is found that the reduced local Nusselt, local solute and the local nanofluid Sherwood numbers increase with hydrodynamic slip and decrease with thermal slip parameters. PMID:23533566

Titanium aluminide intermetallic alloys with improved wear resistance

DOEpatents

Qu, Jun; Lin, Hua-Tay; Blau, Peter J.; Sikka, Vinod K.

2014-07-08

The invention is directed to a method for producing a titanium aluminide intermetallic alloy composition having an improved wear resistance, the method comprising heating a titanium aluminide intermetallic alloy material in an oxygen-containing environment at a temperature and for a time sufficient to produce a top oxide layer and underlying oxygen-diffused layer, followed by removal of the top oxide layer such that the oxygen-diffused layer is exposed. The invention is also directed to the resulting oxygen-diffused titanium aluminide intermetallic alloy, as well as mechanical components or devices containing the improved alloy composition.

Modeling condensation with a noncondensable gas for mixed convection flow

NASA Astrophysics Data System (ADS)

Liao, Yehong

2007-05-01

This research theoretically developed a novel mixed convection model for condensation with a noncondensable gas. The model developed herein is comprised of three components: a convection regime map; a mixed convection correlation; and a generalized diffusion layer model. These components were developed in a way to be consistent with the three-level methodology in MELCOR. The overall mixed convection model was implemented into MELCOR and satisfactorily validated with data covering a wide variety of test conditions. In the development of the convection regime map, two analyses with approximations of the local similarity method were performed to solve the multi-component two-phase boundary layer equations. The first analysis studied effects of the bulk velocity on a basic natural convection condensation process and setup conditions to distinguish natural convection from mixed convection. It was found that the superimposed velocity increases condensation heat transfer by sweeping away the noncondensable gas accumulated at the condensation boundary. The second analysis studied effects of the buoyancy force on a basic forced convection condensation process and setup conditions to distinguish forced convection from mixed convection. It was found that the superimposed buoyancy force increases condensation heat transfer by thinning the liquid film thickness and creating a steeper noncondensable gas concentration profile near the condensation interface. In the development of the mixed convection correlation accounting for suction effects, numerical data were obtained from boundary layer analysis for the three convection regimes and used to fit a curve for the Nusselt number of the mixed convection regime as a function of the Nusselt numbers of the natural and forced convection regimes. In the development of the generalized diffusion layer model, the driving potential for mass transfer was expressed as the temperature difference between the bulk and the liquid-gas interface using the Clausius-Clapeyron equation. The model was developed on a mass basis instead of a molar basis to be consistent with general conservation equations. It was found that vapor diffusion is not only driven by a gradient of the molar fraction but also a gradient of the mixture molecular weight at the diffusion layer.

Turbulent flow near the wall of a conical diffuser

NASA Astrophysics Data System (ADS)

Satyaprakash, B. R.; Azad, R. S.; Nagabushana, K. A.; Kassab, S. Z.

The turbulent flow in a conical diffuser is predicted adapting the boundary layer calculation method of Bradshaw, Ferris and Atwell. The predicted mean velocity and shear stress profiles, using the experimental data as initial input, agree well with the measured profiles. The universal low of the wall present at the inlet vahishes in the initial region and reappears later, but the width of validity is diminished considerably. The effect of divergence is present in the initial region of the diffuser only. This technique fails to predict beyond one half the total length of the diffuser.

Chemical compatibility study between ceramic breeder and EUROFER97 steel for HCPB-DEMO blanket

NASA Astrophysics Data System (ADS)

Mukai, Keisuke; Sanchez, Fernando; Knitter, Regina

2017-05-01

Chemical compatibility between ceramic breeder (Li4SiO4 + 20 mol% addition of Li2TiO3) and EUROFER97 steel was examined in this study. These materials were contacted and heated at 623, 823 and 1073 K under He + 0.1 vol.% H2 atmosphere for up to 12 weeks. Limited influence was found in the breeder specimens, although losses of the constituent elements appeared near the surface of the breeder pellets heated at 1073 K. For the EUROFER specimens with formation of a corrosion layer, element diffusivity was estimated based on diffusion kinetics. In the temperature range, effective diffusion coefficients of oxygen into EUROFER steel were in the range from 3.5 × 10-14 to 2.5 × 10-12 cm2/s and found to be faster than that of Li. The coefficients yielded an activation energy of 0.93 eV for oxygen diffusion into EUROFER steel and predicted the possible thickness of the corrosion layer after operational periods.

Phase-Field Simulation of Concentration and Temperature Distribution During Dendritic Growth in a Forced Liquid Metal Flow

NASA Astrophysics Data System (ADS)

Du, Lifei; Zhang, Rong

2014-12-01

A phase-field model with convection is employed to investigate the effect of liquid flow on the dendritic structure formation of a Ni-Cu alloy during rapid solidification. Temperature and solute diffusion are significantly changed with induced liquid metal flow, and distribution changes of concentration and temperature are also analyzed and discussed. The solute segregation is affected due to the concentration diffusion layer thickness change caused by the liquid flow. The flow reduces the solute segregation in the upstream and leads to a fast dendrite growing, while solidifying in the downstream gets constrained with the large solute diffusion layer. Increasing flow velocity increases the asymmetry of dendrite morphology with much more suppressed growth in the downstream. The temperature distribution is also asymmetrical due to the non-uniform latent heat released during solidification coupling with heat diffusion changed by the liquid flow. Therefore, the forced liquid flow significantly affects the dendrite morphology, concentration, and temperature distributions in the solidifying microstructure.

Separation Dynamics of Controlled Internal Flow in an Adverse Pressure Gradient

NASA Astrophysics Data System (ADS)

Peterson, C. J.; Vukasinovic, B.; Glezer, A.

2017-11-01

The effects of fluidic actuation on the dynamic evolution of aggressive internal flow separation is investigated at speeds up to M = 0.4 within a constant-width diffuser branching off of a primary flow duct. It is shown that a spanwise array of fluidic actuators upstream of the separation actively controls the flow constriction (and losses) within the diffuser and consequently the local pressure gradient at its entrance. The effectiveness of the actuation, as may be measured by the increased flow rate that is diverted through the diffuser, scales with its flow rate coefficient. In the presence of actuation (0.7% mass fraction), the mass flow rate in the primary duct increases by 10% while the fraction of the diverted mass flow rate in the diffuser increases by more than 45%. The flow dynamics near separation in the absence and presence of actuation are characterized using high speed particle image velocimetry and analyzed using proper orthogonal and spectral decompositions. In particular, the spectral contents of the incipient boundary layer separation are compared in the absence and presence of actuation with emphasis on the changes in local dynamics near separation as the characteristic cross stream scale of the boundary layer increases with separation delay.

Increased sediment oxygen flux in lakes and reservoirs: The impact of hypolimnetic oxygenation

NASA Astrophysics Data System (ADS)

Bierlein, Kevin A.; Rezvani, Maryam; Socolofsky, Scott A.; Bryant, Lee D.; Wüest, Alfred; Little, John C.

2017-06-01

Hypolimnetic oxygenation is an increasingly common lake management strategy for mitigating hypoxia/anoxia and associated deleterious effects on water quality. A common effect of oxygenation is increased oxygen consumption in the hypolimnion and predicting the magnitude of this increase is the crux of effective oxygenation system design. Simultaneous measurements of sediment oxygen flux (JO2) and turbulence in the bottom boundary layer of two oxygenated lakes were used to investigate the impact of oxygenation on JO2. Oxygenation increased JO2 in both lakes by increasing the bulk oxygen concentration, which in turn steepens the diffusive gradient across the diffusive boundary layer. At high flow rates, the diffusive boundary layer thickness decreased as well. A transect along one of the lakes showed JO2 to be spatially quite variable, with near-field and far-field JO2 differing by a factor of 4. Using these in situ measurements, physical models of interfacial flux were compared to microprofile-derived JO2 to determine which models adequately predict JO2 in oxygenated lakes. Models based on friction velocity, turbulence dissipation rate, and the integral scale of turbulence agreed with microprofile-derived JO2 in both lakes. These models could potentially be used to predict oxygenation-induced oxygen flux and improve oxygenation system design methods for a broad range of reservoir systems.

Convective instabilities in a ternary alloy mushy layer

NASA Astrophysics Data System (ADS)

Anderson, Daniel; Guba, Peter

2014-11-01

We investigate a mathematical model of convection, thermal and solutal diffusion in a primary mushy layer during the solidification of a ternary alloy. In particular, we explore the influence of phase-change effects, such as solute rejection, latent heat and background solidification, in a linear stability analysis of a non-convecting base state solution. We identify how different rates of diffusion (e.g. double diffusion) as well as how different rates of solute rejection (double solute rejection) play a role in this system. Novel modes of instability that can be present under statically stable conditions are identified. Parcel arguments are proposed to explain the physical mechanisms that give rise to the instabilities. This work was supported in part by the U.S. National Science Foundation, DMS-1107848 (D.M.A.) and by the Slovak Scientific Grant Agency, VEGA 1/0711/12 (P.G.).

Structures of Cu surfaces developing in benzotriazole solutions: Effect of pH

NASA Astrophysics Data System (ADS)

Kondoh, Eiichi; Kawakami, Tatsuya; Watanabe, Mitsuhiro; Jin, Linhua; Hamada, Satomi; Shima, Shohei; Hiyama, Hirokuni

2017-07-01

The effect of pH on layer formation onto clean Cu surfaces in benzotriazole (BTA) aqueous solutions was studied by in situ spectroscopic ellipsometry. The effect of H2O2 addition was also investigated. Time changes in the ellipsometric parameters Ψ and Δ, which correspond to the structural changes of the layers on Cu, were discussed. In acidic solutions, a BTA or a Cu-BTA complex layer grows directly on Cu. The out-diffusion of Cu is suppressed at the Cu layer interface. When H2O2 was mixed, the Cu surface is eroded in acidic solutions. In alkaline solutions, the BTA layer grows on the oxidized Cu layer, or no growth occurs, depending on the composition of the solutions. In neutral solutions, the Cu-BTA complex layer forms on Cu, and the uncovered part is oxidized in the presence of H2O2.

The effect of bioadhesive on the interfacial compatibility and pervaporation performance of composite membranes by MD and GCMC simulation.

PubMed

Wang, Baohe; Nie, Yan; Ma, Jing

2018-03-01

Combing molecular dynamics (MD) and Grand Canonical Monte Carlo (GCMC) simulation, the effect of bioadhesive transition layer on the interfacial compatibility of the pervaporation composite membranes, and the pervaporation performance toward penetrant molecules were investigated. In our previous experimental study, the structural stability and permeability selectivity of the composite membranes were considerably enhanced by the introduction of bioadhesive carbopol (CP). In the present study, the interfacial compatibility and the interfacial energies between the chitosan (CS) separation layer, CP transition layer and the support layer were investigated, respectively. The mobility of polymer chains, free volume in bulk and interface regions were evaluated by the mean-square displacement (MSD) and free volume voids (FFV) analysis. The diffusion and sorption behavior of water/ethanol molecules in bulk and interface regions were characterized. The simulation results of membrane structure have good consistency, indicating that the introduction of CP transition layer improved the interfacial compatibility and interaction between the separation layer and the support layer. Comparing the bulk region of the separation layer, the mobility and free volume of the polymer chain in the interface region decreased and thus reduced the swelling of CS active layer, revealing the increased diffusion selectivity toward the permeated water and ethanol molecules. The strong hydrogen bonds interaction between the COOH of the CP transition layer and water molecules increased the adsorption of water molecules in the interface region. The simulation results were quite consistent with the experimental results. Copyright © 2018 Elsevier Inc. All rights reserved.

Impact of molybdenum out diffusion and interface quality on the performance of sputter grown CZTS based solar cells.

PubMed

Dalapati, Goutam Kumar; Zhuk, Siarhei; Masudy-Panah, Saeid; Kushwaha, Ajay; Seng, Hwee Leng; Chellappan, Vijila; Suresh, Vignesh; Su, Zhenghua; Batabyal, Sudip Kumar; Tan, Cheng Cheh; Guchhait, Asim; Wong, Lydia Helena; Wong, Terence Kin Shun; Tripathy, Sudhiranjan

2017-05-02

We have investigated the impact of Cu 2 ZnSnS 4 -Molybdenum (Mo) interface quality on the performance of sputter-grown Cu 2 ZnSnS 4 (CZTS) solar cell. Thin film CZTS was deposited by sputter deposition technique using stoichiometry quaternary CZTS target. Formation of molybdenum sulphide (MoS x ) interfacial layer is observed in sputter grown CZTS films after sulphurization. Thickness of MoS x layer is found ~142 nm when CZTS layer (550 nm thick) is sulphurized at 600 °C. Thickness of MoS x layer significantly increased to ~240 nm in case of thicker CZTS layer (650 nm) under similar sulphurization condition. We also observe that high temperature (600 °C) annealing suppress the elemental impurities (Cu, Zn, Sn) at interfacial layer. The amount of out-diffused Mo significantly varies with the change in sulphurization temperature. The out-diffused Mo into CZTS layer and reconstructed interfacial layer remarkably decreases series resistance and increases shunt resistance of the solar cell. The overall efficiency of the solar cell is improved by nearly five times when 600 °C sulphurized CZTS layer is applied in place of 500 °C sulphurized layer. Molybdenum and sulphur diffusion reconstruct the interface layer during heat treatment and play the major role in charge carrier dynamics of a photovoltaic device.

Numerical investigation of rotating stall in centrifugal compressor with vaned and vaneless diffuser

NASA Astrophysics Data System (ADS)

Halawa, Taher; Alqaradawi, Mohamed; Gadala, Mohamed S.; Shahin, Ibrahim; Badr, Osama

2015-06-01

This study presents a numerical simulation of the stall and surge in a centrifugal compressor and presents a descriptionof the stall development in two different cases. The first case is for a compressor with vaneless diffuser and the second is for a compressor with vaned diffuser of the vane island shape. The main aim of this study is to compare the flow characteristics and behavior for the two compressors near the surge operating condition and provide further understanding of the diffuser role when back flow occurs at surge. Results showed that for a locationnear the diffuser entrance, the amplitude of the static pressure fluctuations for the vaneless diffuser case is higher than that for the vaned diffuser case near surge condition. These pressure fluctuations in the case of the vaneless diffuser appear with a gradual decrease of the mean pressure value as a part of the surge cycle. While for the case of the vaned diffuser, the pressure drop during surge occurs faster than the case of the vaneless diffuser. Also, results indicated that during surge in the case of vaneless diffuser, there is a region with low velocity and back flow that appears as a layer connecting all impeller passages near shroud surface and this layer develops in size with time. On the other hand, for the case of vaned diffuser during surge, the low velocity regions appear in random locations in some passages and these regions expand with time towards the shroud surface. Results showed that during stall, the impeller passages are exposed to identical impact from stall cells in the case of vaneless diffuser while the stall effect varies from passage to another in the case of the vaned diffuser.

TEMPO/viologen electrochemical heterojunction for diffusion-controlled redox mediation: a highly rectifying bilayer-sandwiched device based on cross-reaction at the interface between dissimilar redox polymers.

PubMed

Tokue, Hiroshi; Oyaizu, Kenichi; Sukegawa, Takashi; Nishide, Hiroyuki

2014-03-26

A couple of totally reversible redox-active molecules, which are different in redox potentials, 2,2,6,6-tetramethylpiperidin-1-oxyl (TEMPO) and viologen (V(2+)), were employed to give rise to a rectified redox conduction effect. Single-layer and bilayer devices were fabricated using polymers containing these sites as pendant groups per repeating unit. The devices were obtained by sandwiching the redox polymer layer(s) with indium tin oxide (ITO)/glass and Pt foil electrodes. Electrochemical measurements of the single-layer device composed of polynorbornene-bearing TEMPO (PTNB) exhibited a diffusion-limited current-voltage response based on the TEMPO(+)/TEMPO exchange reaction, which was almost equivalent to a redox gradient through the PTNB layer depending upon the thickness. The bilayer device gave rise to the current rectification because of the thermodynamically favored cross-reaction between TEMPO(+) and V(+) at the polymer/polymer interface. A current-voltage response obtained for the bilayer device demonstrated a two-step diffusion-limited current behavior as a result of the concurrent V(2+)/V(+) and V(+)/V(0) exchange reactions according to the voltage and suggested that the charge transport process through the device was most likely to be rate-determined by a redox gradient in the polymer layer. Current collection experiments revealed a charge transport balance throughout the device, as a result of the electrochemical stability and robustness of the polymers in both redox states.

Comparison of the Radiative Two-Flux and Diffusion Approximations

NASA Technical Reports Server (NTRS)

Spuckler, Charles M.

2006-01-01

Approximate solutions are sometimes used to determine the heat transfer and temperatures in a semitransparent material in which conduction and thermal radiation are acting. A comparison of the Milne-Eddington two-flux approximation and the diffusion approximation for combined conduction and radiation heat transfer in a ceramic material was preformed to determine the accuracy of the diffusion solution. A plane gray semitransparent layer without a substrate and a non-gray semitransparent plane layer on an opaque substrate were considered. For the plane gray layer the material is semitransparent for all wavelengths and the scattering and absorption coefficients do not vary with wavelength. For the non-gray plane layer the material is semitransparent with constant absorption and scattering coefficients up to a specified wavelength. At higher wavelengths the non-gray plane layer is assumed to be opaque. The layers are heated on one side and cooled on the other by diffuse radiation and convection. The scattering and absorption coefficients were varied. The error in the diffusion approximation compared to the Milne-Eddington two flux approximation was obtained as a function of scattering coefficient and absorption coefficient. The percent difference in interface temperatures and heat flux through the layer obtained using the Milne-Eddington two-flux and diffusion approximations are presented as a function of scattering coefficient and absorption coefficient. The largest errors occur for high scattering and low absorption except for the back surface temperature of the plane gray layer where the error is also larger at low scattering and low absorption. It is shown that the accuracy of the diffusion approximation can be improved for some scattering and absorption conditions if a reflectance obtained from a Kubelka-Munk type two flux theory is used instead of a reflection obtained from the Fresnel equation. The Kubelka-Munk reflectance accounts for surface reflection and radiation scattered back by internal scattering sites while the Fresnel reflection only accounts for surface reflections.

Tuning the density profile of surface-grafted hyaluronan and the effect of counter-ions.

PubMed

Berts, Ida; Fragneto, Giovanna; Hilborn, Jöns; Rennie, Adrian R

2013-07-01

The present paper investigates the structure and composition of grafted sodium hyaluronan at a solid-liquid interface using neutron reflection. The solvated polymer at the surface could be described with a density profile that decays exponentially towards the bulk solution. The density profile of the polymer varied depending on the deposition protocol. A single-stage deposition resulted in denser polymer layers, while layers created with a two-stage deposition process were more diffuse and had an overall lower density. Despite the diffuse density profile, two-stage deposition leads to a higher surface excess. Addition of calcium ions causes a strong collapse of the sodium hyaluronan chains, increasing the polymer density near the surface. This effect is more pronounced on the sample prepared by two-stage deposition due to the initial less dense profile. This study provides an understanding at a molecular level of how surface functionalization alters the structure and how surface layers respond to changes in calcium ions in the solvent.

Chromium boron surfaced nickel-iron base alloys

NASA Technical Reports Server (NTRS)

Rashid, James M. (Inventor); Friedrich, Leonard A. (Inventor); Freling, Melvin (Inventor)

1984-01-01

Chromium boron diffusion coatings on nickel iron alloys uniquely provide them with improvement in high cycle fatigue strength (up to 30%) and erosion resistance (up to 15 times), compared to uncoated alloy. The diffused chromium layer extends in two essential concentration zones to a total depth of about 40.times.10.sup.-6 m, while the succeeding boron layer is limited to 50-90% of the depth of the richest Cr layer nearest the surface. Both coatings are applied using conventional pack diffusion processes.

In Situ Ramp Anneal X-ray Diffraction Study of Atomic Layer Deposited Ultrathin TaN and Ta 1-x Al x N y Films for Cu Diffusion Barrier Applications

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

Consiglio, S.; Dey, S.; Yu, K.

2016-01-01

Ultrathin TaN and Ta 1-xAl xN y films with x = 0.21 to 0.88 were deposited by atomic layer deposition (ALD) and evaluated for Cu diffusion barrier effectiveness compared to physical vapor deposition (PVD) grown TaN. Cu diffusion barrier effectiveness was investigated using in-situ ramp anneal synchrotron X-ray diffraction (XRD) on Cu/1.8 nm barrier/Si stacks. A Kissinger-like analysis was used to assess the kinetics of Cu 3Si formation and determine the effective activation energy (E a) for Cu silicidation. Compared to the stack with a PVD TaN barrier, the stacks with the ALD films exhibited a higher crystallization temperature (Tmore » c) for Cu silicidation. The Ea values of Cu 3Si formation for stacks with the ALD films were close to the reported value for grain boundary diffusion of Cu whereas the Ea of Cu 3Si formation for the stack with PVD TaN is closer to the reported value for lattice diffusion. For 3 nm films, grazing incidence in-plane XRD showed evidence of nanocrystallites in an amorphous matrix with broad peaks corresponding to high density cubic phase for the ALD grown films and lower density hexagonal phase for the PVD grown film further elucidating the difference in initial failure mechanisms due to differences in barrier crystallinity and associated phase.« less

Small particle transport across turbulent nonisothermal boundary layers

NASA Technical Reports Server (NTRS)

Rosner, D. E.; Fernandez De La Mora, J.

1982-01-01

The interaction between turbulent diffusion, Brownian diffusion, and particle thermophoresis in the limit of vanishing particle inertial effects is quantitatively modeled for applications in gas turbines. The model is initiated with consideration of the particle phase mass conservation equation for a two-dimensional boundary layer, including the thermophoretic flux term directed toward the cold wall. A formalism of a turbulent flow near a flat plate in a heat transfer problem is adopted, and variable property effects are neglected. Attention is given to the limit of very large Schmidt numbers and the particle concentration depletion outside of the Brownian sublayer. It is concluded that, in the parameter range of interest, thermophoresis augments the high Schmidt number mass-transfer coefficient by a factor equal to the product of the outer sink and the thermophoretic suction.

Simulation of diffuse-charge capacitance in electric double layer capacitors

NASA Astrophysics Data System (ADS)

Sun, Ning; Gersappe, Dilip

2017-01-01

We use a Lattice Boltzmann Model (LBM) in order to simulate diffuse-charge dynamics in Electric Double Layer Capacitors (EDLCs). Simulations are carried out for both the charge and the discharge processes on 2D systems of complex random electrode geometries (pure random, random spheres and random fibers). The steric effect of concentrated solutions is considered by using a Modified Poisson-Nernst-Planck (MPNP) equations and compared with regular Poisson-Nernst-Planck (PNP) systems. The effects of electrode microstructures (electrode density, electrode filler morphology, filler size, etc.) on the net charge distribution and charge/discharge time are studied in detail. The influence of applied potential during discharging process is also discussed. Our studies show how electrode morphology can be used to tailor the properties of supercapacitors.

Effects of Transition-Metal Mixing on Na Ordering and Kinetics in Layered P 2 Oxides

NASA Astrophysics Data System (ADS)

Zheng, Chen; Radhakrishnan, Balachandran; Chu, Iek-Heng; Wang, Zhenbin; Ong, Shyue Ping

2017-06-01

Layered P 2 oxides are promising cathode materials for rechargeable sodium-ion batteries. In this work, we systematically investigate the effects of transition-metal (TM) mixing on Na ordering and kinetics in the NaxCo1 -yMnyO2 model system using density-functional-theory (DFT) calculations. The DFT-predicted 0-K stability diagrams indicate that Co-Mn mixing reduces the energetic differences between Na orderings, which may account for the reduction of the number of phase transformations observed during the cycling of mixed-TM P 2 layered oxides compared to a single TM. Using ab initio molecular-dynamics simulations and nudged elastic-band calculations, we show that the TM composition at the Na(1) (face-sharing) site has a strong influence on the Na site energies, which in turn impacts the kinetics of Na diffusion towards the end of the charge. By employing a site-percolation model, we establish theoretical upper and lower bounds for TM concentrations based on their effect on Na(1) site energies, providing a framework to rationally tune mixed-TM compositions for optimal Na diffusion.

Boundary-layer exchange by bubble: A novel method for generating transient nanofluidic layers

NASA Astrophysics Data System (ADS)

Jennissen, Herbert P.

2005-10-01

Unstirred layers (i.e., Nernst boundary layers) occur on every dynamic solid-liquid interface, constituting a diffusion barrier, since the velocity of a moving liquid approaches zero at the surface (no slip). If a macromolecule-surface reaction rate is higher than the diffusion rate, the Nernst layer is solute depleted and the reaction rate becomes mass-transport limited. The thickness of a Nernst boundary layer (δN) generally lies between 5 and 50μm. In an evanescent wave rheometer, measuring fibrinogen adsorption to fused silica, we made the fundamental observation that an air bubble preceding the sample through the flow cell abolishes the mass-transport limitation of the Nernst diffusion layer. Instead exponential kinetics are found. Experimental and simulation studies strongly indicate that these results are due to the elimination of the Nernst diffusion layer and its replacement by a dynamic nanofluidic layer (δν) maximally 200-300nm thick. It is suggested that the air bubble leads to a transient boundary-layer separation into a novel nanoboundary layer on the surface and the bulk fluid velocity profile separated by a vortex sheet with an estimated lifetime of 30-60s. A bubble-induced boundary-layer exchange from the Nernst to the nanoboundary layer and back is obtained, giving sufficient time for the measurement of unbiased exponential surface kinetics. Noteworthy is that the nanolayer can exist at all and displays properties such as (i) a long persistence and resistance to dissipation by the bulk liquid (boundary-layer-exchange-hysteresis) and (ii) a lack of solute depletion in spite of boundary-layer separation. The boundary-layer-exchange by bubble (BLEB) method therefore appears ideal for enhancing the rates of all types of diffusion-limited macromolecular reactions on surfaces with contact angles between 0° and 90° and only appears limited by slippage due to nanobubbles or an air gap beneath the nanofluidic layer on very hydrophobic surfaces. The possibility of producing nanoboundary layers without any nanostructuring or nanomachining should also be useful for fundamental physical studies in nanofluidics.

Numerical study of the effects of physical parameters on the dynamic fuel retention in tungsten materials

NASA Astrophysics Data System (ADS)

Sang, Chaofeng; Sun, Jizhong; Bonnin, Xavier; Dai, Shuyu; Hu, Wanpeng; Wang, Dezhen

2014-12-01

Effects of different possible values of physical parameters on the fuel retention in tungsten (W) materials are studied in this work since W is considered as the primary plasma-facing surface material and fuel retention is a critical issue for next-step fusion devices. The upgraded Hydrogen Isotope Inventory Processes Code is used to conduct the study. First, the inventories of hydrogen isotopes (HI) inside W with different possible values of diffusivities and recombination rate coefficients are studied; then the influences of uncertainties in diffusivity, trap concentration, and recombination rate on the effective diffusion are also analyzed. Finally, an illustration of effective diffusion on the permeation and inventory is given. The enhancements of HI permeation flux and inventory in bulk W due to the presence of a carbide WxC layer on the PFS are explained.

Effects of non-unity Lewis numbers in diffusion flames

NASA Technical Reports Server (NTRS)

Linan, A.; Orlandi, P.; Verzicco, R.; Higuera, F. J.

1994-01-01

The purpose of this work is to carry out direct numerical simulations of diffusion controlled combustion with non-unity Lewis numbers for the reactants and products, thus accounting for the differential diffusion effects of the temperature and concentration fields. We use a formulation based on combining the conservation equations in a way to eliminate the reaction terms similar to the method used by Burke and Schumann (1928) for unity Lewis numbers. We present calculations for an axisymmetric fuel jet and for a planar, time evolving mixing layer, leaving out the effects of thermal expansion and variations of the transport coefficients due to the heat release. Our results show that the front of the flame shifts toward the fuel or oxygen sides owing to the effect of the differential diffusion and that the location of maximum temperature may not coincide with the flame. The dependence of the distribution of the reaction products on their Lewis number has been investigated.

Deterioration of reflecting coatings by intermetallic diffusion.

PubMed

Hunter, W R; Mikes, T L; Hass, G

1972-07-01

Gold diffraction gratings overcoated with Al + MgF(2) to increase their efficiency in the vacuum ultraviolet suffered a severe loss in efficiency within six months to a year after coating; for example, from 50% to 2% at lambda1216 A. The cause of this loss was assumed to be interdiffusion of Au and Al; therefore, a more complete study of Au-Al film combinations was performed. The coatings were aged at room and elevated temperatures. Reflectance measurements were made in the visible and vacuum ultraviolet spectral regions. For wavelengths longer than lambda900 A, the measurements show very little change until the diffusion boundary reaches the penetration depth of the radiation. If Al is the first surface layer, however, reflectance measurements at lambda584 A permit measuring the progress of the diffusion boundary toward the Al surface because of the low absorptance of Al at this wavelength. Interdiffusion can be effectively eliminated by the use of thin dielectric layers uch as SiO and the natural oxide of Al. Such protected coatings have been exposed for one week at a temperature of 170 degrees C with no visible sign of diffusion, whereas a similar coating without the barrier layer would become useless in less than 1 h. Some preliminary studies have been made with Pt-Al film combinations.

Combined effects of the drug distribution and mucus diffusion properties of self-microemulsifying drug delivery systems on the oral absorption of fenofibrate.

PubMed

Sunazuka, Yushi; Ueda, Keisuke; Higashi, Kenjirou; Tanaka, Yusuke; Moribe, Kunikazu

2018-05-24

We present the absorption improvement mechanism of fenofibrate (FFB), a Biopharmaceutics Classification System (BCS) class II drug, from self-microemulsifying drug delivery systems (SMEDDS), centered on improving the diffusion of FFB through the unstirred water layer (UWL). Four SMEDDS formulations containing Labrafac™ lipophile WL 1349 (WL1349) or Labrafil ® M 1944CS (M1944) oils and NIKKOL HCO-40 (HCO40) or NIKKOL HCO-60 (HCO60) surfactants were prepared. Every SMEDDS formulation formed microemulsion droplets of approximately 30 nm. In vitro tests showed that the microemulsion droplets containing M1944 had relatively small FFB solubilization capacities, causing larger amounts of FFB to be dissolved in the bulk water phase, compared to the droplets containing WL1349. The diffusivity of the microemulsion droplets through the mucin solution layer was enhanced when using HCO40 compared to HCO60. The oral absorption in rats was the highest when using the SMEDDS formulation containing M1944 and HCO40. High FFB distribution in the bulk water phase and fast diffusion of microemulsion droplets through the mucus layer contributed to the efficient delivery of FFB molecules through the UWL to the epithelial cells, leading to enhanced FFB absorption. Copyright © 2018 Elsevier B.V. All rights reserved.

Dopants Diffusion in Silicon during Molecular Oxygen/nitrogen Trifluoride Oxidation and Related Phenomena

NASA Astrophysics Data System (ADS)

Kim, U. S.

1990-01-01

To date, chlorine has been used as useful additives in silicon oxidation. However, rapid scaling of device dimensions motivates the development of a new dielectric layer or modification of the silicon dioxide itself. More recently, chemically enhanced thermal oxidation by the use of fluorine containing species has been introduced to verify the potential of fluorine in the silicon oxidation process. In this study, gaseous nitrogen trifluoride (NF _3) was selected as the fluorine oxidizing source based on ease of use and was compared with the dichlorofluoroethane (C_2H _3Cl_2F) source. Two different kinds of boron marker samples were prepared and oxidized in O_2/NF_3 ambient for the comparison of surface vs bulk oxidation enhanced/retarded diffusion (OED/ORD). The phosphorus, arsenic and antimony diffusion in silicon during fluorine oxidation has been studied using the various covering layers such as SiO_2, Si_3 N_4, and SiO_2 + Si_3N_4 layers. The oxidation related phenomena, i.e. enhanced silicon and silicon nitride oxidation in fluorine ambient were studied and correlated with the point defect balance at the oxidizing interface. The results of this investigation were discussed with special emphasis on the effect of fluorine on enhanced oxidation and dopant diffusion.

Modeling of Diffuse-Diffuse Photon Coupling via a Nonscattering Region: a Comparative Study

NASA Astrophysics Data System (ADS)

Lee, Jae Hoon; Kim, Seunghwan; Kim, Youn Tae

2004-06-01

It is well established that diffusion approximation is valid for light propagation in highly scattering media, but it breaks down in nonscattering regions. The previous methods that manipulate nonscattering regions are essentially boundary-to-boundary coupling (BBC) methods through a nonscattering void region based on the radiosity theory. We present a boundary-to-interior coupling (BIC) method. BIC is based on the fact that the collimated pencil beam incident on the medium can be replaced by an isotropic point source positioned at one reduced scattering length inside the medium from an illuminated point. A similar replacement is possible for the nondiffuse lights that enter the diffuse medium through the void, and it is formulated as the BIC method. We implemented both coupling methods using the finite element method (FEM) and tested for the circle with a void gap and for a four-layer adult head model. For mean time of flight, the BIC shows better agreement with Monte Carlo (MC) simulation results than BBC. For intensity, BIC shows a comparable match with MC data compared with that of BBC. The effect of absorption of the clear layer in the adult head model was investigated. Both mean time and intensity decrease as absorption of the clear layer increases.

Modeling of diffuse-diffuse photon coupling via a nonscattering region: a comparative study.

PubMed

Lee, Jae Hoon; Kim, Seunghwan; Kim, Youn Tae

2004-06-20

It is well established that diffusion approximation is valid for light propagation in highly scattering media, but it breaks down in nonscattering regions. The previous methods that manipulate nonscattering regions are essentially boundary-to-boundary coupling (BBC) methods through a nonscattering void region based on the radiosity theory. We present a boundary-to-interior coupling (BIC) method. BIC is based on the fact that the collimated pencil beam incident on the medium can be replaced by an isotropic point source positioned at one reduced scattering length inside the medium from an illuminated point. A similar replacement is possible for the nondiffuse lights that enter the diffuse medium through the void, and it is formulated as the BIC method. We implemented both coupling methods using the finite element method (FEM) and tested for the circle with a void gap and for a four-layer adult head model. For mean time of flight, the BIC shows better agreement with Monte Carlo (MC) simulation results than BBC. For intensity, BIC shows a comparable match with MC data compared with that of BBC. The effect of absorption of the clear layer in the adult head model was investigated. Both mean time and intensity decrease as absorption of the clear layer increases.

A two-layered diffusion model traces the dynamics of information processing in the valuation-and-choice circuit of decision making.

PubMed

Piu, Pietro; Fargnoli, Francesco; Innocenti, Alessandro; Rufa, Alessandra

2014-01-01

A circuit of evaluation and selection of the alternatives is considered a reliable model in neurobiology. The prominent contributions of the literature to this topic are reported. In this study, valuation and choice of a decisional process during Two-Alternative Forced-Choice (TAFC) task are represented as a two-layered network of computational cells, where information accrual and processing progress in nonlinear diffusion dynamics. The evolution of the response-to-stimulus map is thus modeled by two linked diffusive modules (2LDM) representing the neuronal populations involved in the valuation-and-decision circuit of decision making. Diffusion models are naturally appropriate for describing accumulation of evidence over the time. This allows the computation of the response times (RTs) in valuation and choice, under the hypothesis of ex-Wald distribution. A nonlinear transfer function integrates the activities of the two layers. The input-output map based on the infomax principle makes the 2LDM consistent with the reinforcement learning approach. Results from simulated likelihood time series indicate that 2LDM may account for the activity-dependent modulatory component of effective connectivity between the neuronal populations. Rhythmic fluctuations of the estimate gain functions in the delta-beta bands also support the compatibility of 2LDM with the neurobiology of DM.

Quantitative computational infrared imaging of buoyant diffusion flames

NASA Astrophysics Data System (ADS)

Newale, Ashish S.

Studies of infrared radiation from turbulent buoyant diffusion flames impinging on structural elements have applications to the development of fire models. A numerical and experimental study of radiation from buoyant diffusion flames with and without impingement on a flat plate is reported. Quantitative images of the radiation intensity from the flames are acquired using a high speed infrared camera. Large eddy simulations are performed using fire dynamics simulator (FDS version 6). The species concentrations and temperature from the simulations are used in conjunction with a narrow-band radiation model (RADCAL) to solve the radiative transfer equation. The computed infrared radiation intensities rendered in the form of images and compared with the measurements. The measured and computed radiation intensities reveal necking and bulging with a characteristic frequency of 7.1 Hz which is in agreement with previous empirical correlations. The results demonstrate the effects of stagnation point boundary layer on the upstream buoyant shear layer. The coupling between these two shear layers presents a model problem for sub-grid scale modeling necessary for future large eddy simulations.

Downstream boundary effects on the frequency of self-excited oscillations in transonic diffuser flows

NASA Astrophysics Data System (ADS)

Hsieh, T.

1986-10-01

Investigation of downstream boundary effects on the frequency of self-excited oscillations in two-dimensional, separated transonic diffuser flows were conducted numerically by solving the compressible, Reynolds-averaged, thin-layer Navier-Stokes equation with two equation turbulence models. It was found that the flow fields are very sensitive to the location of the downstream boundary. Extension of the diffuser downstream boundary significantly reduces the frequency and amplitude of oscillations for pressure, velocity, and shock. The existence of a suction slot in the experimental setpup obscures the physical downstream boundary and therefore presents a difficulty for quantitative comparisons between computation and experiment.

Computational modeling of mediator oxidation by oxygen in an amperometric glucose biosensor.

PubMed

Simelevičius, Dainius; Petrauskas, Karolis; Baronas, Romas; Razumienė, Julija

2014-02-07

In this paper, an amperometric glucose biosensor is modeled numerically. The model is based on non-stationary reaction-diffusion type equations. The model consists of four layers. An enzyme layer lies directly on a working electrode surface. The enzyme layer is attached to an electrode by a polyvinyl alcohol (PVA) coated terylene membrane. This membrane is modeled as a PVA layer and a terylene layer, which have different diffusivities. The fourth layer of the model is the diffusion layer, which is modeled using the Nernst approach. The system of partial differential equations is solved numerically using the finite difference technique. The operation of the biosensor was analyzed computationally with special emphasis on the biosensor response sensitivity to oxygen when the experiment was carried out in aerobic conditions. Particularly, numerical experiments show that the overall biosensor response sensitivity to oxygen is insignificant. The simulation results qualitatively explain and confirm the experimentally observed biosensor behavior.

Computational Modeling of Mediator Oxidation by Oxygen in an Amperometric Glucose Biosensor

PubMed Central

Šimelevičius, Dainius; Petrauskas, Karolis; Baronas, Romas; Julija, Razumienė

2014-01-01

In this paper, an amperometric glucose biosensor is modeled numerically. The model is based on non-stationary reaction-diffusion type equations. The model consists of four layers. An enzyme layer lies directly on a working electrode surface. The enzyme layer is attached to an electrode by a polyvinyl alcohol (PVA) coated terylene membrane. This membrane is modeled as a PVA layer and a terylene layer, which have different diffusivities. The fourth layer of the model is the diffusion layer, which is modeled using the Nernst approach. The system of partial differential equations is solved numerically using the finite difference technique. The operation of the biosensor was analyzed computationally with special emphasis on the biosensor response sensitivity to oxygen when the experiment was carried out in aerobic conditions. Particularly, numerical experiments show that the overall biosensor response sensitivity to oxygen is insignificant. The simulation results qualitatively explain and confirm the experimentally observed biosensor behavior. PMID:24514882

Reaction layer formation at the graphite/copper-chromium alloy interface

NASA Technical Reports Server (NTRS)

Devincent, Sandra M.; Michal, Gary M.

1992-01-01

Sessile drop tests were used to obtain information about copper chromium alloys that suitably wet graphite. Characterization of graphite/copper-chromium alloy interfaces subjected to elevated temperatures were conducted using scanning electron micrography, energy dispersive spectroscopy, auger electron spectroscopy, and x ray diffraction analyses. These analyses indicate that during sessile drop tests conducted at 1130 C for one hour, copper alloys containing greater than 0.98 percent chromium form continuous reaction layers of approximately 10 micron thickness. The reaction layers adhere to the graphite surface. The copper wets the reaction layer to form a contact angle of 60 degrees or less. X ray diffraction results indicate that the reaction layer is chromium carbide. The kinetics of reaction layer formation were modelled in terms of bulk diffusion mechanisms. Reaction layer thickness is controlled initially by the diffusion of Cr out of Cu alloy and later by the diffusion of C through chromium carbide.

Reaction layer formation at the graphite/copper-chromium alloy interface

NASA Technical Reports Server (NTRS)

Devincent, Sandra M.; Michal, Gary M.

1993-01-01

Sessile drop tests were used to obtain information about copper chromium alloys that suitably wet graphite. Characterization of graphite/copper-chromium alloy interfaces subjected to elevated temperatures were conducted using scanning electron micrography, energy dispersive spectroscopy, Auger electron spectroscopy, and X-ray diffraction analyses. These analyses indicate that during sessile drop tests conducted at 1130 C for one hour, copper alloys containing greater than 0.98 percent chromium form continuous reaction layers of approximately 10 micron thickness. The reaction layers adhere to the graphite surface. The copper wets the reaction layer to form a contact angle of 60 degrees or less. X-ray diffraction results indicate that the reaction layer is chromium carbide. The kinetics of reaction layer formation were modelled in terms of bulk diffusion mechanisms. Reaction layer thickness is controlled initially by the diffusion of Cr out of Cu alloy and later by the diffusion of C through chromium carbide.

Plasma diffusion at the magnetopause - The case of lower hybrid drift waves

NASA Technical Reports Server (NTRS)

Treumann, R. A.; Labelle, J.; Pottelette, R.

1991-01-01

The diffusion expected from the quasi-linear theory of the lower hybrid drift instability at the earth's magnetopause is recalculated. The resulting diffusion coefficient is marginally large enough to explain the thickness of the boundary layer under quiet conditions, based on observational upper limits for the wave intensities. Thus, one possible model for the boundary layer could involve equilibrium between the diffusion arising from lower hybrid waves and various loss processes.

Far-field analysis of coupled bulk and boundary layer diffusion toward an ion channel entrance.

PubMed Central

Schumaker, M F; Kentler, C J

1998-01-01

We present a far-field analysis of ion diffusion toward a channel embedded in a membrane with a fixed charge density. The Smoluchowski equation, which represents the 3D problem, is approximated by a system of coupled three- and two-dimensional diffusions. The 2D diffusion models the quasi-two-dimensional diffusion of ions in a boundary layer in which the electrical potential interaction with the membrane surface charge is important. The 3D diffusion models ion transport in the bulk region outside the boundary layer. Analytical expressions for concentration and flux are developed that are accurate far from the channel entrance. These provide boundary conditions for a numerical solution of the problem. Our results are used to calculate far-field ion flows corresponding to experiments of Bell and Miller (Biophys. J. 45:279, 1984). PMID:9591651

Probing Exciton Diffusion and Dissociation in Single-Walled Carbon Nanotube-C60 Heterojunctions

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

Dowgiallo, Anne-Marie; Mistry, Kevin S.; Johnson, Justin C.

The efficiency of thin-film organic photovoltaic (OPV) devices relies heavily upon the transport of excitons to type-II heterojunction interfaces, where there is sufficient driving force for exciton dissociation and ultimately the formation of charge carriers. Semiconducting single-walled carbon nanotubes (SWCNTs) are strong near-infrared absorbers that form type-II heterojunctions with fullerenes such as C60. Although the efficiencies of SWCNT-fullerene OPV devices have climbed over the past few years, questions remain regarding the fundamental factors that currently limit their performance. In this study, we determine the exciton diffusion length in the C60 layer of SWCNT-C60 bilayer active layers using femtosecond transient absorptionmore » measurements. We demonstrate that hole transfer from photoexcited C60 molecules to SWCNTs can be tracked by the growth of narrow spectroscopic signatures of holes in the SWCNT 'reporter layer'. In bilayers with thick C60 layers, the SWCNT charge-related signatures display a slow rise over hundreds of picoseconds, reflecting exciton diffusion through the C60 layer to the interface. A model based on exciton diffusion with a Beer-Lambert excitation profile, as well as Monte Carlo simulations, gives the best fit to the data as a function of C60 layer thickness using an exciton diffusion length of approximately 5 nm.« less

Probing Exciton Diffusion and Dissociation in Single-Walled Carbon Nanotube-C(60) Heterojunctions.

PubMed

Dowgiallo, Anne-Marie; Mistry, Kevin S; Johnson, Justin C; Reid, Obadiah G; Blackburn, Jeffrey L

2016-05-19

The efficiency of thin-film organic photovoltaic (OPV) devices relies heavily upon the transport of excitons to type-II heterojunction interfaces, where there is sufficient driving force for exciton dissociation and ultimately the formation of charge carriers. Semiconducting single-walled carbon nanotubes (SWCNTs) are strong near-infrared absorbers that form type-II heterojunctions with fullerenes such as C60. Although the efficiencies of SWCNT-fullerene OPV devices have climbed over the past few years, questions remain regarding the fundamental factors that currently limit their performance. In this study, we determine the exciton diffusion length in the C60 layer of SWCNT-C60 bilayer active layers using femtosecond transient absorption measurements. We demonstrate that hole transfer from photoexcited C60 molecules to SWCNTs can be tracked by the growth of narrow spectroscopic signatures of holes in the SWCNT "reporter layer". In bilayers with thick C60 layers, the SWCNT charge-related signatures display a slow rise over hundreds of picoseconds, reflecting exciton diffusion through the C60 layer to the interface. A model based on exciton diffusion with a Beer-Lambert excitation profile, as well as Monte Carlo simulations, gives the best fit to the data as a function of C60 layer thickness using an exciton diffusion length of approximately 5 nm.

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

Modeling Disturbance Dynamics in Transitional and Turbulent Boundary Layers

NASA Technical Reports Server (NTRS)

Grosch, C. E.; Gatski, T. B. (Technical Monitor)

2002-01-01

The dynamics of an ensemble of linear disturbances in boundary-layer flows at various Reynolds numbers is studied through an analysis of the transport equations for the mean disturbance kinetic energy and energy dissipation rate. Effects of adverse and favorable pressure-gradients on the disturbance dynamics are also included in the analysis. Unlike the fully turbulent regime where nonlinear phase scrambling of the fluctuations affects the flow field even in proximity to the wall, the early stage transition regime fluctuations studied here are influenced across the boundary layer by the solid boundary. In addition, the dominating dynamics in the disturbance kinetic energy equation is governed by the energy production, pressure-transport and viscous diffusion - also in contrast to the fully turbulent regime. For the disturbance dissipation rate, a dynamic balance exists between the destruction and diffusion of dissipation.

Feasibility study of tungsten as a diffusion barrier between nickel-chromium-aluminum and Gamma/Gamma prime - Delta eutectic alloys

NASA Technical Reports Server (NTRS)

Young, S. G.; Zellars, G. R.

1978-01-01

Coating systems proposed for potential use on eutectic alloy components in high-temperature gas turbine engines were studied with emphasis on deterioration of such systems by diffusion. A 1-mil thick W sheet was placed between eutectic alloys and a NiCrAl layer. Layered test specimens were aged at 1100 C for as long as long as 500 hours. Without the W barrier, the delta phase of the eutectic deteriorated by diffusion of Nb into the NiCrAl. Insertion of the W barrier stopped the diffusion of Nb from delta. Chromium diffusion from the NiCrAl into the gamma/gamma prime phase of the eutectic was greatly reduced by the barrier. However, the barrier thickness decreased with time; and W diffused into both the NiCrAl and the eutectic. When the delta platelets were alined parallel to the NiCrAl layer, rather than perpendicular, diffusion into the eutectic was reduced.

Ultrafast atomic layer-by-layer oxygen vacancy-exchange diffusion in double-perovskite LnBaCo2O5.5+δ thin films.

PubMed

Bao, Shanyong; Ma, Chunrui; Chen, Garry; Xu, Xing; Enriquez, Erik; Chen, Chonglin; Zhang, Yamei; Bettis, Jerry L; Whangbo, Myung-Hwan; Dong, Chuang; Zhang, Qingyu

2014-04-22

Surface exchange and oxygen vacancy diffusion dynamics were studied in double-perovskites LnBaCo2O5.5+δ (LnBCO) single-crystalline thin films (Ln = Er, Pr; -0.5 < δ < 0.5) by carefully monitoring the resistance changes under a switching flow of oxidizing gas (O2) and reducing gas (H2) in the temperature range of 250 ~ 800 °C. A giant resistance change ΔR by three to four orders of magnitude in less than 0.1 s was found with a fast oscillation behavior in the resistance change rates in the ΔR vs. t plots, suggesting that the oxygen vacancy exchange diffusion with oxygen/hydrogen atoms in the LnBCO thin films is taking the layer by layer oxygen-vacancy-exchange mechanism. The first principles density functional theory calculations indicate that hydrogen atoms are present in LnBCO as bound to oxygen forming O-H bonds. This unprecedented oscillation phenomenon provides the first direct experimental evidence of the layer by layer oxygen vacancy exchange diffusion mechanism.

Simulations of Cyclic Voltammetry for Electric Double Layers in Asymmetric Electrolytes: A Generalized Modified Poisson-Nernst-Planck Model

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

Wang, Hainan; Thiele, Alexander; Pilon, Laurent

2013-11-15

This paper presents a generalized modified Poisson–Nernst–Planck (MPNP) model derived from first principles based on excess chemical potential and Langmuir activity coefficient to simulate electric double-layer dynamics in asymmetric electrolytes. The model accounts simultaneously for (1) asymmetric electrolytes with (2) multiple ion species, (3) finite ion sizes, and (4) Stern and diffuse layers along with Ohmic potential drop in the electrode. It was used to simulate cyclic voltammetry (CV) measurements for binary asymmetric electrolytes. The results demonstrated that the current density increased significantly with decreasing ion diameter and/or increasing valency |z i| of either ion species. By contrast, the ionmore » diffusion coefficients affected the CV curves and capacitance only at large scan rates. Dimensional analysis was also performed, and 11 dimensionless numbers were identified to govern the CV measurements of the electric double layer in binary asymmetric electrolytes between two identical planar electrodes of finite thickness. A self-similar behavior was identified for the electric double-layer integral capacitance estimated from CV measurement simulations. Two regimes were identified by comparing the half cycle period τ CV and the “RC time scale” τ RC corresponding to the characteristic time of ions’ electrodiffusion. For τ RC ← τ CV, quasi-equilibrium conditions prevailed and the capacitance was diffusion-independent while for τ RC → τ CV, the capacitance was diffusion-limited. The effect of the electrode was captured by the dimensionless electrode electrical conductivity representing the ratio of characteristic times associated with charge transport in the electrolyte and that in the electrode. The model developed here will be useful for simulating and designing various practical electrochemical, colloidal, and biological systems for a wide range of applications.« less

Understanding the effect of an in situ generated and integrated spinel phase on a layered Li-rich cathode material using a non-stoichiometric strategy.

PubMed

Zhang, Jicheng; Gao, Rui; Sun, Limei; Li, Zhengyao; Zhang, Heng; Hu, Zhongbo; Liu, Xiangfeng

2016-09-14

Recently, spinel-layered integrated Li-rich cathode materials have attracted great interest due to the large enhancement of their electrochemical performances. However, the modification mechanism and the effect of the integrated spinel phase on Li-rich layered cathode materials are still not very clear. Herein, we have successfully synthesized the spinel-layered integrated Li-rich cathode material using a facile non-stoichiometric strategy (NS-LNCMO). The rate capability (84 mA h g -1 vs. 28 mA h g -1 , 10 C), cycling stability (92.4% vs. 80.5%, 0.2 C), low temperature electrochemical capability (96.5 mA h g -1 vs. 59 mA h g -1 , -20 °C), initial coulomb efficiency (92% vs. 79%) and voltage fading (2.77 V vs. 3.02 V, 200 cycles@1 C) of spinel-layered integrated Li-rich cathode materials have been significantly improved compared with a pure Li-rich phase cathode. Some new insights into the effect of the integrated spinel phase on a layered Li-rich cathode have been proposed through a comparison of the structure evolution of the integrated and Li-rich only materials before and after cycling. The Li-ion diffusion coefficient of NS-LNCMO has been enlarged by about 3 times and almost does not change even after 100 cycles indicating an enhanced structure stability. The integration of the spinel phase not only enhances the structure stability of the layered Li-rich phase during charging-discharging but also expands the interslab spacing of the Li-ion diffusion layer, and elongates TM-O covalent bond lengths, which lowers the activation barrier of Li + -transportation, and alleviates the structure strain during the cycling procedure.

Au/Ti resistors used for Nb/Pb-alloy Josephson junctions. II. Thermal stability

NASA Astrophysics Data System (ADS)

Murakami, Masanori; Kim, K. K.

1984-10-01

In the preceding paper bilayered Au/Ti resistors were found to have excellent electrical stability during storage at room temperature after preannealing at an elevated temperature, which is essential to design logic and memory circuits of Nb/Pb-alloy Josephson junction devices. The resistors could contact directly with the Pb-alloy control lines in which Pb and In atoms which are known to intermix easily with Au atoms are contained. Since Pb and In atoms in the control lines are separated from Au atoms of the resistors by thin Ti layers, thermal stability at the contacts is a major concern for use of the Au/Ti resistor material in the Josephson devices. In the present study, surface morphology change and diffusion mechanism at the resistor/control-line contacts were studied using x-ray diffraction and scanning electron microscopy for square-shaped Au/Ti resistors covered by Pb-In layers. The samples were isothermally annealed at temperatures ranging from 353 to 423 K. The diffusion did not occur immediately after annealing at these temperatures. After the incubation period, the interdiffusion was observed to initiate at the edges of the resistors facing to the center of the cathode. Significant amounts of the In atoms in the Pb-In layers were observed to diffuse into the Au layers of the resistors, forming AuIn2 compounds under the Ti layers. By measuring growth rates of the AuIn2 layers, the diffusion coefficients and the activation energy for the layer growth were determined. Also, by analyzing changes in the In concentration in the Pb-In layers during annealing, interdiffusion coefficients of In atoms in the Pb-In layers were determined using a computer simulation technique. The activation energy was about 1.1 eV. Since these diffusion coefficients were found to be very close to those determined previously in bulk materials, the diffusion kinetics is believed to be controlled by the lattice diffusion. Based on the present results, several methods to reduce the interdiffusion between Pb-alloy and Au/Ti resistors were proposed.

Reflectance spectroscopy can quantify cutaneous haemoglobin oxygenation by oxygen uptake from the atmosphere after epidermal barrier disruption.

PubMed

Heise, H M; Lampen, P; Stücker, M

2003-11-01

The supply of oxygen to the viable skin tissue within the upper layers is not only secured by the cutaneous blood vascular system, but to a significant part also by oxygen diffusion from the atmosphere through the horny layer. The aim of this study was to examine whether changes in haemoglobin oxygenation can be observed within the isolated perfused bovine udder skin used as a skin model by removing the upper horny layer by adhesive tape stripping. Diffuse reflectance spectroscopy in the visible spectral range was used for non-invasive characterisation of haemoglobin oxygenation in skin under in vitro conditions. Mid-infrared attenuated total reflectance spectroscopy was employed for analysing the surface layer of the stratum corneum with respect to keratin, water and lipid components. Skin barrier disruption was achieved by repeated stripping of superficial corneocyte layers by adhesive tape. Significant changes in skin haemoglobin oxygenation were observed for skin areas with reduced lipid concentration and a reduced stratum corneum layer, as determined from the quantitative evaluation of the diffuse reflectance skin spectra. The result can be interpreted as an increase of oxygen diffusion after the removal of the upper horny layer.

An experimental study of solid source diffusion by spin on dopants and its application for minimal silicon-on-insulator CMOS fabrication

NASA Astrophysics Data System (ADS)

Liu, Yongxun; Koga, Kazuhiro; Khumpuang, Sommawan; Nagao, Masayoshi; Matsukawa, Takashi; Hara, Shiro

2017-06-01

Solid source diffusions of phosphorus (P) and boron (B) into the half-inch (12.5 mm) minimal silicon (Si) wafers by spin on dopants (SOD) have been systematically investigated and the physical-vapor-deposited (PVD) titanium nitride (TiN) metal gate minimal silicon-on-insulator (SOI) complementary metal-oxide-semiconductor (CMOS) field-effect transistors (FETs) have successfully been fabricated using the developed SOD thermal diffusion technique. It was experimentally confirmed that a low temperature oxidation (LTO) process which depresses a boron silicide layer formation is effective way to remove boron-glass in a diluted hydrofluoric acid (DHF) solution. It was also found that top Si layer thickness of SOI wafers is reduced in the SOD thermal diffusion process because of its consumption by thermal oxidation owing to the oxygen atoms included in SOD films, which should be carefully considered in the ultrathin SOI device fabrication. Moreover, normal operations of the fabricated minimal PVD-TiN metal gate SOI-CMOS inverters, static random access memory (SRAM) cells and ring oscillators have been demonstrated. These circuit level results indicate that no remarkable particles and interface traps were introduced onto the minimal wafers during the device fabrication, and the developed solid source diffusion by SOD is useful for the fabrication of functional logic gate minimal SOI-CMOS integrated circuits.

Gas diffusion layers coated with a microporous layer containing hydrophilic carbon nanotubes for performance enhancement of polymer electrolyte fuel cells under both low and high humidity conditions

NASA Astrophysics Data System (ADS)

Kitahara, Tatsumi; Nakajima, Hironori; Okamura, Kosuke

2015-06-01

Gas diffusion layers (GDLs) coated with a hydrophobic microporous layer (MPL) composed of carbon black and polytetrafluoroethylene (PTFE) have been commonly used to improve the water management characteristics of polymer electrolyte fuel cells (PEFCs). However, the hydrophobic MPL coated GDL designed to prevent dehydration of the membrane under low humidity conditions is generally inferior at reducing flooding under high humidity conditions. It is therefore important to develop a robust MPL coated GDL that can enhance the PEFC performance regardless of the humidity conditions. In the present study, a GDL coated with an MPL containing hydrophilic carbon nanotubes (CNTs) was developed. The less hydrophobic pores incorporating CNTs are effective at conserving the membrane humidity under low humidity conditions. The MPL with CNTs is also effective at expelling excess water from the catalyst layer while maintaining oxygen flow pathways from the GDL substrate, allowing the mean flow pore diameter to be decreased to 2 μm without reducing the ability of the MPL to prevent flooding under high humidity conditions. An MPL coated GDL with a CNT content of 4 mass% exhibits significantly higher performance under both low and high humidity conditions than a hydrophobic MPL coated GDL.

Notes on the Prediction of Shock-induced Boundary-layer Separation

NASA Technical Reports Server (NTRS)

Lange, Roy H.

1953-01-01

The present status of available information relative to the prediction of shock-induced boundary-layer separation is discussed. Experimental results showing the effects of Reynolds number and Mach number on the separation of both laminar and turbulent boundary layer are given and compared with available methods for predicting separation. The flow phenomena associated with separation caused by forward-facing steps, wedges, and incident shock waves are discussed. Applications of the flat-plate data to problems of separation on spoilers, diffusers, and scoop inlets are indicated for turbulent boundary layers.

Aminosilanization nanoadhesive layer for nanoelectric circuits with porous ultralow dielectric film.

PubMed

Zhao, Zhongkai; He, Yongyong; Yang, Haifang; Qu, Xinping; Lu, Xinchun; Luo, Jianbin

2013-07-10

An ultrathin layer is investigated for its potential application of replacing conventional diffusion barriers and promoting interface adhesion for nanoelectric circuits with porous ultralow dielectrics. The porous ultralow dielectric (k ≈ 2.5) substrate is silanized by 3-aminopropyltrimethoxysilane (APTMS) to form the nanoadhesive layer by performing oxygen plasma modification and tailoring the silanization conditions appropriately. The high primary amine content is obtained in favor of strong interaction between amino groups and copper. And the results of leakage current measurements of metal-oxide-semiconductor capacitor structure demonstrate that the aminosilanization nanoadhesive layer can block copper diffusion effectively and guarantee the performance of devices. Furthermore, the results of four-point bending tests indicate that the nanoadhesive layer with monolayer structure can provide the satisfactory interface toughness up to 6.7 ± 0.5 J/m(2) for Cu/ultralow-k interface. Additionally, an annealing-enhanced interface toughness effect occurs because of the formation of Cu-N bonding and siloxane bridges below 500 °C. However, the interface is weakened on account of the oxidization of amines and copper as well as the breaking of Cu-N bonding above 500 °C. It is also found that APTMS nanoadhesive layer with multilayer structure provides relatively low interface toughness compared with monolayer structure, which is mainly correlated to the breaking of interlayer hydrogen bonding.

Interface-Enhanced Spin-Orbit Torques and Current-Induced Magnetization Switching of Pd /Co /AlOx Layers

NASA Astrophysics Data System (ADS)

Ghosh, Abhijit; Garello, Kevin; Avci, Can Onur; Gabureac, Mihai; Gambardella, Pietro

2017-01-01

Magnetic heterostructures that combine large spin-orbit torque efficiency, perpendicular magnetic anisotropy, and low resistivity are key to developing electrically controlled memory and logic devices. Here, we report on vector measurements of the current-induced spin-orbit torques and magnetization switching in perpendicularly magnetized Pd /Co /AlOx layers as a function of Pd thickness. We find sizable dampinglike (DL) and fieldlike (FL) torques, on the order of 1 mT per 107 A /cm2 , which have different thicknesses and magnetization angle dependencies. The analysis of the DL torque efficiency per unit current density and the electric field using drift-diffusion theory leads to an effective spin Hall angle and spin-diffusion length of Pd larger than 0.03 and 7 nm, respectively. The FL spin-orbit torque includes a significant interface contribution, is larger than estimated using drift-diffusion parameters, and, furthermore, is strongly enhanced upon rotation of the magnetization from the out-of-plane to the in-plane direction. Finally, taking advantage of the large spin-orbit torques in this system, we demonstrate bipolar magnetization switching of Pd /Co /AlOx layers with a similar current density to that used for Pt /Co layers with a comparable perpendicular magnetic anisotropy.

Simulations of the stratocumulus-topped boundary layer with a third-order closure model

NASA Technical Reports Server (NTRS)

Moeng, C. H.; Randall, D. A.

1984-01-01

A third order closure model is proposed by Andre et al. (1982), in which the time rate of change terms, the relaxation and rapid effects for the pressure related terms, and the clipping approximation are included along with the quasi-normal closure, to study turbulence in a cloudy layer which is cooled radiatively from above. A spurious oscillation which is strongest near the inversion occurs. An analysis of the problem shows that the oscillation arises from the mean gradient and buoyancy terms of the triple moment equations; these terms are largest near the cloud top. The oscillation is physical, rather than computational. In nature the oscillation is effectively damped, by a mechanism which apparently is not included in our model. In the stably stratified layer just above the mixed layer top, turbulence can excite gravity waves, whose energy is radiated away. Because the closure assumption for the pressure terms does not take into account the transport of wave energy, the model generates spurious oscillations. Damping of the oscillations is possible by introducing diffusion terms into the triple moment equations. With a large enough choice for the diffusion coefficient, the oscillation is effectively eliminated. The results are quite sensitive to the ad hoc eddy coefficient.

Investigation of water mobility and diffusivity in hydrating micronized low-substituted hydroxypropyl cellulose, hydroxypropylmethyl cellulose, and hydroxypropyl cellulose matrix tablets by magnetic resonance imaging (MRI).

PubMed

Kojima, Masazumi; Nakagami, Hiroaki

2002-12-01

The water mobility and diffusivity in the gel-layer of hydrating low-substituted hydroxypropyl cellulose (LH41) tablets with or without a drug were investigated by magnetic resonance imaging (MRI) and compared with those properties in the gel-layer of hydroxypropylmethyl cellulose (HPMC) and hydroxypropyl cellulose (HPC) tablets. For this purpose, a localized image-analysis method was newly developed, and the spin-spin relaxation time (T(2)) and apparent self-diffusion coefficient (ADC) of water in the gel-layer were visualized in one-dimensional maps. Those maps showed that the extent of gel-layer growth in the tablets was in the order of HPC>HPMC>LH41, and there was a water mobility gradient across the gel-layers of all three tablet formulations. The T(2) and ADC in the outer parts of the gel-layers were close to those of free water. In contrast, these values in the inner parts of the gel-layer decreased progressively; suggesting that the water mobility and diffusivity around the core interface were highly restricted. Furthermore, the correlation between the T(2) of (1)H proton in the gel-layer of the tablets and the drug release rate from the tablets was observed.

Improved fill factor in inverted planar perovskite solar cells with zirconium acetate as the hole-and-ion-blocking layer.

PubMed

Zhang, Xuewen; Liang, Chunjun; Sun, Mengjie; Zhang, Huimin; Ji, Chao; Guo, Zebang; Xu, Yajun; Sun, Fulin; Song, Qi; He, Zhiqun

2018-03-14

Planar perovskite solar cells (PSCs) have gained great interest due to their low-temperature solution preparation and simple process. In inverted planar PSCs, an additional buffer layer is usually needed on the top of the PCBM electron-transport layer (ETL) to enhance the device performance. In this work, we used a new buffer layer, zirconium acetate (Zr(Ac) 4 ). The inclusion of the Zr(Ac) 4 buffer layer leads to the increase of FF from ∼68% to ∼79% and PCE from ∼14% to ∼17% in the planar PSCs. The UPS measurement indicates that the Zr(Ac) 4 layer has a low HOMO level of -8.2 eV, indicating that the buffer layer can act as a hole-blocking layer. Surface morphology and surface chemistry investigations reveal that the elements I, MA and Pb can diffuse across the PCBM ETL, damaging the device performance. The covering Zr(Ac) 4 molecules fill in the pinholes of the PCBM layer and effectively block the ions/molecules of the perovskite from diffusion across the ETL. The resulting more robust PCBM/Zr(Ac) 4 ETL leads to weaker ionic charge accumulation and lower diode leakage current. The double role of hole-and-ion blocking of the Zr(Ac) 4 layer explains the improved FF and PCE in the PSCs.

Fuel cell assembly unit for promoting fluid service and electrical conductivity

DOEpatents

Jones, Daniel O.

1999-01-01

Fluid service and/or electrical conductivity for a fuel cell assembly is promoted. Open-faced flow channel(s) are formed in a flow field plate face, and extend in the flow field plate face between entry and exit fluid manifolds. A resilient gas diffusion layer is located between the flow field plate face and a membrane electrode assembly, fluidly serviced with the open-faced flow channel(s). The resilient gas diffusion layer is restrained against entering the open-faced flow channel(s) under a compressive force applied to the fuel cell assembly. In particular, a first side of a support member abuts the flow field plate face, and a second side of the support member abuts the resilient gas diffusion layer. The support member is formed with a plurality of openings extending between the first and second sides of the support member. In addition, a clamping pressure is maintained for an interface between the resilient gas diffusion layer and a portion of the membrane electrode assembly. Preferably, the support member is spikeless and/or substantially flat. Further, the support member is formed with an electrical path for conducting current between the resilient gas diffusion layer and position(s) on the flow field plate face.

Experimental investigation of the excess charge and time constant of minority carriers in the thin diffused layer of 0.1 ohm-cm silicon solar cells

NASA Technical Reports Server (NTRS)

Godlewski, M. P.; Brandhorst, H. W., Jr.; Lindholm, F. A.; Sah, C. T.

1976-01-01

An experimental method is presented that can be used to interpret the relative roles of bandgap narrowing and recombination processes in the diffused layer. This method involves measuring the device time constant by open-circuit voltage decay and the base region diffusion length by X-ray excitation. A unique illuminated diode method is used to obtain the diode saturation current. These data are interpreted using a simple model to determine individually the minority carrier lifetime and the excess charge. These parameters are then used to infer the relative importance of bandgap narrowing and recombination processes in the diffused layer.

Nitriding of AISI 4140 steel by a low energy broad ion source

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

Ochoa, E. A.; Figueroa, C. A.; Alvarez, F.

2006-11-15

A comprehensive study of the thermochemical nitriding process of steel AISI 4140 by low energy ion implantation (Kaufmann cell) is reported. Different times of implantation were employed and the studied samples were characterized by x-ray diffraction, in situ photoemission electron spectroscopy, scanning electron microscopy, and hardness (nanoindentation) measurements. The linear relationship between nitrogen content and hardness was verified. The structure of the nitrided layer was characterized yielding that the compound layer is formed by coarse precipitates, around small grains, constituted principally by {epsilon}-Fe{sub 2-3}N and {gamma}-Fe{sub 4}N phases and the diffusion zone is formed by fine precipitates, around big grainsmore » of the original martensitic phase, constituted principally by {gamma}-Fe{sub 4}N phase. Finally, a diffusion model for multiphase systems was applied to determine effective diffusion coefficients of nitrogen in the different phases.« less

Application of diffusion barriers to the refractory fibers of tungsten, columbium, carbon and aluminum oxide

NASA Technical Reports Server (NTRS)

Douglas, F. C.; Paradis, E. L.; Veltri, R. D.

1973-01-01

A radio frequency powered ion-plating system was used to plate protective layers of refractory oxides and carbide onto high strength fiber substrates. Subsequent overplating of these combinations with nickel and titanium was made to determine the effectiveness of such barrier layers in preventing diffusion of the overcoat metal into the fibers with consequent loss of fiber strength. Four substrates, five coatings, and two metal matrix materials were employed for a total of forty material combinations. The substrates were tungsten, niobium, NASA-Hough carbon, and Tyco sapphire. The diffusion-barrier coatings were aluminum oxide, yttrium oxide, titanium carbide, tungsten carbide with 14% cobalt addition, and zirconium carbide. The metal matrix materials were IN 600 nickel and Ti 6/4 titanium. Adhesion of the coatings to all substrates was good except for the NASA-Hough carbon, where flaking off of the oxide coatings in particular was observed.

Instabilities and diffusion in a hydrodynamic model of a fluid membrane coupled to a thin active fluid layer.

PubMed

Sarkar, N; Basu, A

2012-11-01

We construct a coarse-grained effective two-dimensional (2d hydrodynamic theory as a theoretical model for a coupled system of a fluid membrane and a thin layer of a polar active fluid in its ordered state that is anchored to the membrane. We show that such a system is prone to generic instabilities through the interplay of nonequilibrium drive, polar order and membrane fluctuation. We use our model equations to calculate diffusion coefficients of an inclusion in the membrane and show that their values depend strongly on the system size, in contrast to their equilibrium values. Our work extends the work of S. Sankararaman and S. Ramaswamy (Phys. Rev. Lett., 102, 118107 (2009)) to a coupled system of a fluid membrane and an ordered active fluid layer. Our model is broadly inspired by and should be useful as a starting point for theoretical descriptions of the coupled dynamics of a cell membrane and a cortical actin layer anchored to it.

Application of underdamped Langevin dynamics simulations for the study of diffusion from a drug-eluting stent

NASA Astrophysics Data System (ADS)

Regev, Shaked; Farago, Oded

2018-10-01

We use a one-dimensional two layer model with a semi-permeable membrane to study the diffusion of a therapeutic drug delivered from a drug-eluting stent (DES). The rate of drug transfer from the stent coating to the arterial wall is calculated by using underdamped Langevin dynamics simulations. Our results reveal that the membrane has virtually no delay effect on the rate of delivery from the DES. The work demonstrates the great potential of underdamped Langevin dynamics simulations as an easy to implement, efficient, method for solving complicated diffusion problems in systems with a spatially-dependent diffusion coefficient.

Study of electron transport in a Hall thruster by axial–radial fully kinetic particle simulation

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

Cho, Shinatora, E-mail: choh.shinatora@jaxa.jp; Kubota, Kenichi; Funaki, Ikkoh

2015-10-15

Electron transport across a magnetic field in a magnetic-layer-type Hall thruster was numerically investigated for the future predictive modeling of Hall thrusters. The discharge of a 1-kW-class magnetic-layer-type Hall thruster designed for high-specific-impulse operation was modeled using an r-z two-dimensional fully kinetic particle code with and without artificial electron-diffusion models. The thruster performance results showed that both electron transport models captured the experimental result within discrepancies less than 20% in thrust and discharge current for all the simulated operation conditions. The electron cross-field transport mechanism of the so-called anomalous diffusion was self-consistently observed in the simulation without artificial diffusion models;more » the effective electron mobility was two orders of magnitude higher than the value obtained using the classical diffusion theory. To account for the self-consistently observed anomalous transport, the oscillation of plasma properties was speculated. It was suggested that the enhanced random-walk diffusion due to the velocity oscillation of low-frequency electron flow could explain the observed anomalous diffusion within an order of magnitude. The dominant oscillation mode of the electron flow velocity was found to be 20 kHz, which was coupled to electrostatic oscillation excited by global ionization instability.« less

Mixing Regimes in a Spatially Confined, Two-Dimensional, Supersonic Shear Layer

DTIC Science & Technology

1992-07-31

MODEL ................................... 3 THE MODEL PROBLEMS .............................................. 6 THE ONE-DIMENSIONAL PROBLEM...the effects of the numerical diffusion on the spectrum. Guirguis et al.ś and Farouk et al."’ have studied spatially evolving mixing layers for equal...approximations. Physical and Numerical Model General Formulation We solve the time-dependent, two-dimensional, compressible, Navier-Stokes equations for a

Flow Separation

DTIC Science & Technology

1975-11-01

PLENUM CHAMBER 4 DIFFUSER 2 FIXEn NOZZLE BLOCK 5 MODEL i MOVABLE NOZZLE BLOCK 6 SUPPORT Fig. 3. Trl-Color Filter ...boun- dary layer ( Model 2) to examine scaling effects. Special attention was paid to the phenomenon of flow separation in three dimensions...consequence. Special attention should be paid to the difference in scale of an average boundary layer thickness between Model 1 and 2. Because

Intermixing in Cu/Ni multilayers induced by cold rolling

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

Wang, Z.; Perepezko, J. H., E-mail: perepezk@engr.wisc.edu; Larson, D.

2015-04-28

Repeated cold rolling was performed on multilayers of Cu60/Ni40 and Cu40/Ni60 foil arrays to study the details of driven atomic scale interfacial mixing. With increasing deformation, there is a significant layer refinement down to the nm level that leads to the formation of a solid solution phase from the elemental end members. Intriguingly, the composition of the solid solution is revealed by an oscillation in the composition profile across the multilayers, which is different from the smoothly varying profile due to thermally activated diffusion. During the reaction, Cu mixed into Ni preferentially compared to Ni mixing into Cu, which ismore » also in contrast to the thermal diffusion behavior. This is confirmed by observations from X-ray diffraction, electron energy loss spectrum and atom probe tomography. The diffusion coefficient induced by cold rolling is estimated as 1.7 × 10{sup −17} m{sup 2}/s, which cannot be attributed to any thermal effect. The effective temperature due to the deformation induced mixing is estimated as 1093 K and an intrinsic diffusivity d{sub b}, which quantifies the tendency towards equilibrium in the absence of thermal diffusion, is estimated as 6.38 × 10{sup −18} m{sup 2}/s. The fraction of the solid solution phase formed is illustrated by examining the layer thickness distribution and is described by using an error function representation. The evolution of mixing in the solid solution phase is described by a simplified sinusoid model, in which the amplitude decays with increased deformation level. The promoted diffusion coefficient could be related to the effective temperature concept, but the establishment of an oscillation in the composition profile is a characteristic behavior that develops due to deformation.« less

The Effect of Weak Resistivity and Weak Thermal Diffusion on Short-wavelength Magnetic Buoyancy Instability

NASA Astrophysics Data System (ADS)

Gradzki, Marek J.; Mizerski, Krzysztof A.

2018-03-01

Magnetic buoyancy instability in weakly resistive and thermally conductive plasma is an important mechanism of magnetic field expulsion in astrophysical systems. It is often invoked, e.g., in the context of the solar interior. Here, we revisit a problem introduc`ed by Gilman: the short-wavelength linear stability of a plane layer of compressible isothermal and weakly diffusive fluid permeated by a horizontal magnetic field of strength decreasing with height. In this physical setting, we investigate the effect of weak resistivity and weak thermal conductivity on the short-wavelength perturbations, localized in the vertical direction, and show that the presence of diffusion allows to establish the wavelength of the most unstable mode, undetermined in an ideal fluid. When diffusive effects are neglected, the perturbations are amplified at a rate that monotonically increases as the wavelength tends to zero. We demonstrate that, when the resistivity and thermal conduction are introduced, the wavelength of the most unstable perturbation is established and its scaling law with the diffusion parameters depends on gradients of the mean magnetic field, temperature, and density. Three main dynamical regimes are identified, with the wavelength of the most unstable mode scaling as either λ /d∼ {{ \\mathcal U }}κ 3/5 or λ /d∼ {{ \\mathcal U }}κ 3/4 or λ /d∼ {{ \\mathcal U }}κ 1/3, where d is the layer thickness and {{ \\mathcal U }}κ is the ratio of the characteristic thermal diffusion velocity scale to the free-fall velocity. Our analytic results are backed up by a series of numerical solutions. The two-dimensional interchange modes are shown to dominate over three-dimensional ones when the magnetic field and/or temperature gradients are strong enough.

Estimates of advection and diffusion in the Potomac estuary

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

Elliott, A.J.

1976-01-01

A two-layered dispersion model, suitable for application to partially-mixed estuaries, has been developed to provide hydrological interpretation of the results of biological sampling. The model includes horizontal and vertical advection plus both horizontal and vertical diffusion. A pseudo-geostrophic method, which includes a damping factor to account for internal eddy friction, is used to estimate the horizontal advective fluxes and the results are compared with field observations. A salt balance model is then used to estimate the effective diffusivities in the Potomac estuary during the Spring of 1974.

Cross-diffusive effects on the onset of double-diffusive convection in a horizontal saturated porous fluid layer heated and salted from above

NASA Astrophysics Data System (ADS)

Rajib, Basu; C. Layek, G.

2013-05-01

Double-diffusive stationary and oscillatory instabilities at the marginal state in a saturated porous horizontal fluid layer heated and salted from above are investigated theoretically under the Darcy's framework for a porous medium. The contributions of Soret and Dufour coefficients are taken into account in the analysis. Linear stability analysis shows that the critical value of the Darcy—Rayleigh number depends on cross-diffusive parameters at marginally stationary convection, while the marginal state characterized by oscillatory convection does not depend on the cross-diffusion terms even if the condition and frequency of oscillatory convection depends on the cross-diffusive parameters. The critical value of the Darcy—Rayleigh number increases with increasing value of the solutal Darcy—Rayleigh number in the absence of cross-diffusive parameters. The critical Darcy—Rayleigh number decreases with increasing Soret number, resulting in destabilization of the system, while its value increases with increasing Dufour number, resulting in stabilization of the system at the marginal state characterized by stationary convection. The analysis reveals that the Dufour and Soret parameters as well as the porosity parameter play an important role in deciding the type of instability at the onset. This analysis also indicates that the stationary convection is followed by the oscillatory convection for certain fluid mixtures. It is interesting to note that the roles of cross-diffusive parameters on the double-diffusive system heated and salted from above are reciprocal to the double-diffusive system heated and salted from below.

Ge auto-doping and out-diffusion in InGaP grown on Ge substrate and their effects on the ordering of InGaP

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

Wu, Hong-Ming; Ho, Hao-I; Tsai, Shi-Jane

2016-03-21

We report on the Ge auto-doping and out-diffusion in InGaP epilayer with Cu-Pt ordering grown on 4-in. Ge substrate. Ge profiles determined from secondary ion mass spectrometry indicate that the Ge out-diffusion depth is within 100 nm. However, the edge of the wafer suffers from stronger Ge gas-phase auto-doping than the center, leading to ordering deterioration in the InGaP epilayer. In the edge, we observed a residual Cu-Pt ordering layer left beneath the surface, suggesting that the ordering deterioration takes place after the deposition rather than during the deposition and In/Ga inter-diffusion enhanced by Ge vapor-phase auto-doping is responsible for themore » deterioration. We thus propose a di-vacancy diffusion model, in which the amphoteric Ge increases the di-vacancy density, resulting in a Ge density dependent diffusion. In the model, the In/Ga inter-diffusion and Ge out-diffusion are realized by the random hopping of In/Ga host atoms and Ge atoms to di-vacancies, respectively. Simulation based on this model well fits the Ge out-diffusion profiles, suggesting its validity. By comparing the Ge diffusion coefficient obtained from the fitting and the characteristic time constant of ordering deterioration estimated from the residual ordering layer, we found that the hopping rates of Ge and the host atoms are in the same order of magnitude, indicating that di-vacancies are bound in the vicinity of Ge atoms.« less

Effect of Plasma Nitriding and Nitrocarburizing on HVOF-Sprayed Stainless Steel Coatings

NASA Astrophysics Data System (ADS)

Park, Gayoung; Bae, Gyuyeol; Moon, Kyungil; Lee, Changhee

2013-12-01

In this work, the effects of plasma nitriding (PN) and nitrocarburizing on HVOF-sprayed stainless steel nitride layers were investigated. 316 (austenitic), 17-4PH (precipitation hardening), and 410 (martensitic) stainless steels were plasma-nitrided and nitrocarburized using a N2 + H2 gas mixture and the gas mixture containing C2H2, respectively, at 550 °C. The results showed that the PN and nitrocarburizing produced a relatively thick nitrided layer consisting of a compound layer and an adjacent nitrogen diffusion layer depending on the crystal structures of the HVOF-sprayed stainless steel coatings. Also, the diffusion depth of nitrogen increased when a small amount of C2H2 (plasma nitrocarburizing process) was added. The PN and nitrocarburizing resulted in not only an increase of the surface hardness, but also improvement of the load bearing capacity of the HVOF-sprayed stainless steel coatings because of the formation of CrN, Fe3N, and Fe4N phases. Also, the plasma-nitrocarburized HVOF-sprayed 410 stainless steel had a superior surface microhardness and load bearing capacity due to the formation of Cr23C6 on the surface.

Ultrafast demagnetization by hot electrons: Diffusion or super-diffusion?

PubMed

Salvatella, G; Gort, R; Bühlmann, K; Däster, S; Vaterlaus, A; Acremann, Y

2016-09-01

Ultrafast demagnetization of ferromagnetic metals can be achieved by a heat pulse propagating in the electron gas of a non-magnetic metal layer, which absorbs a pump laser pulse. Demagnetization by electronic heating is investigated on samples with different thicknesses of the absorber layer on nickel. This allows us to separate the contribution of thermalized hot electrons compared to non-thermal electrons. An analytical model describes the demagnetization amplitude as a function of the absorber thickness. The observed change of demagnetization time can be reproduced by diffusive heat transport through the absorber layer.

Effect of different analyte diffusion/adsorption protocols on SERS signals

NASA Astrophysics Data System (ADS)

Li, Ruoping; Petschek, Rolfe G.; Han, Junhe; Huang, Mingju

2018-07-01

The effect of different analyte diffusion/adsorption protocols was studied which is often overlooked in surface-enhanced Raman scattering (SERS) technique. Three protocols: highly concentrated dilution (HCD) protocol, half-half dilution (HHD) protocol and layered adsorption (LA) protocol were studied and the SERS substrates were monolayer films of 80 nm Ag nanoparticles (NPs) which were modified by polyvinylpyrrolidone. The diffusion/adsorption mechanisms were modelled using the diffusion equation and the electromagnetic field distribution of two adjacent Ag NPs was simulated by the finite-different time-domain method. All experimental data and theoretical analysis suggest that different diffusion/adsorption behaviour of analytes will cause different SERS signal enhancements. HHD protocol could produce the most uniform and reproducible samples, and the corresponding signal intensity of the analyte is the strongest. This study will help to understand and promote the use of SERS technique in quantitative analysis.

A study of interdiffusion in beta + gamma/gamma + gamma prime Ni-Cr-Al. M.S. Thesis. Final Report

NASA Technical Reports Server (NTRS)

Carol, L. A.

1985-01-01

Ternary diffusion in the NiCrAl system at 1200 C was studied with beta + gamma/gamma + gamma prime infinite diffusion couples. Interdiffusion resulted in the formation of complex, multiphase diffusion zones. Concentration/distance profiles for Cr and Al in the phases present in the diffusion zone were measured after 200 hr. The Ni-rich portion of the NiCrAl phase diagram (1200 C) was also determined. From these data, bulk Cr and Al profiles were calculated and translated to diffusion paths on the ternary isotherm. Growth layer kinetics of the layers present in the diffusion zone were also measured.

Scaling Law for Cross-stream Diffusion in Microchannels under Combined Electroosmotic and Pressure Driven Flow.

PubMed

Song, Hongjun; Wang, Yi; Pant, Kapil

2013-01-01

This paper presents an analytical study of the cross-stream diffusion of an analyte in a rectangular microchannel under combined electroosmotic flow (EOF) and pressure driven flow to investigate the heterogeneous transport behavior and spatially-dependent diffusion scaling law. An analytical model capable of accurately describing 3D steady-state convection-diffusion in microchannels with arbitrary aspect ratios is developed based on the assumption of the thin Electric Double Layer (EDL). The model is verified against high-fidelity numerical simulation in terms of flow velocity and analyte concentration profiles with excellent agreement (<0.5% relative error). An extensive parametric analysis is then undertaken to interrogate the effect of the combined flow velocity field on the transport behavior in both the positive pressure gradient (PPG) and negative pressure gradient (NPG) cases. For the first time, the evolution from the spindle-shaped concentration profile in the PPG case, via the stripe-shaped profile (pure EOF), and finally to the butterfly-shaped profile in the PPG case is obtained using the analytical model along with a quantitative depiction of the spatially-dependent diffusion layer thickness and scaling law across a wide range of the parameter space.

Scaling Law for Cross-stream Diffusion in Microchannels under Combined Electroosmotic and Pressure Driven Flow

PubMed Central

Song, Hongjun; Wang, Yi; Pant, Kapil

2012-01-01

This paper presents an analytical study of the cross-stream diffusion of an analyte in a rectangular microchannel under combined electroosmotic flow (EOF) and pressure driven flow to investigate the heterogeneous transport behavior and spatially-dependent diffusion scaling law. An analytical model capable of accurately describing 3D steady-state convection-diffusion in microchannels with arbitrary aspect ratios is developed based on the assumption of the thin Electric Double Layer (EDL). The model is verified against high-fidelity numerical simulation in terms of flow velocity and analyte concentration profiles with excellent agreement (<0.5% relative error). An extensive parametric analysis is then undertaken to interrogate the effect of the combined flow velocity field on the transport behavior in both the positive pressure gradient (PPG) and negative pressure gradient (NPG) cases. For the first time, the evolution from the spindle-shaped concentration profile in the PPG case, via the stripe-shaped profile (pure EOF), and finally to the butterfly-shaped profile in the PPG case is obtained using the analytical model along with a quantitative depiction of the spatially-dependent diffusion layer thickness and scaling law across a wide range of the parameter space. PMID:23554584

Laser induced Te diffusion in amorphous As50Se50 thin films probed by FTIR and XPS

NASA Astrophysics Data System (ADS)

Behera, Mukta; Panda, Rozalin; Naik, Ramakanta

2017-05-01

In the present report, we have demonstrated the combine effect of deposition and photo diffusion of Te into As50Se50 chalcogenide thin films. The influence of Te deposition onto As50Se50 layer has modified the optical parameters. The thermally evaporated Te/As50Se50 bilayer film is irradiated with near bandgap laser light. The optical and structural property of Te/As50Se50 bilayer film under the influence of laser irradiation has been investigated by X-ray photo electron spectroscopy and Fourier transform infrared spectroscopy. The As3d, Se3d and Te4d core level peaks of the photo diffused film show significant changes in shape and position in comparisons with those obtained for non irradiated films. The extensive analysis by deconvoluting the spectra shows the Te diffusion into As50Se50 matrix by forming Te-As-Se layer. The optical band gap of the diffused region is found to be decreased with the increase of density of states in the band edge. The change in transmissivity and absorption coefficient modified the optical constants which is discussed in the light of the present result.

Refractive Index Effects on Radiation in an Absorbing, Emitting, and Scattering Laminated Layer

NASA Technical Reports Server (NTRS)

Siegel, R.; Spuckler, C. M.

1993-01-01

A simple set of equations is derived for predicting temperature radiative energy flow in a two-region semitransparent laminated layer in the limit of zero heat conduction. The composite is heated on its two sides by unequal amounts of incident radiation. The two layers of the composite have different refractive indices, and each material absorbs, emits, and isotropically scatters radiation. The interfaces are diffuse, and all interface reflections are included. To illustrate the thermal behavior that is readily calculated from the equations, typical results an given for various optical thicknesses and refractive indices of the layers. Internal reflections have a substantial effect on the temperature distribution and radiative heat flow.

The diffusive boundary layer of sediments: oxygen microgradients over a microbial mat

NASA Technical Reports Server (NTRS)

Jorgensen, B. B.; Des Marais, D. J.

1990-01-01

Oxygen microelectrodes were used to analyze the distribution of the diffusive boundary layer (DBL) at the sediment-water interface in relation to surface topography and flow velocity. The sediment, collected from saline ponds, was covered by a microbial mat that had high oxygen consumption rate and well-defined surface structure. Diffusion through the DBL constituted an important rate limitation to the oxygen uptake of the sediment. The mean effective DBL thickness decreased from 0.59 to 0.16 mm as the flow velocity of the overlying water was increased from 0.3 to 7.7 cm s-1 (measured 1 cm above the mat). The oxygen uptake rate concurrently increased from 3.9 to 9.4 nmol cm-2 min-1. The effects of surface roughness and topography on the thickness and distribution of the DBL were studied by three-dimensional mapping of the sediment-water interface and the upper DBL boundary at 0.1-mm spatial resolution. The DBL boundary followed mat structures that had characteristic dimensions > 1/2 DBL thickness but the DBL had a dampened relief relative to the mat. The effective surface area of the sediment-water interface and of the upper DBL boundary were 31 and 14% larger, respectively, than a flat plane. Surface topography thereby increased the oxygen flux across the sediment-water interface by 49% relative to a one-dimensional diffusion flux calculated from the vertical oxygen microgradients.

Measurement of Small Molecular Dopant F4TCNQ and C 60F 36 Diffusion in Organic Bilayer Architectures

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

Li, Jun; Rochester, Chris W.; Jacobs, Ian E.

2015-12-03

The diffusion of molecules through and between organic layers is a serious stability concern in organic electronic devices. In this paper, the temperature-dependent diffusion of molecular dopants through small molecule hole transport layers is observed. Specifically we investigate bilayer stacks of small molecules used for hole transport (MeO-TPD) and p-type dopants (F4TCNQ and C 60F 36) used in hole injection layers for organic light emitting diodes and hole collection electrodes for organic photovoltaics. With the use of absorbance spectroscopy, photoluminescence spectroscopy, neutron reflectometry, and near-edge X-ray absorption fine structure spectroscopy, we are able to obtain a comprehensive picture of themore » diffusion of fluorinated small molecules through MeO-TPD layers. F4TCNQ spontaneously diffuses into the MeO-TPD material even at room temperature, while C 60F 36, a much bulkier molecule, is shown to have a substantially higher morphological stability. Finally, this study highlights that the differences in size/geometry and thermal properties of small molecular dopants can have a significant impact on their diffusion in organic device architectures.« less

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.

The influence of radiation-induced vacancy on the formation of thin-film of compound layer during a reactive diffusion process

NASA Astrophysics Data System (ADS)

Akintunde, S. O.; Selyshchev, P. A.

2016-05-01

A theoretical approach is developed that describes the formation of a thin-film of AB-compound layer under the influence of radiation-induced vacancy. The AB-compound layer is formed as a result of a chemical reaction between the atomic species of A and B immiscible layers. The two layers are irradiated with a beam of energetic particles and this process leads to several vacant lattice sites creation in both layers due to the displacement of lattice atoms by irradiating particles. A- and B-atoms diffuse via these lattice sites by means of a vacancy mechanism in considerable amount to reaction interfaces A/AB and AB/B. The reaction interfaces increase in thickness as a result of chemical transformation between the diffusing species and surface atoms (near both layers). The compound layer formation occurs in two stages. The first stage begins as an interfacial reaction controlled process, and the second as a diffusion controlled process. The critical thickness and time are determined at a transition point between the two stages. The influence of radiation-induced vacancy on layer thickness, speed of growth, and reaction rate is investigated under irradiation within the framework of the model presented here. The result obtained shows that the layer thickness, speed of growth, and reaction rate increase strongly as the defect generation rate rises in the irradiated layers. It also shows the feasibility of producing a compound layer (especially in near-noble metal silicide considered in this study) at a temperature below their normal formation temperature under the influence of radiation.

Materials science in pre-plated leadframes for electronic packages

NASA Astrophysics Data System (ADS)

Liu, Lilin

Au/Pd/Ni pre-plated leadframes (PPF) are high performance frames for accommodating high-end electronic packages. Cost and reliability are major concerns in their wide application. The present work, from a materials science point view, deepens the understanding of PPFs, optimizes the conventional PPFs, develops a novel PPF architecture and models the residual stress relaxation in heteroepitaxial thin films. The wire pull test, the solderability test, and High-Resolution Transmission Electron Microscopy (HRTEM) were employed to characterize the PPFs in order to understand the relationship between performance and microstructure. We optimized the electroplating profiles and determined the minimum thickness of the Pd layer with the PPF performance satisfying the industry standards. Further increasing the Pd layer thickness beyond the critical thickness will not enhance the performance more, but increase the product cost. With the optimized electroplating profile, the electroplated Au layer is epitaxially deposited on the Pd layer, and so does the Pd layer on the Ni layer. Misfit dislocations and nanotwins are present at the interface between the Pd and Ni layers, which are generated to release the about 10.4% misfit strain between the Pd and Ni lattices. This work demonstrates that the electro-deposition technique can electroplate epitaxy-like Pd films on the highly (200) textured Ni films, which are grown on the Cu substrates. A novel technique for impeding Cu out-diffusion in Cu alloy based pre-plated leadframes was developed by electroplating a 3-4 nm thick Sn layer on a Cu alloy base prior to electroplating a Ni layer. A 10-14 nm thick epitaxy-like and dense (Cu,Ni)3Sn intermetallic compound (IMC) layer is automatically formed en route of diffuse reaction, which leads to a drastic reduction in Cu out-diffusion and hence improves significantly the protection of the leadframes against oxidation and corrosion attack. The oxidation behaviours were quantified by Electron Diffraction X-ray (EX) incorporated in Scanning Electron Microscopy (SEM) in the present work, which is a good complementary to the traditional weight gain test by a balance. A diffusion/oxidation model was developed to estimate the effective diffusion coefficient of Cu in the formed IMC nanolayers. The estimated Cu diffusion coefficient in the IMC interlayer is about 1.6x10 -22m2/s at 250°C, which is around 7~11 orders lower than the interdiffusion coefficients for eta- Cu6Sn5 and epsilon- Cu3Sn phases at corresponding temperatures. Based on the dislocation theory of twinning, analytical solutions by using the hybrid superposition and Fourier transformation approach were derived for the calculation of various energies involved in the misfit twinning process. For a given epilayer thickness and lattice mismatch strain, the twin formation energy should reach its minimum to determine the twin width and a zero minimum formation energy determines the critical thickness for misfit twinning. The effect of elastic mismatch between the epilayer and the substrate on the critical thickness was studied comprehensively, revealing that an elastically soft epilayer has a large critical thickness. Moreover, a misfit-twin-and-perfect-dislocation predominance chart is constructed to predict the predominant regions of misfit twinning and perfect dislocation in the mismatch strain and the specific twin boundary energy domain. Multiple misfit twins in epilayer/substrate systems were studied by summing up the stress and displacement fields of individual twins. In principle, the energy minimization approach can be applied to multiple misfit twins, although only periodic arrays of parallel and alternating twins were investigated here in detail. The equilibrium twin width and equilibrium twin spacing of a periodic array of twins represent the misfit twin morphology. The theoretical results indicate that the difference in elastic constants between an epilayer and its substrate has great effects on the morphology of equilibrium twins. The theoretical predictions agree with experimental observations.

An investigation of light transport through scattering bodies with non-scattering regions.

PubMed

Firbank, M; Arridge, S R; Schweiger, M; Delpy, D T

1996-04-01

Near-infra-red (NIR) spectroscopy is increasingly being used for monitoring cerebral oxygenation and haemodynamics. One current concern is the effect of the clear cerebrospinal fluid upon the distribution of light in the head. There are difficulties in modelling clear layers in scattering systems. The Monte Carlo model should handle clear regions accurately, but is too slow to be used for realistic geometries. The diffusion equation can be solved quickly for realistic geometries, but is only valid in scattering regions. In this paper we describe experiments carried out on a solid slab phantom to investigate the effect of clear regions. The experimental results were compared with the different models of light propagation. We found that the presence of a clear layer had a significant effect upon the light distribution, which was modelled correctly by Monte Carlo techniques, but not by diffusion theory. A novel approach to calculating the light transport was developed, using diffusion theory to analyze the scattering regions combined with a radiosity approach to analyze the propagation through the clear region. Results from this approach were found to agree with both the Monte Carlo and experimental data.

Frictional and structural characterization of ion-nitrided low and high chromium steels

NASA Technical Reports Server (NTRS)

Spalvins, T.

1985-01-01

Low Cr steels AISI 41410, AISI 4340, and high Cr austenitic stainless steels AISI 304, AISI 316 were ion nitrided in a dc glow discharge plasma consisting of a 75 percent H2 - 25 percent N2 mixture. Surface compound layer phases were identified, and compound layer microhardness and diffusion zone microhardness profiles were established. Distinct differences in surface compound layer hardness and diffusion zone profiles were determined between the low and high Cr alloy steels. The high Cr stainless steels after ion nitriding displayed a hard compound layer and an abrupt diffusion zone. The compound layers of the high Cr stainless steels had a columnar structure which accounts for brittleness when layers are exposed to contact stresses. The ion nitrided surfaces of high and low Cr steels displayed a low coefficient of friction with respect to the untreated surfaces when examined in a pin and disk tribotester.

Effect of molecular exchange on water droplet size analysis as determined by diffusion NMR: The W/O/W double emulsion case.

PubMed

Vermeir, Lien; Sabatino, Paolo; Balcaen, Mathieu; Declerck, Arnout; Dewettinck, Koen; Martins, José C; Guthausen, Gisela; Van der Meeren, Paul

2016-08-01

The accuracy of the inner water droplet size determination of W/O/W emulsions upon water diffusion measurement by diffusion NMR was evaluated. The resulting droplet size data were compared to the results acquired from the diffusion measurement of a highly water soluble marker compound with low permeability in the oil layer of a W/O/W emulsion, which provide a closer representation of the actual droplet size. Differences in droplet size data obtained from water and the marker were ascribed to extra-droplet water diffusion. The diffusion data of the tetramethylammonium cation marker were measured using high-resolution pulsed field gradient NMR, whereas the water diffusion was measured using both low-resolution and high-resolution NMR. Different data analysis procedures were evaluated to correct for the effect of extra-droplet water diffusion on the accuracy of water droplet size analysis. Using the water diffusion data, the use of a low measurement temperature and diffusion delay Δ could reduce the droplet size overestimation resulting from extra-droplet water diffusion, but this undesirable effect was inevitable. Detailed analysis of the diffusion data revealed that the extra-droplet diffusion effect was due to an exchange between the inner water phase and the oil phase, rather than by exchange between the internal and external aqueous phase. A promising data analysis procedure for retrieving reliable size data consisted of the application of Einstein's diffusion law to the experimentally determined diffusion distances. This simple procedure allowed determining the inner water droplet size of W/O/W emulsions upon measurement of water diffusion by low-resolution NMR at or even above room temperature. Copyright © 2016 Elsevier Inc. All rights reserved.

Thermal conductivity of III-V semiconductor superlattices

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

Mei, S., E-mail: song.mei@wisc.edu; Knezevic, I., E-mail: irena.knezevic@wisc.edu

2015-11-07

This paper presents a semiclassical model for the anisotropic thermal transport in III-V semiconductor superlattices (SLs). An effective interface rms roughness is the only adjustable parameter. Thermal transport inside a layer is described by the Boltzmann transport equation in the relaxation time approximation and is affected by the relevant scattering mechanisms (three-phonon, mass-difference, and dopant and electron scattering of phonons), as well as by diffuse scattering from the interfaces captured via an effective interface scattering rate. The in-plane thermal conductivity is obtained from the layer conductivities connected in parallel. The cross-plane thermal conductivity is calculated from the layer thermal conductivitiesmore » in series with one another and with thermal boundary resistances (TBRs) associated with each interface; the TBRs dominate cross-plane transport. The TBR of each interface is calculated from the transmission coefficient obtained by interpolating between the acoustic mismatch model (AMM) and the diffuse mismatch model (DMM), where the weight of the AMM transmission coefficient is the same wavelength-dependent specularity parameter related to the effective interface rms roughness that is commonly used to describe diffuse interface scattering. The model is applied to multiple III-arsenide superlattices, and the results are in very good agreement with experimental findings. The method is both simple and accurate, easy to implement, and applicable to complicated SL systems, such as the active regions of quantum cascade lasers. It is also valid for other SL material systems with high-quality interfaces and predominantly incoherent phonon transport.« less

Experiments on tandem diffusers with boundary-layer suction applied in between

NASA Technical Reports Server (NTRS)

Barna, P. S.

1979-01-01

Experiments were performed on conical diffusers of various configurations with the same, but rather unusually large, 16:1 area ratio. Because available performance data on diffusers fall short of very large area ratio configurations, an unconventional design, consisting of two diffusers following each other in tandem, was proposed. Both diffusers had the same area ratio of 4:1, but had different taper angles. While for the first diffuser (called leading) the angle remained constant, for the second (called follower), the taper angle was stepped up to higher values. Boundary layer control, by way of suction, was applied between the diffusers, and a single slot suction ring was inserted between them. The leading diffuser had an enclosed nominal divergence angle 2 theta = 5 degrees, while the follower diffusers had either 10, 20, 30, or 40 degrees, respectively, giving 4 combinations. The experiments were performed at four different Reynolds numbers with various suction rates. The rates indicate a general improvement in the performance of all diffusers with boundary layer suction. It appears that the improvement of the pressure recovery depends on both the Reynolds number and the suction rate, and the largest increase, 0.075, was found at the lowest R sub e when the follower divergence was 2 theta = 40 degrees.

Oxygen-Barrier Coating for Titanium

NASA Technical Reports Server (NTRS)

Clark, Ronald K.; Unnam, Jalaiah

1987-01-01

Oxygen-barrier coating for titanium developed to provide effective and low-cost means for protecting titanium alloys from oxygen in environment when alloys used in high-temperature mechanical or structural applications. Provides protective surface layer, which reduces extent of surface oxidation of alloy and forms barrier to diffusion of oxygen, limiting contamination of substrate alloy by oxygen. Consists of submicron layer of aluminum deposited on surface of titanium by electron-beam evaporation, with submicron layer of dioxide sputtered onto aluminum to form coat.

A charge carrier transport model for donor-acceptor blend layers

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

Fischer, Janine, E-mail: janine.fischer@iapp.de; Widmer, Johannes; Koerner, Christian

2015-01-28

Highly efficient organic solar cells typically comprise donor-acceptor blend layers facilitating effective splitting of excitons. However, the charge carrier mobility in the blends can be substantially smaller than in neat materials, hampering the device performance. Currently, available mobility models do not describe the transport in blend layers entirely. Here, we investigate hole transport in a model blend system consisting of the small molecule donor zinc phthalocyanine (ZnPc) and the acceptor fullerene C{sub 60} in different mixing ratios. The blend layer is sandwiched between p-doped organic injection layers, which prevent minority charge carrier injection and enable exploiting diffusion currents for themore » characterization of exponential tail states from a thickness variation of the blend layer using numerical drift-diffusion simulations. Trap-assisted recombination must be considered to correctly model the conductivity behavior of the devices, which are influenced by local electron currents in the active layer, even though the active layer is sandwiched in between p-doped contacts. We find that the density of deep tail states is largest in the devices with 1:1 mixing ratio (E{sub t} = 0.14 eV, N{sub t} = 1.2 × 10{sup 18 }cm{sup −3}) directing towards lattice disorder as the transport limiting process. A combined field and charge carrier density dependent mobility model are developed for this blend layer.« less

Percutaneous absorption

PubMed Central

Brisson, Paul

1974-01-01

Clinical effectiveness of topically applied medications depends on the ability of the active ingredient to leave its vehicle and penetrate into the epidermis. The stratum corneum is that layer of the epidermis which functionally is the most important in limiting percutaneous absorption, showing the characteristics of a composite semipermeable membrane. A mathematical expression of transepidermal diffusion may be derived from Fick's Law of mass transport; factors altering the rate of diffusion are discussed. PMID:4597976

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.

High-velocity DC-VPS for diffusion and protecting barrier layers in solid oxide fuel cells (SOFCs)

NASA Astrophysics Data System (ADS)

Henne, R. H.; Franco, T.; Ruckdäschel, R.

2006-12-01

High-temperature fuel cells of the solid oxide fuel cell (SOFC) type as direct converter of chemical into electrical energy show a high potential for reducing considerably the specific energy consumption in different application fields. Of particular interest are advanced lightweight planar cells for electricity supply units in cars and other mobile systems. Such cells, in one new design, consist mainly of metallic parts, for example, of ferrite steels. These cells shall operate in the temperature range of 700 to 800 °C where oxidation and diffusion processes can be of detrimental effect on cell performance for long-term operation. Problems arise in particular by diffusion of chromium species from the interconnect or the cell containment into the electrolyte/cathode interface forming insulating phases and by the mutual diffusion of substrate and anode material, for example, iron and chromium from the ferrite into the anode and nickel from the anode into the ferrite, which in both cases reduces performance and system lifetime. Additional intermediate layers of perovskite-type material, (e.g., doped LaCrO3) applied with high-velocity direct-current vacuum plasma spraying (DC-VPS) can reduce such effects considerably if they are stable and of high electronic conductivity.

Thin Layer Drying Kinetics of By-Products from Olive Oil Processing

PubMed Central

Montero, Irene; Miranda, Teresa; Arranz, Jose Ignacio; Rojas, Carmen Victoria

2011-01-01

The thin-layer behavior of by-products from olive oil production was determined in a solar dryer in passive and active operation modes for a temperature range of 20–50 °C. The increase in the air temperature reduced the drying time of olive pomace, sludge and olive mill wastewater. Moisture ratio was analyzed to obtain effective diffusivity values, varying in the oil mill by-products from 9.136 × 10−11 to 1.406 × 10−9 m2/s in forced convection (ma = 0.22 kg/s), and from 9.296 × 10−11 to 6.277 × 10−10 m2/s in natural convection (ma = 0.042 kg/s). Diffusivity values at each temperature were obtained using the Fick’s diffusion model and, regardless of the convection, they increased with the air temperature. The temperature dependence on the effective diffusivity was determined by an Arrhenius type relationship. The activation energies were found to be 38.64 kJ/mol, 30.44 kJ/mol and 47.64 kJ/mol for the olive pomace, the sludge and the olive mill wastewater in active mode, respectively, and 91.35 kJ/mol, 14.04 kJ/mol and 77.15 kJ/mol in natural mode, in that order. PMID:22174639

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

Effects of spatial variation of skull and cerebrospinal fluid layers on optical mapping of brain activities

NASA Astrophysics Data System (ADS)

Wang, Shuping; Shibahara, Nanae; Kuramashi, Daishi; Okawa, Shinpei; Kakuta, Naoto; Okada, Eiji; Maki, Atsushi; Yamada, Yukio

2010-07-01

In order to investigate the effects of anatomical variation in human heads on the optical mapping of brain activity, we perform simulations of optical mapping by solving the photon diffusion equation for layered-models simulating human heads using the finite element method (FEM). Particularly, the effects of the spatial variations in the thicknesses of the skull and cerebrospinal fluid (CSF) layers on mapping images are investigated. Mapping images of single active regions in the gray matter layer are affected by the spatial variations in the skull and CSF layer thicknesses, although the effects are smaller than those of the positions of the active region relative to the data points. The increase in the skull thickness decreases the sensitivity of the images to active regions, while the increase in the CSF layer thickness increases the sensitivity in general. The images of multiple active regions are also influenced by their positions relative to the data points and by their depths from the skin surface.

Quantifying residual, eddy, and mean flow effects on mixing in an idealized circumpolar current

DOE PAGES

Wolfram, Phillip J.; Ringler, Todd D.

2017-07-13

Meridional diffusivity is assessed in this paper for a baroclinically unstable jet in a high-latitudeIdealized Circumpolar Current (ICC) using the Model for Prediction Across Scales-Ocean (MPAS-O) and the online Lagrangian In-situ Global High-performance particle Tracking (LIGHT) diagnostic via space-time dispersion of particle clusters over 120 monthly realizations of O(10 6) particles on 11 potential density surfaces. Diffusivity in the jet reaches values of O(6000 m 2 s -1) and is largest near the critical layer supporting mixing suppression and critical layer theory. Values in the vicinity of the shelf break are suppressed to O(100 m 2 s -1) due tomore » the presence of westward slope front currents. Diffusivity attenuates less rapidly with depth in the jet than both eddy velocity and kinetic energy scalings would suggest. Removal of the mean flow via high-pass filtering shifts the nonlinear parameter (ratio of the eddy velocity to eddy phase speed) into the linear wave regime by increasing the eddy phase speed via the depth-mean flow. Low-pass filtering, in contrast, quantifies the effect of mean shear. Diffusivity is decomposed into mean flow shear, linear waves, and the residual nonhomogeneous turbulence components, where turbulence dominates and eddy-produced filamentation strained by background mean shear enhances mixing, accounting for ≥ 80% of the total diffusivity relative to mean shear [O(100 m 2 s -1)], linear waves [O(1000 m 2 s -1)], and undecomposed full diffusivity [O(6000 m 2 s -1)]. Finally, diffusivity parameterizations accounting for both the nonhomogeneous turbulence residual and depth variability are needed.« less

A solution-processed quaternary oxide system obtained at low-temperature using a vertical diffusion technique

PubMed Central

Yoon, Seokhyun; Kim, Si Joon; Tak, Young Jun; Kim, Hyun Jae

2017-01-01

We report a method for fabricating solution-processed quaternary In-Ga-Zn-O (IGZO) thin-film transistors (TFTs) at low annealing temperatures using a vertical diffusion technique (VDT). The VDT is a deposition process for spin-coating binary and ternary oxide layers consecutively and annealing at once. With the VDT, uniform and dense quaternary oxide layers were fabricated at lower temperatures (280 °C). Compared to conventional IGZO and ternary In-Zn-O (IZO) thin films, VDT IGZO thin film had higher density of the metal-oxide bonds and lower density of the oxygen vacancies. The field-effect mobility of VDT IGZO TFT increased three times with an improved stability under positive bias stress than IZO TFT due to the reduction in oxygen vacancies. Therefore, the VDT process is a simple method that reduces the processing temperature without any additional treatment for quaternary oxide semiconductors with uniform layers. PMID:28230088

A solution-processed quaternary oxide system obtained at low-temperature using a vertical diffusion technique

NASA Astrophysics Data System (ADS)

Yoon, Seokhyun; Kim, Si Joon; Tak, Young Jun; Kim, Hyun Jae

2017-02-01

We report a method for fabricating solution-processed quaternary In-Ga-Zn-O (IGZO) thin-film transistors (TFTs) at low annealing temperatures using a vertical diffusion technique (VDT). The VDT is a deposition process for spin-coating binary and ternary oxide layers consecutively and annealing at once. With the VDT, uniform and dense quaternary oxide layers were fabricated at lower temperatures (280 °C). Compared to conventional IGZO and ternary In-Zn-O (IZO) thin films, VDT IGZO thin film had higher density of the metal-oxide bonds and lower density of the oxygen vacancies. The field-effect mobility of VDT IGZO TFT increased three times with an improved stability under positive bias stress than IZO TFT due to the reduction in oxygen vacancies. Therefore, the VDT process is a simple method that reduces the processing temperature without any additional treatment for quaternary oxide semiconductors with uniform layers.

A solution-processed quaternary oxide system obtained at low-temperature using a vertical diffusion technique.

PubMed

Yoon, Seokhyun; Kim, Si Joon; Tak, Young Jun; Kim, Hyun Jae

2017-02-23

We report a method for fabricating solution-processed quaternary In-Ga-Zn-O (IGZO) thin-film transistors (TFTs) at low annealing temperatures using a vertical diffusion technique (VDT). The VDT is a deposition process for spin-coating binary and ternary oxide layers consecutively and annealing at once. With the VDT, uniform and dense quaternary oxide layers were fabricated at lower temperatures (280 °C). Compared to conventional IGZO and ternary In-Zn-O (IZO) thin films, VDT IGZO thin film had higher density of the metal-oxide bonds and lower density of the oxygen vacancies. The field-effect mobility of VDT IGZO TFT increased three times with an improved stability under positive bias stress than IZO TFT due to the reduction in oxygen vacancies. Therefore, the VDT process is a simple method that reduces the processing temperature without any additional treatment for quaternary oxide semiconductors with uniform layers.

Controlled growth of vertically aligned carbon nanotubes on metal substrates

NASA Astrophysics Data System (ADS)

Gao, Zhaoli

Carbon nanotube (CNT) is a fascinating material with extraordinary electrical thermal and mechanical properties. Growing vertically aligned CNT (VACNT) arrays on metal substrates is an important step in bringing CNT into practical applications such as thermal interface materials (TIMs) and microelectrodes. However, the growth process is challenging due to the difficulties in preventing catalyst diffusion and controlling catalyst dewetting on metal substrates with physical surface heterogeneity. In this work, the catalyst diffusion mechanism and catalyst dewetting theory were studied for the controlled growth of VACNTs on metal substrates. The diffusion time of the catalyst, the diffusion coefficients for the catalyst in the substrate materials and the number density of catalyst nanoparticles after dewetting are identified as the key parameters, based on which three strategies are developed. Firstly, a fast-heating catalyst pretreatment strategy was used, aiming at preserving the amount of catalyst prior to CNT growth by reducing the catalyst diffusion time. The catalyst lifetime is extended from half an hour to one hour on a patterned Al thin film and a VACNT height of 106 mum, about twenty fold of that reported in the literature, was attained. Secondly, a diffusion barrier layer strategy is employed for a reduction of catalyst diffusion into the substrate materials. Enhancement of VACNT growth on Cu substrates was achieved by adopting a conformal Al2O 3 diffusion barrier layer fabricated by a specially designed atomic layer deposition (ALD) system. Lastly, a novel catalyst glancing angle deposition (GLAD) strategy is performed to manipulate the morphology of a relatively thick catalyst on metal substrates with physical surface heterogeneity, aiming to obtain uniform and dense catalyst nanoparticles after dewetting in the pretreatment process for enhanced VACNT growth. We are able to control the VACNT growth conditions on metal substrates in terms of their distribution, heights and alignments. Catalyst loss is controlled by the catalyst diffusion time and catalyst diffusion coefficients. A shorter catalyst diffusion time and smaller diffusion coefficient enhance VACNT growth on metals due to reduced catalyst loss during the pretreatment process. The dewetting behaviors of the thin film catalysts are influenced by the physical surface heterogeneity of the substrates which leads to non-uniform growth of VACNTs. The GLAD process facilitates the deposition of a relatively thick catalyst layer for the creation of dense and uniform catalyst nanoparticles. Applications of VACNT-metal structures in TIMs and microelectrodes are demonstrated. The VACNT-TIMs fabricated on Al alloy substrates have a typical thermal contact resistivity of 17.1 mm2˙K/W and their effective application in high-brightness LED thermal management was demonstrated. Electrochemical characterization was carried out on VACNT microelectrodes for the development of high resolution retinal prostheses and a satisfactory electrochemical property was again demonstrated.

Improving the Corrosion Resistance of Biodegradable Magnesium Alloys by Diffusion Coating Process

NASA Astrophysics Data System (ADS)

Levy, Galit Katarivas; Aghion, Eli

Magnesium alloys suffer from accelerated corrosion in physiological environment and hence their use as a structural material for biodegradable implants is limited. The present study focuses on a diffusion coating treatment that amplifies the beneficial effect of Neodymium on the corrosion resistance of magnesium alloys. The diffusion coating layer was obtained by applying 1 µm Nd coating on EW10X04 magnesium alloy using Electron-gun evaporator and PVD process. The coated alloy was heat treated at 350°C for 3 hours in a protective atmosphere of N2+0.2%SF6. The micro structure characteristics were evaluated by SEM, XRD, and XPS; the corrosion resistance was examined by potentiodynamic polarization and EIS analysis. The corrosion resistance of the diffusion coated alloy was significantly improved compared to the uncoated material. This was related to: (i) formation of Nd2O3 in the outer scale, (ii) integration of Nd in the MgO oxide layer, and (iii) formation of secondary phase Mg41Nd5 along the grain boundaries of α-Mg.

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

Moll, Ryan; Garaud, Pascale, E-mail: rmoll@soe.ucsc.edu

Oscillatory double-diffusive convection (ODDC, more traditionally called semiconvection) is a form of linear double-diffusive instability that occurs in fluids that are unstably stratified in temperature (Schwarzschild unstable), but stably stratified in chemical composition (Ledoux stable). This scenario is thought to be quite common in the interiors of stars and giant planets, and understanding the transport of heat and chemical species by ODDC is of great importance to stellar and planetary evolution models. Fluids unstable to ODDC have a tendency to form convective thermocompositional layers that significantly enhance the fluxes of temperature and chemical composition compared with microscopic diffusion. Although a numbermore » of recent studies have focused on studying properties of both layered and nonlayered ODDC, few have addressed how additional physical processes such as global rotation affect its dynamics. In this work, we study first how rotation affects the linear stability properties of rotating ODDC. Using direct numerical simulations, we then analyze the effect of rotation on properties of layered and nonlayered ODDC, and we study how the angle of the rotation axis with respect to the direction of gravity affects layering. We find that rotating systems can be broadly grouped into two categories based on the strength of rotation. The qualitative behavior in the more weakly rotating group is similar to nonrotating ODDC, but strongly rotating systems become dominated by vortices that are invariant in the direction of the rotation vector and strongly influence transport. We find that whenever layers form, rotation always acts to reduce thermal and compositional transport.« less

Effect of rubbing on the in vitro skin permeation of diclofenac-diethylamine 1.16% gel.

PubMed

Hasler-Nguyen, Nathalie; Fotopoulos, Grigorios

2012-06-21

Rubbing a topical NSAID (non steroidal anti-inflammatory drug) on the skin may increase local drug permeation, affecting its distribution to the site of pain and inflammation. The present study evaluates this hypothesis, by assessing in vitro the effect on skin permeation of applying diclofenac-dieythylamine 1.16% gel with or without rubbing. A single dose of 5 mg/cm2 diclofenac-diethylamine 1.16% gel was applied on excised human skin mounted in Franz-type diffusion cells without or with rubbing for 45 s. Drug penetration into the skin layers was determined after 1 h using the tape stripping technique. In vitro cutaneous permeation into the receptor fluid of the diffusion chamber was measured up to 24 h. Skin electrical resistance was also recorded. Application of diclofenac-diethylamine 1.16% gel with rubbing resulted to a 5-fold higher flux of diclofenac through the skin than when applied without rubbing at 8 h (P = 0.04). Skin rubbing for 45 s decreased by 2-fold skin electrical resistance when compared to the standard application. Application of diclofenac-diethylamine 1.16% gel with rubbing tended to result in higher accumulation in the stripped skin vs. the superficial skin layers when applied without rubbing (P = 0.2). These results suggest that rubbing may alter the superficial skin layer resulting in a transient faster initial diffusion of topically applied diclofenac through the stratum corneum into the deeper skin layer of the dermis to the tissue target.

Effect of rubbing on the in vitro skin permeation of diclofenac-diethylamine 1.16% gel

PubMed Central

2012-01-01

Background Rubbing a topical NSAID (non steroidal anti-inflammatory drug) on the skin may increase local drug permeation, affecting its distribution to the site of pain and inflammation. The present study evaluates this hypothesis, by assessing in vitro the effect on skin permeation of applying diclofenac-dieythylamine 1.16% gel with or without rubbing. Methods A single dose of 5 mg/cm2 diclofenac-diethylamine 1.16% gel was applied on excised human skin mounted in Franz-type diffusion cells without or with rubbing for 45 s. Drug penetration into the skin layers was determined after 1 h using the tape stripping technique. In vitro cutaneous permeation into the receptor fluid of the diffusion chamber was measured up to 24 h. Skin electrical resistance was also recorded. Results Application of diclofenac-diethylamine 1.16% gel with rubbing resulted to a 5-fold higher flux of diclofenac through the skin than when applied without rubbing at 8 h (P = 0.04). Skin rubbing for 45 s decreased by 2-fold skin electrical resistance when compared to the standard application. Application of diclofenac-diethylamine 1.16% gel with rubbing tended to result in higher accumulation in the stripped skin vs. the superficial skin layers when applied without rubbing (P = 0.2). Conclusion These results suggest that rubbing may alter the superficial skin layer resulting in a transient faster initial diffusion of topically applied diclofenac through the stratum corneum into the deeper skin layer of the dermis to the tissue target. PMID:22720797

A direct numerical method for predicting concentration profiles in a turbulent boundary layer over a flat plate. M.S. Thesis

NASA Technical Reports Server (NTRS)

Dow, J. W.

1972-01-01

A numerical solution of the turbulent mass transport equation utilizing the concept of eddy diffusivity is presented as an efficient method of investigating turbulent mass transport in boundary layer type flows. A FORTRAN computer program is used to study the two-dimensional diffusion of ammonia, from a line source on the surface, into a turbulent boundary layer over a flat plate. The results of the numerical solution are compared with experimental data to verify the results of the solution. Several other solutions to diffusion problems are presented to illustrate the versatility of the computer program and to provide some insight into the problem of mass diffusion as a whole.

Materials science and integration bases for fabrication of (BaxSr1-x)TiO3 thin film capacitors with layered Cu-based electrodes

NASA Astrophysics Data System (ADS)

Fan, W.; Kabius, B.; Hiller, J. M.; Saha, S.; Carlisle, J. A.; Auciello, O.; Chang, R. P. H.; Ramesh, R.

2003-11-01

The synthesis and fundamental material properties of layered TiAl/Cu/Ta electrodes were investigated to achieve the integration of Cu electrodes with high-dielectric constant (κ) oxide thin films for application to the fabrication of high-frequency devices. The Ta layer is an excellent diffusion barrier to inhibit deleterious Cu diffusion into the Si substrate, while the TiAl layer provides an excellent barrier against oxygen diffusion into the Cu layer to inhibit Cu oxidation during the growth of the high-κ layer in an oxygen atmosphere. Polycrystalline (BaxSr1-x)TiO3 (BST) thin films were grown on the Cu-based bottom electrode by rf magnetron sputtering at temperatures in the range 400-600 °C in oxygen, to investigate the performance of BST/Cu-based capacitors. Characterization of the Cu-based layered structure using surface analytical methods showed that two amorphous oxide layers were formed on both sides of the TiAl barrier, such that the oxide layer on the free surface of the TiAl layer correlates with TiAlOx, while the oxide layer at the TiAl/Cu interface is an Al2O3-rich layer. This double amorphous barrier layer structure effectively prevents oxygen penetration towards the underlying Cu and Ta layers. The TiAlOx interfacial layer, which has a relatively low dielectric constant compared with BST, reduced the total capacitance of the BST thin film capacitors. In addition, the layered electrode-oxide interface roughening observed during the growth of BST films at high temperature, due to copper grain growth, resulted in large dielectric loss on the fabricated BST capacitors. These problems were solved by growing the BST layer at 450 °C followed by a rapid thermal annealing at 700 °C. This process significantly reduced the thickness of the TiAlOx layer and interface roughness resulting in BST capacitors exhibiting properties suitable for the fabrication of high-performance high-frequency devices. In summary, relatively high dielectric constant (280), low dielectric loss (0.007), and low leakage current (<2×10-8 A/cm2 at 100 kV/cm) were achieved for BST thin film capacitors with Cu-based electrodes.

Molecular Diagnostics of Diffusive Boundary Layers

NASA Astrophysics Data System (ADS)

Rawlings, J. M. C.; Hartquist, T. W.

1997-10-01

We have examined the chemistry in thin (<~0.01 pc) boundary layers between dark star-forming cores and warm, shocked T Tauri winds on the assumption that turbulence-driven diffusion occurs within them. The results indicate that emissions from C+, CH, OH, H2O and the J = 6 --> 5 transition of CO, among others, may serve as diagnostics of the boundary layers.

DIFFUSION IN THE VICINITY OF STANDARD-DESIGN NUCLEAR POWER PLANTS-I. WIND-TUNNEL EVALUATION OF DIFFUSIVE CHARACTERISTICS OF A SIMULATED SUBURBAN NEUTRAL ATMOSPHERIC BOUNDARY LAYER

EPA Science Inventory

A large meteorological wind tunnel was used to simulate a suburban atmospheric boundary layer. The model-prototype scale was 1:300 and the roughness length was approximately 1.0 m full scale. The model boundary layer simulated full scale dispersion from ground-level and elevated ...

Modification of the Near Surface Region Metastable Phases and Ion Induced Reactions

DTIC Science & Technology

1984-02-03

cell Si Dave Lilienfeld - amorphous Si layer thickness Au diffusion in metallic glasses Dave Lilienfeld & - low temperature Cu diffusion in Si Tim...Sullivan Fritz Stafford - defect characterization in implanted & annealed silicon-on-sapphire Peter Zielinski - Composition of CuZr metallic glass...ribbons 5. Prof. Johnson Dave Kuhn - measurement of Pd layer thickness Alexandra Elve - hydrogen profiles in metals Lauren Heitner - hydrogen diffusion in

Growth of crack-free GaN films on Si(111) substrate by using Al-rich AlN buffer layer

NASA Astrophysics Data System (ADS)

Lu, Yuan; Cong, Guangwei; Liu, Xianglin; Lu, Da-Cheng; Zhu, Qinsheng; Wang, Xiaohui; Wu, Jiejun; Wang, Zhanguo

2004-11-01

GaN epilayers were grown on Si(111) substrate by metalorganic chemical vapor deposition. By using the Al-rich AlN buffer which contains Al beyond stoichiometry, crack-free GaN epilayers with 1 μm thickness were obtained. Through x-ray diffraction (XRD) and secondary ion mass spectroscopy analyses, it was found that a lot of Al atoms have diffused into the under part of the GaN epilayer from the Al-rich AlN buffer, which results in the formation of an AlxGa1-xN layer at least with 300 nm thickness in the 1 μm thick GaN epilayer. The Al fraction x was estimated by XRD to be about 2.5%. X-ray photoelectron spectroscopy depth analysis was also applied to investigate the stoichiometry in the Al-rich buffer before GaN growth. It is suggested that the underlayer AlxGa1-xN originated from Al diffusion probably provides a compressive stress to the upper part of the GaN epilayer, which counterbalances a part of tensile stress in the GaN epilayer during cooling down and consequently reduces the cracks of the film effectively. The method using the Al diffusion effect to form a thick AlGaN layer is really feasible to achieve the crack-free GaN films and obtain a high crystal quality simultaneously.

Gold diffusion in mercury cadmium telluride grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Selamet, Yusuf; Singh, Rasdip; Zhao, Jun; Zhou, Yong D.; Sivananthan, Sivalingam; Dhar, Nibir K.

2003-12-01

The growth and characterization of Au-doped HgCdTe layers on (211)B CdTe/Si substrates grown by molecular beam epitaxy reported. The electrical properties of these layers studied for diffusion are presented. For ex-situ experiments, thin Au layers were deposited by evaporation and annealed at various temperatures and times to investigate the p-type doping properties and diffusion of Au in HgCdTe. The atomic distribution of the diffused Au was determined by secondary ion mass spectroscopy. We found clear evidence for p-type doping of HgCdTe:Au by in-situ and ex-situ methods. For in-situ doped layers, we found that, the Au cell temperature needs to be around 900°C to get p-type behavior. The diffusion coefficient of Au in HgCdTe was calculated by fitting SIMS profiles after annealing. Both complementary error functions and gaussian fittings were used, and were in full agreement. Diffusion coefficient as low as 8x10-14cm2/s observed for a sample annealed at 250°C and slow component of a diffusion coefficient as low as 2x10-15 cm2/s observed for a sample annealed at 300°C. Our preliminary results indicate no appreciable diffusion of Au in HgCdTe under the conditions used in these studies. Further work is in progress to confirm these results and to quantify our SIMS profiles.

Complete suppression of boron transient-enhanced diffusion and oxidation-enhanced diffusion in silicon using localized substitutional carbon incorporation

NASA Astrophysics Data System (ADS)

Carroll, M. S.; Chang, C.-L.; Sturm, J. C.; Büyüklimanli, T.

1998-12-01

In this letter, we show the ability, through introduction of a thin Si1-x-yGexCy layer, to eliminate the enhancement of enhanced boron diffusion in silicon due to an oxidizing surface or ion implant damage. This reduction of diffusion is accomplished through a low-temperature-grown thin epitaxial Si1-x-yGexCy layer which completely filters out excess interstitials introduced by oxidation or ion implant damage. We also quantify the oxidation-enhanced diffusion (OED) and transient-enhanced diffusion (TED) dependence on substitutional carbon level, and further report both the observation of carbon TED and OED, and its dependence on carbon levels.

Fingering convection induced by atomic diffusion in stars: 3D numerical computations and applications to stellar models

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

Zemskova, Varvara; Garaud, Pascale; Deal, Morgan

2014-11-10

Iron-rich layers are known to form in the stellar subsurface through a combination of gravitational settling and radiative levitation. Their presence, nature, and detailed structure can affect the excitation process of various stellar pulsation modes and must therefore be modeled carefully in order to better interpret Kepler asteroseismic data. In this paper, we study the interplay between atomic diffusion and fingering convection in A-type stars, as well as its role in the establishment and evolution of iron accumulation layers. To do so, we use a combination of three-dimensional idealized numerical simulations of fingering convection (which neglect radiative transfer and complexmore » opacity effects) and one-dimensional realistic stellar models. Using the three-dimensional simulations, we first validate the mixing prescription for fingering convection recently proposed by Brown et al. (within the scope of the aforementioned approximation) and identify what system parameters (total mass of iron, iron diffusivity, thermal diffusivity, etc.) play a role in the overall evolution of the layer. We then implement the Brown et al. prescription in the Toulouse-Geneva Evolution Code to study the evolution of the iron abundance profile beneath the stellar surface. We find, as first discussed by Théado et al., that when the concurrent settling of helium is ignored, this accumulation rapidly causes an inversion in the mean molecular weight profile, which then drives fingering convection. The latter mixes iron with the surrounding material very efficiently, and the resulting iron layer is very weak. However, taking helium settling into account partially stabilizes the iron profile against fingering convection, and a large iron overabundance can accumulate. The opacity also increases significantly as a result, and in some cases it ultimately triggers dynamical convection. The direct effects of radiative acceleration on the dynamics of fingering convection (especially in the nonlinear regime) remain to be added in the future to improve the quantitative predictions of the model.« less

Dynamics of water in synthetic saponite clays: Effect of trivalent ion substitution

NASA Astrophysics Data System (ADS)

Mitra, S.; Prabhudesai, S. A.; Chakrabarty, D.; Sharma, V. K.; Vicente, M. A.; Embs, J. P.; Mukhopadhyay, R.

2013-06-01

Saponite clay belongs to the phyllosilicate family and is comprised of layers of Si(IV) tetrahedra and Al(III) or Mg(II) octahedra with definite interlayer spacing. In these systems, the trivalent ion substitutions in the tetrahedral layers lead to negative charge on the layers. Here we report the dynamics of water contained in [Si6.97Al1.03][Ni6.00]O20(OH)4[Na1.03]·28H2O (SAP-1) and [Si7.13Fe0.86][Ni6.00]O20(OH)4[Na0.86]·14H2O (SAP-2) saponite clays in the temperature range 200-310 K as studied by quasielastic neutron scattering technique. Particularly the effect of the ion substitution towards the dynamics of water is addressed here. Data analysis is carried out using the relaxing cage model. The existence of distribution in relaxation times indicated that the water molecules in saponite clay have a different local environment which leads to complex diffusion behavior. It is found that water exists in a supercooled state in the temperature range up to 235 K. However, some of the water molecules are found to be immobile in the temperature range 240-285 K. The fraction of immobile water decreases with increase in temperature. At higher temperatures, some of the water molecules in the hydration shells or those near the surface start participating in the diffusion process and at 293 K, almost all water molecules contribute to the dynamics. Diffusivity of water in both SAP-1 and SAP-2 are found to be lower in comparison to the bulk, and within the two samples of saponite clay diffusivity in SAP-1 is found to be lower compared to SAP-2; this has been explained on the basis of the charge on the tetrahedral layers and the charge balancing cations in the interlayer spacing.

Protective coatings for sensitive materials

DOEpatents

Egert, Charles M.

1997-01-01

An enhanced protective coating to prevent interaction between constituents of the environment and devices that can be damaged by those constituents. This coating is provided by applying a synergistic combination of diffusion barrier and physical barrier materials. These materials can be, for example, in the form of a plurality of layers of a diffusion barrier and a physical barrier, with these barrier layers being alternated. Further protection in certain instances is provided by including at least one layer of a getter material to actually react with one or more of the deleterious constituents. The coating is illustrated by using alternating layers of an organic coating (such as Parylene-C.TM.) as the diffusion barrier, and a metal coating (such as aluminum) as the physical barrier. For best results there needs to be more than one of at least one of the constituent layers.

Interfacial layers in high-temperature-oxidized NiCrAl

NASA Technical Reports Server (NTRS)

Larson, L. A.; Browning, R.; Poppa, H.; Smialek, J.

1983-01-01

The utility of Auger electron spectroscopy combined with ball cratering for depth analysis of oxide and diffusion layers produced in a Ni-14Cr-24Al alloy by oxidation in air at 1180 C for 25 hr is demonstrated. During postoxidation cooling, the oxide layers formed by this alloy spalled profusely. The remaining very thin oxide was primarily Cr2O3 with a trace of Ni. The underlying metal substrate exhibited gamma/gamma-prime and beta phases with a metallic interfacial layer which was similar to the bulk gamma/gamma-prime phase but slightly enriched in Cr and Al. These data are compared to electron microprobe results from a nominally identical alloy. The diffusion layer thickness is modelled with a simple mass balance equation and compared to recent results on the diffusion process in NiCrAl alloys.

Low temperature Zn diffusion for GaSb solar cell structures fabrication

NASA Technical Reports Server (NTRS)

Sulima, Oleg V.; Faleev, Nikolai N.; Kazantsev, Andrej B.; Mintairov, Alexander M.; Namazov, Ali

1995-01-01

Low temperature Zn diffusion in GaSb, where the minimum temperature was 450 C, was studied. The pseudo-closed box (PCB) method was used for Zn diffusion into GaAs, AlGaAs, InP, InGaAs and InGaAsP. The PCB method avoids the inconvenience of sealed ampoules and proved to be simple and reproducible. The special design of the boat for Zn diffusion ensured the uniformality of Zn vapor pressure across the wafer surface, and thus the uniformity of the p-GaSb layer depth. The p-GaSb layers were studied using Raman scattering spectroscopy and the x-ray rocking curve method. As for the postdiffusion processing, an anodic oxidation was used for a precise thinning of the diffused GaSb layers. The results show the applicability of the PCB method for the large-scale production of the GaSb structures for solar cells.

Dynamics behavior of lithium in graphite lattice: MD calculation approach

NASA Astrophysics Data System (ADS)

Shimizu, A.; Tachikawa, H.

2000-12-01

In order to investigate the diffusion process of Li atom in graphite, molecular dynamics simulation was achieved on the basis of molecular mechanics 2 (MM2) method using four layers cluster model one of which is composed of C150H30 with terminating hydrogen atoms. According to the simulations at 500 K, Li atom stabilizes initially around the center of mass, gets out of the graphite layers after 3.0 ps through diffusion, which is different from the movement of Li+ ion captured by the dangling bonds of the edge carbon atoms. The diffusion process of Li atom is found to be composed of following four steps in series: (1) vibration around the stabilization point; (2) bulk diffusion; (3) vibration under influence of the dangling bonds of edge carbon atoms; and (4) escape from the graphite layers. The diffusivity for step (3) is smaller than that for step (2).

Optical properties of Zn-diffused InP layers for the planar-type InGaAs/InP photodetectors

NASA Astrophysics Data System (ADS)

Chen, Guifeng; Wang, Mengxue; Yang, Wenxian; Tan, Ming; Wu, Yuanyuan; Dai, Pan; Huang, Yuyang; Lu, Shulong

2017-12-01

Zn diffusion into InP was carried out ex-situ using a new Zn diffusion technique with zinc phosphorus particles placed around InP materials as zinc source in a semi-closed chamber formed by a modified diffusion furnace. The optical characteristics of the Zn-diffused InP layer for the planar-type InGaAs/InP PIN photodetectors grown by molecular beam epitaxy (MBE) has been investigated by photoluminescence (PL) measurements. The temperature-dependent PL spectrum of Zn-diffused InP samples at different diffusion temperatures showed that band-to-acceptor transition dominates the PL emission, which indicates that Zn was commendably diffused into InP layer as the acceptor. High quality Zn-diffused InP layer with typically smooth surface was obtained at 580 °C for 10 min. Furthermore, more interstitial Zn atoms were activated to act as acceptors after a rapid annealing process. Based on the above Zn-diffusion technique, a 50 μm planar-type InGaAs/InP PIN photodector device was fabricated and exhibited a low dark current of 7.73 pA under a reverse bias potential of -5 V and a high breakdown voltage of larger than 41 V (I < 10 μA). In addition, a high responsivity of 0.81 A/W at 1.31 μm and 0.97 A/W at 1.55 μm was obtained in the developed PIN photodetector. Project supported by the Key R&D Program of Jiangsu Province (No. BE2016085) , the National Natural Science Foundation of China (Nos. 61674051), and the External Cooperation Program of BIC, Chinese Academy of Sciences (No. 121E32KYSB20160071).

Silica-sol-based spin-coating barrier layer against phosphorous diffusion for crystalline silicon solar cells

PubMed Central

2014-01-01

The phosphorus barrier layers at the doping procedure of silicon wafers were fabricated using a spin-coating method with a mixture of silica-sol and tetramethylammonium hydroxide, which can be formed at the rear surface prior to the front phosphorus spin-on-demand (SOD) diffusion and directly annealed simultaneously with the front phosphorus layer. The optimization of coating thickness was obtained by changing the applied spin-coating speed; from 2,000 to 8,000 rpm. The CZ-Si p-type silicon solar cells were fabricated with/without using the rear silica-sol layer after taking the sheet resistance measurements, SIMS analysis, and SEM measurements of the silica-sol material evaluations into consideration. For the fabrication of solar cells, a spin-coating phosphorus source was used to form the n+ emitter and was then diffused at 930°C for 35 min. The out-gas diffusion of phosphorus could be completely prevented by spin-coated silica-sol film placed on the rear side of the wafers coated prior to the diffusion process. A roughly 2% improvement in the conversion efficiency was observed when silica-sol was utilized during the phosphorus diffusion step. These results can suggest that the silica-sol material can be an attractive candidate for low-cost and easily applicable spin-coating barrier for any masking purpose involving phosphorus diffusion. PMID:25520602

Silica-sol-based spin-coating barrier layer against phosphorous diffusion for crystalline silicon solar cells.

PubMed

Uzum, Abdullah; Fukatsu, Ken; Kanda, Hiroyuki; Kimura, Yutaka; Tanimoto, Kenji; Yoshinaga, Seiya; Jiang, Yunjian; Ishikawa, Yasuaki; Uraoka, Yukiharu; Ito, Seigo

2014-01-01

The phosphorus barrier layers at the doping procedure of silicon wafers were fabricated using a spin-coating method with a mixture of silica-sol and tetramethylammonium hydroxide, which can be formed at the rear surface prior to the front phosphorus spin-on-demand (SOD) diffusion and directly annealed simultaneously with the front phosphorus layer. The optimization of coating thickness was obtained by changing the applied spin-coating speed; from 2,000 to 8,000 rpm. The CZ-Si p-type silicon solar cells were fabricated with/without using the rear silica-sol layer after taking the sheet resistance measurements, SIMS analysis, and SEM measurements of the silica-sol material evaluations into consideration. For the fabrication of solar cells, a spin-coating phosphorus source was used to form the n(+) emitter and was then diffused at 930°C for 35 min. The out-gas diffusion of phosphorus could be completely prevented by spin-coated silica-sol film placed on the rear side of the wafers coated prior to the diffusion process. A roughly 2% improvement in the conversion efficiency was observed when silica-sol was utilized during the phosphorus diffusion step. These results can suggest that the silica-sol material can be an attractive candidate for low-cost and easily applicable spin-coating barrier for any masking purpose involving phosphorus diffusion.

Effects of anisotropies in turbulent magnetic diffusion in mean-field solar dynamo models

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

Pipin, V. V.; Kosovichev, A. G.

2014-04-10

We study how anisotropies of turbulent diffusion affect the evolution of large-scale magnetic fields and the dynamo process on the Sun. The effect of anisotropy is calculated in a mean-field magnetohydrodynamics framework assuming that triple correlations provide relaxation to the turbulent electromotive force (so-called the 'minimal τ-approximation'). We examine two types of mean-field dynamo models: the well-known benchmark flux-transport model and a distributed-dynamo model with a subsurface rotational shear layer. For both models, we investigate effects of the double- and triple-cell meridional circulation, recently suggested by helioseismology and numerical simulations. To characterize the anisotropy effects, we introduce a parameter ofmore » anisotropy as a ratio of the radial and horizontal intensities of turbulent mixing. It is found that the anisotropy affects the distribution of magnetic fields inside the convection zone. The concentration of the magnetic flux near the bottom and top boundaries of the convection zone is greater when the anisotropy is stronger. It is shown that the critical dynamo number and the dynamo period approach to constant values for large values of the anisotropy parameter. The anisotropy reduces the overlap of toroidal magnetic fields generated in subsequent dynamo cycles, in the time-latitude 'butterfly' diagram. If we assume that sunspots are formed in the vicinity of the subsurface shear layer, then the distributed dynamo model with the anisotropic diffusivity satisfies the observational constraints from helioseismology and is consistent with the value of effective turbulent diffusion estimated from the dynamics of surface magnetic fields.« less

Diffusion-Based Design of Multi-Layered Ophthalmic Lenses for Controlled Drug Release

PubMed Central

Pimenta, Andreia F. R.; Serro, Ana Paula; Paradiso, Patrizia; Saramago, Benilde

2016-01-01

The study of ocular drug delivery systems has been one of the most covered topics in drug delivery research. One potential drug carrier solution is the use of materials that are already commercially available in ophthalmic lenses for the correction of refractive errors. In this study, we present a diffusion-based mathematical model in which the parameters can be adjusted based on experimental results obtained under controlled conditions. The model allows for the design of multi-layered therapeutic ophthalmic lenses for controlled drug delivery. We show that the proper combination of materials with adequate drug diffusion coefficients, thicknesses and interfacial transport characteristics allows for the control of the delivery of drugs from multi-layered ophthalmic lenses, such that drug bursts can be minimized, and the release time can be maximized. As far as we know, this combination of a mathematical modelling approach with experimental validation of non-constant activity source lamellar structures, made of layers of different materials, accounting for the interface resistance to the drug diffusion, is a novel approach to the design of drug loaded multi-layered contact lenses. PMID:27936138

An Experimental Investigation of Forced Mixing of a Turbulent Boundary Layer in an Annular Diffuser. Ph.D. Thesis - Ohio State Univ.; [for boundary layer control

NASA Technical Reports Server (NTRS)

Shaw, R. J.

1979-01-01

The forced mixing process of a turbulent boundary layer in an axisymmetric annular diffuser using conventional wing-like vortex generators was studied. Flow field measurements were made at four axial locations downstream of the vortex generators. At each axial location, a total of 25 equally spaced profiles were measured behind three consecutive vortex generators which formed two pairs of vortex generators. Hot film anemometry probes measured the boundary layer turbulence structure at the same locations where pressure measurements were made. Both single and cross film probes were used. The diffuser turbulence data was teken only for a nominal inlet Mach number of 0.3. Three vortex generator configurations were tested. The differences between configurations involved changes in size and relative vortex generator positions. All three vortex generator configurations tested provided increases in diffuser performance. Distinct differences in the boundary layer integral properties and skin friction levels were noted between configurations. The axial turbulence intensity and Reynolds stress profiles measured displayed similarities in trends but differences in levels for the three configurations.

Reliable recovery of the optical properties of multi-layer turbid media by iteratively using a layered diffusion model at multiple source-detector separations

PubMed Central

Liao, Yu-Kai; Tseng, Sheng-Hao

2014-01-01

Accurately determining the optical properties of multi-layer turbid media using a layered diffusion model is often a difficult task and could be an ill-posed problem. In this study, an iterative algorithm was proposed for solving such problems. This algorithm employed a layered diffusion model to calculate the optical properties of a layered sample at several source-detector separations (SDSs). The optical properties determined at various SDSs were mutually referenced to complete one round of iteration and the optical properties were gradually revised in further iterations until a set of stable optical properties was obtained. We evaluated the performance of the proposed method using frequency domain Monte Carlo simulations and found that the method could robustly recover the layered sample properties with various layer thickness and optical property settings. It is expected that this algorithm can work with photon transport models in frequency and time domain for various applications, such as determination of subcutaneous fat or muscle optical properties and monitoring the hemodynamics of muscle. PMID:24688828

Interaction of the dopants Mg and Si in Al xGa 1- x As/GaAs heterolayers (MOVPE): application to DQW laser structures

NASA Astrophysics Data System (ADS)

Korte, L.; Treichler, R.; Schreiber, M.; Tanner, Ch.; Kristen, G.; Hanke, C.; Weimann, G.

1991-01-01

The interaction of Mg and Si has been studied in GaAs/Al xGa 1- xAs DQW laser structures with a 50 nm Si diffusion barrier. The samples have been exposed to capless heat treatments at 860°C and under Si/SiO 2 and Si 3N 4 cap layers, and were analysed by SIMS. The Mg diffusion is highly dependent on the surface conditions during heating. A Si barrier is effective for temperature treatments under H 2/AsH 3 and Si/SiO 2. It is not effective under a Si 3N 4 cap where we detected very fast Mg diffusion. The Mg diffusion behaviour is discussed in terms of Si-Mg interaction and the influence of crystal defects.

Non-equilibrium steady-state distributions of colloids in a tilted periodic potential

NASA Astrophysics Data System (ADS)

Ma, Xiaoguang; Lai, Pik-Yin; Ackerson, Bruce; Tong, Penger

A two-layer colloidal system is constructed to study the effects of the external force F on the non-equilibrium steady-state (NESS) dynamics of the diffusing particles over a tilted periodic potential, in which detailed balance is broken due to the presence of a steady particle flux. The periodic potential is provided by the bottom layer colloidal spheres forming a fixed crystalline pattern on a glass substrate. The corrugated surface of the bottom colloidal crystal provides a gravitational potential field for the top layer diffusing particles. By tilting the sample with respect to gravity, a tangential component F is applied to the diffusing particles. The measured NESS probability density function Pss (x , y) of the particles is found to deviate from the equilibrium distribution depending on the driving or distance from equilibrium. The experimental results are compared with the exact solution of the 1D Smoluchowski equation and the numerical results of the 2D Smoluchowski equation. Moreover, from the obtained exact 1D solution, we develop an analytical method to accurately extract the 1D potential U0 (x) from the measured Pss (x) . Work supported in part by the Research Grants Council of Hong Kong SAR.

Photomixing of chlamydomonas rheinhardtii suspensions

NASA Astrophysics Data System (ADS)

Dervaux, Julien; Capellazzi Resta, Marina; Abou, Bérengère; Brunet, Philippe

2014-11-01

Chlamydomonas rheinhardtii is a fast swimming unicellular alga able to bias its swimming direction in gradients of light intensity, an ability know as phototaxis. We have investigated experimentally both the swimming behavior of individual cells and the macroscopic response of shallow suspensions of these micro-organisms in response to a localized light source. At low light intensity, algae exhibit positive phototaxis and accumulate beneath the excitation light. In weakly concentrated thin layers, the balance between phototaxis and cell motility results in steady symmetrical patterns compatible with a purely diffusive model using effective diffusion coefficients extracted from the analysis of individual cell trajectories. However, at higher cell density and layer depth, collective effects induce convective flows around the light source. These flows disturb the cell concentration patterns which spread and may then becomes unstable. Using large passive tracer particles, we have characterized the velocity fields associated with this forced bioconvection and their dependence on the cell density and layer depth. By tuning the light distribution, this mechanism of photo-bioconvection allows a fine control over the local fluid flows, and thus the mixing efficiency, in algal suspensions.

Influence of cobalt and manganese content on the dehydrogenation capacity and kinetics of air-exposed LaNi 5+ x-type alloys in solid gas and electrochemical reactions

NASA Astrophysics Data System (ADS)

Raekelboom, E.; Cuevas, F.; Knosp, B.; Percheron-Guégan, A.

The effect of cobalt and manganese content on the dehydrogenation properties of air-exposed MmB 5+ x-type (Mm = mischmetal; B = Ni, Al, Co and Mn) alloys was investigated both in solid gas and electrochemical reactions. The cobalt and manganese content were varied separately while keeping constant the plateau pressure of the hydrides. The increase of the cobalt content leads to a decrease of the hydrogen capacity whereas the manganese content has no much effect. In solid gas reactions, the kinetics were found to be limited by the hydrogen diffusion through the surface oxidation layer. As for the electrochemistry, the kinetics are limited by a corrosion layer formed in alkaline medium. The desorption rates for both processes increase as the cobalt or manganese content decreases. This is thought to be due to an enhancement of the hydrogen diffusivity through the oxidation layer. As a result, a low cobalt or manganese content in MmB 5+ x alloys is found to be beneficial for the hydrogen desorption kinetics in both processes.

Mass transport at rotating disk electrodes: effects of synthetic particles and nerve endings.

PubMed

Chiu, Veronica M; Lukus, Peter A; Doyle, Jamie L; Schenk, James O

2011-11-01

An unstirred layer (USL) exists at the interface of solids with solutions. Thus, the particles in brain tissue preparations possess a USL as well as at the surface of a rotating disk electrode (RDE) used to measure chemical fluxes. Time constraints for observing biological kinetics based on estimated thicknesses of USLs at the membrane surface in real samples of nerve endings were estimated. Liposomes, silica, and Sephadex were used separately to model the tissue preparation particles. Within a solution stirred by the RDE, both diffusion and hydrodynamic boundary layers are formed. It was observed that the number and size of particles decreased the following: the apparent diffusion coefficient excluding Sephadex, boundary layer thicknesses excluding silica, sensitivity excluding diluted liposomes (in agreement with results from other laboratories), limiting current potentially due to an increase in the path distance, and mixing time. They have no effect on the detection limit (6 ± 2 nM). The RDE kinetically resolves transmembrane transport with a timing of approximately 30 ms. Copyright © 2011 Elsevier Inc. All rights reserved.

Exhibition of veiled features in diffusion bonding of titanium alloy and stainless steel via copper

NASA Astrophysics Data System (ADS)

Thirunavukarasu, Gopinath; Kundu, Sukumar; Laha, Tapas; Roy, Deb; Chatterjee, Subrata

2017-11-01

An investigation was carried out to know the extent of influence of bonding-time on the interface structure and mechanical properties of diffusion bonding (DB) of TiA|Cu|SS. DB of Ti6Al4V (TiA) and 304 stainless steel (SS) using pure copper (Cu) of 200-μm thickness were processed in vacuum using 4-MPa bonding-pressure at 1123 K from 15 to 120 min in steps of 15 min. Preparation of DB was not possible when bonding-time was less than 60 min as the bonding at Cu|SS interface was unsuccessful in spite of effective bonding at TiA|Cu interface; however, successful DB were produced when the bonding-time was 60 min and beyond. DB processed for 60 and 75 min (classified as shorter bonding-time interval) showed distinctive characteristics (structural, mechanical, and fractural) as compared to the DB processed for 90, 105, and 120 min (classified as longer bonding-time interval). DB processed for 60 and 75 min exhibited layer-wise Cu-Ti-based intermetallics at TiA|Cu interface, whereas Cu|SS interface was completely free from reaction products. The layer-wise structure of Cu-Ti-based intermetallics were not observed at TiA|Cu interface in the DB processed for longer bonding-time; however, the Cu|SS interface had layer-wise ternary intermetallic compounds (T1, T2, and T3) of Cu-Fe-Ti-based along with σ phase depending upon the bonding-time chosen. Diffusivity of Ti-atoms in Cu-layer (DTi in Cu-layer) was much greater than the diffusivity of Fe-atoms in Cu-layer (DFe in Cu-layer). Ti-atoms reached Cu|SS interface but Fe-atoms were unable to reach TiA|Cu interface. It was observed that DB fractured at Cu|SS interface when processed for shorter bonding-time interval, whereas the DB processed for longer bonding-time interval fractured apparently at the middle of Cu-foil region predominantly due to the existence of brittle Cu-Fe-Ti-based intermetallics.

Imaging laminar structures in the gray matter with diffusion MRI.

PubMed

Assaf, Yaniv

2018-01-05

The cortical layers define the architecture of the gray matter and its neuroanatomical regions and are essential for brain function. Abnormalities in cortical layer development, growth patterns, organization, or size can affect brain physiology and cognition. Unfortunately, while large population studies are underway that will greatly increase our knowledge about these processes, current non-invasive techniques for characterizing the cortical layers remain inadequate. For decades, high-resolution T1 and T2 Weighted Magnetic Resonance Imaging (MRI) have been the method-of-choice for gray matter and layer characterization. In the past few years, however, diffusion MRI has shown increasing promise for its unique insights into the fine structure of the cortex. Several different methods, including surface analysis, connectivity exploration, and sub-voxel component modeling, are now capable of exploring the diffusion characteristics of the cortex. In this review, we will discuss current advances in the application of diffusion imaging for cortical characterization and its unique features, with a particular emphasis on its spatial resolution, arguably its greatest limitation. In addition, we will explore the relationship between the diffusion MRI signal and the cellular components of the cortex, as visualized by histology. While the obstacles facing the widespread application of cortical diffusion imaging remain daunting, the information it can reveal may prove invaluable. Within the next few years, we predict a surge in the application of this technique and a concomitant expansion of our knowledge of cortical layers. Copyright © 2018 Elsevier Inc. All rights reserved.

Bottom boundary layer spectral dissipation estimates in the presence of wave motions

NASA Astrophysics Data System (ADS)

Gross, T. F.; Williams, A. J.; Terray, E. A.

1994-08-01

Turbulence measurements are an essential element of the Sediment TRansport Events on Shelves and Slopes experiment (STRESS). Sediment transport under waves is initiated within the wave boundary layer at the seabed, at most a few tens of centimeters deep. The suspended load is carried by turbulent diffusion above the wave boundary layer. Quantification of the turbulent diffusion active above the wave boundary layer requires estimates of shear stress or energy dissipation in the presence of oscillating flows. Measurements by Benthic Acoustic Stress Sensors of velocity fluctuations were used to derive the dissipation rate from the energy level of the spectral inertial range (the -5/3 spectrum). When the wave orbital velocity is of similar magnitude to the mean flow, kinematic effects on the estimation techniques of stress and dissipation must be included. Throughout the STRESS experiment there was always significant wave energy affecting the turbulent bottom boundary layer. LUMLEY and TERRAY [(1983) Journal of Physical Oceanography, 13, 2000-2007] presented a theory describing the effect of orbital motions on kinetic energy spectra. Their model is used here with observations of spectra taken within a turbulent boundary layer which is affected by wave motion. While their method was an explicit solution for circular wave orbits aligned with mean current we extrapolated it to the case of near bed horizontal motions, not aligned with the current. The necessity of accounting for wave orbital motion is demonstrated, but variability within the field setting limited our certainty of the improvement in accuracy the corrections afforded.

Multimodel analysis of anisotropic diffusive tracer-gas transport in a deep arid unsaturated zone

USGS Publications Warehouse

Green, Christopher T.; Walvoord, Michelle Ann; Andraski, Brian J.; Striegl, Robert G.; Stonestrom, David A.

2015-01-01

Gas transport in the unsaturated zone affects contaminant flux and remediation, interpretation of groundwater travel times from atmospheric tracers, and mass budgets of environmentally important gases. Although unsaturated zone transport of gases is commonly treated as dominated by diffusion, the characteristics of transport in deep layered sediments remain uncertain. In this study, we use a multimodel approach to analyze results of a gas-tracer (SF6) test to clarify characteristics of gas transport in deep unsaturated alluvium. Thirty-five separate models with distinct diffusivity structures were calibrated to the tracer-test data and were compared on the basis of Akaike Information Criteria estimates of posterior model probability. Models included analytical and numerical solutions. Analytical models provided estimates of bulk-scale apparent diffusivities at the scale of tens of meters. Numerical models provided information on local-scale diffusivities and feasible lithological features producing the observed tracer breakthrough curves. The combined approaches indicate significant anisotropy of bulk-scale diffusivity, likely associated with high-diffusivity layers. Both approaches indicated that diffusivities in some intervals were greater than expected from standard models relating porosity to diffusivity. High apparent diffusivities and anisotropic diffusivity structures were consistent with previous observations at the study site of rapid lateral transport and limited vertical spreading of gas-phase contaminants. Additional processes such as advective oscillations may be involved. These results indicate that gases in deep, layered unsaturated zone sediments can spread laterally more quickly, and produce higher peak concentrations, than predicted by homogeneous, isotropic diffusion models.

Oxidation study of coated Crofer 22 APU steel in dry oxygen

NASA Astrophysics Data System (ADS)

Molin, Sebastian; Chen, Ming; Hendriksen, Peter Vang

2014-04-01

The effect of a dual layer coating composed of a layer of a Co3O4 and a layer of a La0.85Sr0.15MnO3/Co3O4 mixture on the high temperature corrosion of the Crofer 22 APU alloy is reported. Oxidation experiments were performed in dry oxygen at three temperatures: 800 °C, 850 °C and 900 °C for periods up to 1000 h. Additionally at 850 °C a 5000 h long oxidation test was performed to evaluate longer term suitability of the proposed coating. Corrosion kinetics were evaluated by measuring mass gain during oxidation. The corrosion kinetics for the coated samples are analyzed in terms of a parabolic rate law. Microstructural features were investigated by scanning electron microscopy, energy dispersive X-ray analysis and X-ray diffractometry. The coating is effective in reducing the corrosion rate and in ensuring long lifetime of coated alloys. The calculated activation energy for the corrosion process is around 1.8 eV. A complex Co-Mn-Cr spinel is formed caused by diffusion of Cr and Mn from the alloy into the Co3O4 coating and by additional diffusion of Mn from the LSM layer. Adding a layer of LSM/Co3O4, acting as an additional Mn source, on top of the cobalt spinel is beneficial for the improved corrosion resistance.

The boron-tailing myth in hydrogenated amorphous silicon solar cells

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

Stuckelberger, M., E-mail: michael.stuckelberger@alumni.ethz.ch; Bugnon, G.; Despeisse, M.

The boron-tailing effect in hydrogenated amorphous silicon (a-Si:H) solar cells describes the reduced charge collection specifically in the blue part of the spectrum for absorber layers deposited above a critical temperature. This effect limits the device performance of state-of-the art solar cells: For enhanced current density (reduced bandgap), the deposition temperature should be as high as possible, but boron tailing gets detrimental above 200 °C. To investigate this limitation and to show potential paths to overcome it, we deposited high-efficiency a-Si:H solar cells, varying the deposition temperatures of the p-type and the intrinsic absorber (i) layers between 150 and 250 °C. Usingmore » secondary ion mass spectroscopy, we study dedicated stacks of i-p-i layers deposited at different temperatures. This allows us to track boron diffusion at the p-i and i-p interfaces as they occur in the p-i-n and n-i-p configurations of a-Si:H solar cells for different deposition conditions. Finally, we prove step-by-step that the common explanation for boron tailing—boron diffusion from the p layer into the i layer leading to enhanced recombination—is not generally true and propose an alternative explanation for the experimentally observed drop in the external quantum efficiency at short wavelengths.« less

Corrosion resistant coatings suitable for elevated temperature application

DOEpatents

Chan, Kwai S [San Antonio, TX; Cheruvu, Narayana Sastry [San Antonio, TX; Liang, Wuwei [Austin, TX

2012-07-31

The present invention relates to corrosion resistance coatings suitable for elevated temperature applications, which employ compositions of iron (Fe), chromium (Cr), nickel (Ni) and/or aluminum (Al). The compositions may be configured to regulate the diffusion of metals between a coating and a substrate, which may then influence coating performance, via the formation of an inter-diffusion barrier layer. The inter-diffusion barrier layer may comprise a face-centered cubic phase.

Effect of Index of Refraction on Radiation Characteristics in a Heated Absorbing, Emitting, and Scattering Layer

NASA Technical Reports Server (NTRS)

Siegel, R.; Spuckler, C. M.

1992-01-01

The effect of the index of refraction on the temperature distribution and radiative heat flux in semitransparent materials, such as some ceramics, is investigated analytically. In the case considered here, a plane layer of a ceramic material is subjected to external radiative heating incident on each of its surfaces; the material emits, absorbs, and isotropically scatters radiation. It is shown that, for radiative equilibrium in a gray layer with diffuse interfaces, the temperature distribution and radiative heat flux for any index of refraction can be obtained in a simple manner from the results for an index of refraction of unity.

High average power scaleable thin-disk laser

DOEpatents

Beach, Raymond J.; Honea, Eric C.; Bibeau, Camille; Payne, Stephen A.; Powell, Howard; Krupke, William F.; Sutton, Steven B.

2002-01-01

Using a thin disk laser gain element with an undoped cap layer enables the scaling of lasers to extremely high average output power values. Ordinarily, the power scaling of such thin disk lasers is limited by the deleterious effects of amplified spontaneous emission. By using an undoped cap layer diffusion bonded to the thin disk, the onset of amplified spontaneous emission does not occur as readily as if no cap layer is used, and much larger transverse thin disks can be effectively used as laser gain elements. This invention can be used as a high average power laser for material processing applications as well as for weapon and air defense applications.

Layer Structure of a Refractory Multilayer Ti/Al Composite After Pressure Diffusion Welding

NASA Astrophysics Data System (ADS)

Karpov, M. I.; Korzhov, V. P.; Zheltyakova, I. S.

2016-05-01

A composite refractory material with layer structure obtained by the method of pressure diffusion welding of multilayer Ti/Al packets composed of Ti- and Al-foils is studied. The welding temperature of the packets does not exceed 1200 - 1250°C. A layer structure forms in the process of interdiffusion of titanium and aluminum during welding of the packets.

Optical property measurement from layered biological media

NASA Astrophysics Data System (ADS)

Muller, Matthew R.

1998-12-01

Near infrared (NIR) photon reflectance spectroscopy is applied to measurement of blood concentration and its oxygen saturation within biological tissue. The measurement relies upon the changes in photon absorption of hemoglobin in the tissue as changes occur in the hemoglobin concentration and oxygen content. In the present study, NIR light is introduced at the skin surface and the optical properties (absorption and scattering) within the underlying tissue are determined from the resulting surface reflectance. Typically the tissue is modeled as a homogeneous mixture of bloodless tissue and blood, and the model incorporates the physical relationship between the surface reflectance and the optical properties of the tissue. The skin and underlying tissue, although heterogeneous, have a characteristic layered structure. These layers can be differentiated optically. The modeling and the inverse problem of measuring the optical properties in each of the tissue layers from the surface reflectance have been the subject of much attention by a number of investigators. Nonetheless, quantification of the relationship between surface reflectance and the optical properties of layered tissue has not been well understood nor well described. In the forward problem, tissue optical properties yield surface reflectance profiles (SRPs). Surface reflectance profiles, or SRPs, from diffusive media consisting of two layers are calculated using numerical solutions to the Boltzmann equation. Experimental SRPs are also measured in vitro from a test medium and in vivo from the calf of human subjects. This study provides a new approach to solving the inverse problem of determining optical properties from SRPs. To solve the inverse problem, an effective diffusion constant (Ke) is determined for the layered media. The Ke is the diffusion constant of an equivalent homogeneous medium which best fits the SRP of the layered medium. The departure from Ke of the SRP for a layered media is captured concisely, and Ke becomes a tool in describing the layered optical properties. This approach is applied clinically to measure changes in the blood concentration and oxygenation measured in vivo from normals and patients with peripheral vascular disease. A significant finding from the modeling was to identify the functional relationship of Ke to the top and lower layer diffusion constants, and the top layer thickness. When applied to in vitro measurements from media containing homogeneous layers with known optical properties, this functional relationship predicted Ke within the 95% confidence interval of the measured Ke. For the in vivo measurements, changes in K e with exercise are consistent with expected exercise physiology. With the incorporation of the known optical absorbance of hemoglobin in the presence of oxygen, the SRPs provide a means to measure the oxygen saturation of a deep tissue layer from the surface light reflectance.

Ion implantation of indium gallium arsenide

NASA Astrophysics Data System (ADS)

Almonte, Marlene Isabel

The ternary compound In0.53Ga0.47As, lattice-matched to Inp, is a semiconductor alloy of technological importance for numerous electronic and optoelectronic device applications. One of these applications includes photodiodes to be developed for the 1.3--1.55 mum wavelength range where silica fibers have their lowest optical loss. With a rapid increase in its use there is an essential need to understand the effects of ion implantation of this alloy semiconductor for implant isolation purposes in which highly resistive layers are required. Due to the small band gap (0.75 eV at 300K) of In0.53Ga0.47As, the estimated maximum resistivity is of the order of 1000 O-cm. Implant isolation can be achieved by the implantation of either inert noble gas ions or electrically active ions. Ion bombardment with inert species introduces defects which trap charge carriers. In the case of implant isolation by electrically active ions, the implanted impurities form an electronic level located close to the middle of the bandgap. Studies of the effects of implantation in In0.53Ga0.47 As due to damage by implantation of Ne+ ions and to compensation by implantation of Fe+ ions are reported in this thesis. The former only involves lattice damage related effects while the latter leads to damage and dopant induced compensation. From the Ne+ implantation results it appears that the damage related energy levels in In0.53 Ga0.47M produced by ion bombardment of chemically inactive species, are not sufficiently deep to lead to effective isolation. A higher resistivity of the order of 770 O-cm is achieved with Fe+ implantation, indicating that Fe introduces an energy level deep in the bandgap. The changes in the electrical properties of the layers are correlated to the lattice damage (damage induced effects) and/or the diffusion of the compensating dopants (dopant induced compensation). Structural characterization of the layers is performed with channeling Rutherford Backscattering Spectrometry (RBS). The distribution of the compensating dopants in the as-implanted and annealed layers is examined by Secondary Ion Mass Spectrometry (SIMS). SIMS analysis shows Fe out-diffusion which results in the loss of the semi-insulating electrical characteristics. To further our understanding of Fe diffusion in In0.53Ga0.47As, the diffusion coefficient of Fe is measured for the first time. The diffusivity of Fe was measured to be 4 x 10-13 cm2 s-1 at 550°C. The thermal stability of these damage and compensation induced effects producing implant isolation is discussed in detail.

Solution of the nonlinear Poisson-Boltzmann equation: Application to ionic diffusion in cementitious materials

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

Arnold, J.; Kosson, D.S., E-mail: david.s.kosson@vanderbilt.edu; Garrabrants, A.

2013-02-15

A robust numerical solution of the nonlinear Poisson-Boltzmann equation for asymmetric polyelectrolyte solutions in discrete pore geometries is presented. Comparisons to the linearized approximation of the Poisson-Boltzmann equation reveal that the assumptions leading to linearization may not be appropriate for the electrochemical regime in many cementitious materials. Implications of the electric double layer on both partitioning of species and on diffusive release are discussed. The influence of the electric double layer on anion diffusion relative to cation diffusion is examined.

Quasi-two-layer morphodynamic model for bedload-dominated problems: bed slope-induced morphological diffusion

NASA Astrophysics Data System (ADS)

Maldonado, Sergio; Borthwick, Alistair G. L.

2018-02-01

We derive a two-layer depth-averaged model of sediment transport and morphological evolution for application to bedload-dominated problems. The near-bed transport region is represented by the lower (bedload) layer which has an arbitrarily constant, vanishing thickness (of approx. 10 times the sediment particle diameter), and whose average sediment concentration is free to vary. Sediment is allowed to enter the upper layer, and hence the total load may also be simulated, provided that concentrations of suspended sediment remain low. The model conforms with established theories of bedload, and is validated satisfactorily against empirical expressions for sediment transport rates and the morphodynamic experiment of a migrating mining pit by Lee et al. (1993 J. Hydraul. Eng. 119, 64-80 (doi:10.1061/(ASCE)0733-9429(1993)119:1(64))). Investigation into the effect of a local bed gradient on bedload leads to derivation of an analytical, physically meaningful expression for morphological diffusion induced by a non-zero local bed slope. Incorporation of the proposed morphological diffusion into a conventional morphodynamic model (defined as a coupling between the shallow water equations, Exner equation and an empirical formula for bedload) improves model predictions when applied to the evolution of a mining pit, without the need either to resort to special numerical treatment of the equations or to use additional tuning parameters.

Axisymmetric deformation of a poroelastic layer overlying an elastic half-space due to surface loading

NASA Astrophysics Data System (ADS)

Rani, Sunita; Rani, Sunita

2017-11-01

The axisymmetric deformation of a homogeneous, isotropic, poroelastic layer of uniform thickness overlying a homogeneous, isotropic, elastic half-space due to surface loads has been obtained. The fluid and the solid constituents of the porous layer are compressible and the permeability in vertical direction is different from its permeability in horizontal direction. The displacements and pore-pressure are taken as basic state variables. An analytical solution for the pore-pressure, displacements and stresses has been obtained using the Laplace-Hankel transform technique. The case of normal disc loading is discussed in detail. Diffusion of pore-pressure is obtained in the space-time domain. The Laplace inversion is evaluated using the fixed Talbot algorithm and the Hankel inversion using the extended Simpson's rule. Two different models of the Earth have been considered: continental crust model and oceanic crust model. For continental crust model, the layer is assumed to be of Westerly Granite and for the oceanic crust model of Hanford Basalt. The effect of the compressibilities of the fluid as well as solid constituents and anisotropy in permeability has been studied on the diffusion of pore-pressure. Contour maps have been plotted for the diffusion of pore-pressure for both models. It is observed that the pore-pressure changes to compression for the continental crust model with time, which is not true for the oceanic crust.

Quasi-two-layer morphodynamic model for bedload-dominated problems: bed slope-induced morphological diffusion.

PubMed

Maldonado, Sergio; Borthwick, Alistair G L

2018-02-01

We derive a two-layer depth-averaged model of sediment transport and morphological evolution for application to bedload-dominated problems. The near-bed transport region is represented by the lower (bedload) layer which has an arbitrarily constant, vanishing thickness (of approx. 10 times the sediment particle diameter), and whose average sediment concentration is free to vary. Sediment is allowed to enter the upper layer, and hence the total load may also be simulated, provided that concentrations of suspended sediment remain low. The model conforms with established theories of bedload, and is validated satisfactorily against empirical expressions for sediment transport rates and the morphodynamic experiment of a migrating mining pit by Lee et al. (1993 J. Hydraul. Eng. 119 , 64-80 (doi:10.1061/(ASCE)0733-9429(1993)119:1(64))). Investigation into the effect of a local bed gradient on bedload leads to derivation of an analytical, physically meaningful expression for morphological diffusion induced by a non-zero local bed slope. Incorporation of the proposed morphological diffusion into a conventional morphodynamic model (defined as a coupling between the shallow water equations, Exner equation and an empirical formula for bedload) improves model predictions when applied to the evolution of a mining pit, without the need either to resort to special numerical treatment of the equations or to use additional tuning parameters.

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.

Effect of Nonionic Surfactant Additive in PEDOT:PSS on PFO Emission Layer in Organic-Inorganic Hybrid Light-Emitting Diode.

PubMed

Cho, Seong Rae; Porte, Yoann; Kim, Yun Cheol; Myoung, Jae-Min

2018-03-21

Poly(9,9-dioctylfluorene) (PFO) has attracted significant interests owing to its versatility in electronic devices. However, changes in its optical properties caused by its various phases and the formation of oxidation defects limit the application of PFO in light-emitting diodes (LEDs). We investigated the effects of the addition of Triton X-100 (hereinafter shortened as TX) in poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) to induce interlayer diffusion between PEDOT:PSS and PFO to enhance the stability of the PFO phase and suppress its oxidation. Photoluminescence (PL) measurement on PFO/TX-mixed PEDOT:PSS layers revealed that, upon increasing the concentration of TX in the PEDOT:PSS layer, the β phase of PFO could be suppressed in favor of the glassy phase and the wide PL emission centered at 535 nm caused by ketone defects formed by oxidation was decreased considerably. LEDs were then fabricated using PFO as an emission layer, TX-mixed PEDOT:PSS as hole-transport layer, and zinc oxide (ZnO) nanorods as electron-transport layer. As the TX concentration reached 3 wt %, the devices exhibited dramatic increases in current densities, which were attributed to the enhanced hole injection due to TX addition, along with a shift in the dominant emission wavelength from a green electroluminescence (EL) emission centered at 518 nm to a blue EL emission centered at 448 nm. The addition of TX in PEDOT:PSS induced a better hole injection in the PFO layer, and through interlayer diffusion, stabilized the glassy phase of PFO and limited the formation of oxidation defects.

Nitrogen-doped carbonaceous catalysts for gas-diffusion cathodes for alkaline aluminum-air batteries

NASA Astrophysics Data System (ADS)

Davydova, E. S.; Atamanyuk, I. N.; Ilyukhin, A. S.; Shkolnikov, E. I.; Zhuk, A. Z.

2016-02-01

Cobalt tetramethoxyphenyl porphyrin and polyacrylonitrile - based catalysts for oxygen reduction reaction were synthesized and characterized by means of SEM, TEM, XPS, BET, limited evaporation method, rotating disc and rotating ring-disc electrode methods. Half-cell and Al-air cell tests were carried out to determine the characteristics of gas-diffusion cathodes. Effect of active layer thickness and its composition on the characteristics of the gas-diffusion cathodes was investigated. Power density of 300 mW cm-2 was achieved for alkaline Al-air cell with an air-breathing polyacrylonitrile-based cathode.

Double diffusion in the frontal zones of the Yellow and East China Seas in winter

NASA Astrophysics Data System (ADS)

Oh, K.; Lee, S.

2017-12-01

Where the cold, fresh water of the Yellow Sea (YS) and the warm, salty water of the East China Sea (ECS) meet, northern and southern fronts are formed in the southeastern YS and the northwestern ECS, respectively. Strong thermohaline fronts are formed on the northern front, and a strong thermocline and a temperature reversal phenomenon are represented in this front. To understand the water structure of this thermohaline zone, we examined double diffusion in the frontal zones in February 2003 using hydrographic data. In the northern front, the warm, salty Cheju Warm Current Water (CWCW) moved northwards along the bottom layer and the cold, fresh Yellow Sea Cold Water (YSCW) flowed southward in the upper layer. As a result, strong thermohaline fronts forms in the area where the two water masses met, and the slope was developed downward across the front. In this area, a strong thermocline and temperature reversal structures were present. The cold, fresh Korean Coastal Water (KCW) was also found in the upper layer near the thermocline, and has a low-temperature, low-salinity more than surrounding water. When cold, fresh water is located over warm, salty water, heat diffuses through the interface between the two water masses, and then the diffusive-convection can be expected to occur. On the other hand, when warm, salty water overlays cold, fresh water, heat in the upper layer is preferentially transferred downward, and the salt-fingering occurs. The diffusive-convection occurs predominantly in the northern thermohaline front, where the cold, fresh YSCW is situated above the warm, salty CWCW and has the effect of strengthening stratification, so that the water column maintains a physically stable structure. In addition, this phenomenon seems to play a role in maintaining the reversal structure. The salt-fingering occurs in upper layers of the northern front where the cold, fresh YSCW is located over the most cold, fresh KCW. Near the northern thermo-halocline zone, the salt-fingering occurs simultaneously with the diffusive-convection, because three water masses, YSCW, KCW and CWCW, interact in that area. Therefore, it can be seen that the water structure of the northern frontal zone in winter is influenced mainly by the cold, fresh YSCW, the most cold, fresh KCW, and the warm, salty CWCW.

Effect of Size, Surface Charge, and Hydrophobicity of Poly(amidoamine) Dendrimers on Their Skin Penetration

PubMed Central

Yang, Yang; Sunoqrot, Suhair; Stowell, Chelsea; Ji, Jingli; Lee, Chan-Woo; Kim, Jin Woong; Khan, Seema A.; Hong, Seungpyo

2012-01-01

The barrier functions of the stratum corneum (SC) and the epidermal layers present a tremendous challenge in achieving effective transdermal delivery of drug molecules. Although a few reports have shown that poly(amidoamine) (PAMAM) dendrimers are effective skin penetration enhancers, little is known regarding the fundamental mechanisms behind the dendrimer-skin interactions. In this paper, we have performed a systematic study to better elucidate how dendrimers interact with skin layers depending on their size and surface groups. Franz diffusion cells and confocal microscopy were employed to observe dendrimer interactions with full-thickness porcine skin samples. We have found that smaller PAMAM dendrimers (generation 2 (G2)) penetrate the skin layers more efficiently than the larger ones (G4). We have also found that G2 PAMAM dendrimers that are surface modified by either acetylation or carboxylation exhibit increased skin permeation and likely diffuse through an extracellular pathway. In contrast, amine-terminated dendrimers show enhanced cell internalization and skin retention but reduced skin permeation. In addition, conjugation of oleic acid (OA) to G2 dendrimers increases their 1-octanol/PBS partition coefficient, resulting in increased skin absorption and retention. Here we report that size, surface charge, and hydrophobicity directly dictate the permeation route and efficiency of dendrimer translocation across the skin layers, providing a design guideline for engineering PAMAM dendrimers as a potential transdermal delivery vector. PMID:22621160

Measurement of effective bulk and contact resistance of gas diffusion layer under inhomogeneous compression - Part II: Thermal conductivity

NASA Astrophysics Data System (ADS)

Roy Chowdhury, Prabudhya; Vikram, Ajit; Phillips, Ryan K.; Hoorfar, Mina

2016-07-01

The gas diffusion layer (GDL) is a thin porous layer sandwiched between a bipolar plate (BPP) and a catalyst coated membrane in a fuel cell. Besides providing passage for water and gas transport from and to the catalyst layer, it is responsible for electron and heat transfer from and to the BPP. In this paper, a method has been developed to measure the GDL bulk thermal conductivity and the contact resistance at the GDL/BPP interface under inhomogeneous compression occurring in an actual fuel cell assembly. Toray carbon paper GDL TGP-H-060 was tested under a range of compression pressure of 0.34 to 1.71 MPa. The results showed that the thermal contact resistance decreases non-linearly (from 3.8 × 10-4 to 1.17 × 10-4 Km2 W-1) with increasing pressure due to increase in microscopic contact area between the GDL and BPP; while the effective bulk thermal conductivity increases (from 0.56 to 1.42 Wm-1 K-1) with increasing the compression pressure. The thermal contact resistance was found to be greater (by a factor of 1.6-2.8) than the effective bulk thermal resistance for all compression pressure ranges applied here. This measurement technique can be used to identify optimum GDL based on minimum bulk and contact resistances measured under inhomogeneous compression.

Solving of the coefficient inverse problems for a nonlinear singularly perturbed reaction-diffusion-advection equation with the final time data

NASA Astrophysics Data System (ADS)

Lukyanenko, D. V.; Shishlenin, M. A.; Volkov, V. T.

2018-01-01

We propose the numerical method for solving coefficient inverse problem for a nonlinear singularly perturbed reaction-diffusion-advection equation with the final time observation data based on the asymptotic analysis and the gradient method. Asymptotic analysis allows us to extract a priory information about interior layer (moving front), which appears in the direct problem, and boundary layers, which appear in the conjugate problem. We describe and implement the method of constructing a dynamically adapted mesh based on this a priory information. The dynamically adapted mesh significantly reduces the complexity of the numerical calculations and improve the numerical stability in comparison with the usual approaches. Numerical example shows the effectiveness of the proposed method.

Supersonic compressor

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

Roberts, II, William Byron; Lawlor, Shawn P.; Breidenthal, Robert E.

A supersonic compressor including a rotor to deliver a gas at supersonic conditions to a diffuser. The diffuser includes a plurality of aerodynamic ducts that have converging and diverging portions, for deceleration of gas to subsonic conditions and then for expansion of subsonic gas, to change kinetic energy of the gas to static pressure. The aerodynamic ducts include vortex generating structures for controlling boundary layer, and structures for changing the effective contraction ratio to enable starting even when the aerodynamic ducts are designed for high pressure ratios, and structures for boundary layer control. In an embodiment, aerodynamic ducts are providedmore » having an aspect ratio of in excess of two to one, when viewed in cross-section orthogonal to flow direction at an entrance to the aerodynamic duct.« less

High Temperature Oxidation of Hot-Dip Aluminized T92 Steels

NASA Astrophysics Data System (ADS)

Abro, Muhammad Ali; Hahn, Junhee; Lee, Dong Bok

2018-03-01

The T92 steel plate was hot-dip aluminized, and oxidized in order to characterize the high-temperature oxidation behavior of hot-dip aluminized T92 steel. The coating consisted of Al-rich topcoat with scattered Al3Fe grains, Al3Fe-rich upper alloy layer with scattered (Al, Al5Fe2, AlFe)-grains, and Al5Fe2-rich lower alloy layer with scattered (Al5Fe2, AlFe)-grains. Oxidation at 800 °C for 20 h formed (α-Al2O3 scale)/(AlFe layer)/(AlFe3 layer)/(α-Fe(Al) layer), while oxidation at 900 °C for 20 h formed (α-Al2O3 scale plus some Fe2O3)/(AlFe layer)/(AlFe3 layer)/(α-Fe(Al) layer) from the surface. During oxidation, outward migration of all substrate elements, inward diffusion of oxygen, and back and forth diffusion of Al occurred according to concentration gradients. Also, diffusion transformed and broadened AlFe and AlFe3 layers dissolved with some oxygen and substrate alloying elements. Hot-dip aluminizing improved the high-temperature oxidation resistance of T92 steel through preferential oxidation of Al at the surface.

High Temperature Oxidation of Hot-Dip Aluminized T92 Steels

NASA Astrophysics Data System (ADS)

Abro, Muhammad Ali; Hahn, Junhee; Lee, Dong Bok

2018-05-01

The T92 steel plate was hot-dip aluminized, and oxidized in order to characterize the high-temperature oxidation behavior of hot-dip aluminized T92 steel. The coating consisted of Al-rich topcoat with scattered Al3Fe grains, Al3Fe-rich upper alloy layer with scattered (Al, Al5Fe2, AlFe)-grains, and Al5Fe2-rich lower alloy layer with scattered (Al5Fe2, AlFe)-grains. Oxidation at 800 °C for 20 h formed (α-Al2O3 scale)/(AlFe layer)/(AlFe3 layer)/(α-Fe(Al) layer), while oxidation at 900 °C for 20 h formed (α-Al2O3 scale plus some Fe2O3)/(AlFe layer)/(AlFe3 layer)/(α-Fe(Al) layer) from the surface. During oxidation, outward migration of all substrate elements, inward diffusion of oxygen, and back and forth diffusion of Al occurred according to concentration gradients. Also, diffusion transformed and broadened AlFe and AlFe3 layers dissolved with some oxygen and substrate alloying elements. Hot-dip aluminizing improved the high-temperature oxidation resistance of T92 steel through preferential oxidation of Al at the surface.

Testing conceptual and physically based soil hydrology schemes against observations for the Amazon Basin

NASA Astrophysics Data System (ADS)

Guimberteau, M.; Ducharne, A.; Ciais, P.; Boisier, J. P.; Peng, S.; De Weirdt, M.; Verbeeck, H.

2014-06-01

This study analyzes the performance of the two soil hydrology schemes of the land surface model ORCHIDEE in estimating Amazonian hydrology and phenology for five major sub-basins (Xingu, Tapajós, Madeira, Solimões and Negro), during the 29-year period 1980-2008. A simple 2-layer scheme with a bucket topped by an evaporative layer is compared to an 11-layer diffusion scheme. The soil schemes are coupled with a river routing module and a process model of plant physiology, phenology and carbon dynamics. The simulated water budget and vegetation functioning components are compared with several data sets at sub-basin scale. The use of the 11-layer soil diffusion scheme does not significantly change the Amazonian water budget simulation when compared to the 2-layer soil scheme (+3.1 and -3.0% in evapotranspiration and river discharge, respectively). However, the higher water-holding capacity of the soil and the physically based representation of runoff and drainage in the 11-layer soil diffusion scheme result in more dynamic soil water storage variation and improved simulation of the total terrestrial water storage when compared to GRACE satellite estimates. The greater soil water storage within the 11-layer scheme also results in increased dry-season evapotranspiration (+0.5 mm d-1, +17%) and improves river discharge simulation in the southeastern sub-basins such as the Xingu. Evapotranspiration over this sub-basin is sustained during the whole dry season with the 11-layer soil diffusion scheme, whereas the 2-layer scheme limits it after only 2 dry months. Lower plant drought stress simulated by the 11-layer soil diffusion scheme leads to better simulation of the seasonal cycle of photosynthesis (GPP) when compared to a GPP data-driven model based on eddy covariance and satellite greenness measurements. A dry-season length between 4 and 7 months over the entire Amazon Basin is found to be critical in distinguishing differences in hydrological feedbacks between the soil and the vegetation cover simulated by the two soil schemes. On average, the multilayer soil diffusion scheme provides little improvement in simulated hydrology over the wet tropical Amazonian sub-basins, but a more significant improvement is found over the drier sub-basins. The use of a multilayer soil diffusion scheme might become critical for assessments of future hydrological changes, especially in southern regions of the Amazon Basin where longer dry seasons and more severe droughts are expected in the next century.

What is the copper thin film thickness effect on thermal properties of NiTi/Cu bi-layer?

NASA Astrophysics Data System (ADS)

Fazeli, Sara; Vahedpour, Morteza; Khatiboleslam Sadrnezhaad, Sayed

2017-02-01

Molecular dynamics (MD) simulation was used to study of thermal properties of NiTi/Cu. Embedded atom method (EAM) potentials for describing of inter-atomic interaction and Nose-Hoover thermostat and barostat are employed. The melting of the bi-layers was considered by studying the temperature dependence of the cohesive energy and mean square displacement. To highlight the differences between bi-layers with various copper layer thickness, the effect of copper film thickness on thermal properties containing the cohesive energy, melting point, isobaric heat capacity and latent heat of fusion was estimated. The results show that thermal properties of bi-layer systems are higher than that of their corresponding of pure NiTi. But, these properties of bi-layer systems approximately are independent of copper film thicknesses. The mean square displacement (MSD) results show that, the diffusion coefficients enhance upon increasing of copper film thickness in a linear performance.

Protective coatings for sensitive materials

DOEpatents

Egert, C.M.

1997-08-05

An enhanced protective coating is disclosed to prevent interaction between constituents of the environment and devices that can be damaged by those constituents. This coating is provided by applying a synergistic combination of diffusion barrier and physical barrier materials. These materials can be, for example, in the form of a plurality of layers of a diffusion barrier and a physical barrier, with these barrier layers being alternated. Further protection in certain instances is provided by including at least one layer of a getter material to actually react with one or more of the deleterious constituents. The coating is illustrated by using alternating layers of an organic coating (such as Parylene-C{trademark}) as the diffusion barrier, and a metal coating (such as aluminum) as the physical barrier. For best results there needs to be more than one of at least one of the constituent layers. 4 figs.

Effect of Reynolds number and saturation level on gas diffusion in and out of a superhydrophobic surface

NASA Astrophysics Data System (ADS)

Ling, Hangjian; Katz, Joseph; Fu, Matthew; Hultmark, Marcus

2017-12-01

This experimental study investigates the effects of ambient pressure and Reynolds number on the volume of a plastron in a superhydrophobic surface (SHS) due to compression and gas diffusion. The hierarchical SHS consists of nanotextured, ˜100 μm wide spanwise grooves. Microscopic observations measure the time evolution of interface height and contact angle. The water tunnel tests are performed both without flow as well as in transitional and turbulent boundary layers at several Reynolds numbers. Particle image velocimetry is used for estimating the wall shear stress and calculating the momentum thickness for the SHSs under Cassie-Baxter (CB) and Wenzel states as well as a smooth wall at the same conditions. Holographic microscopy is used for determining the wall shear stress directly for one of the CB cases. The mass diffusion rate is calculated from changes to the plastron volume when the liquid is under- or supersaturated. For stationary water, the mass diffusion is slow. With increasing pressure, the interface is initially pinned and then migrates into the groove with high advancing contact angle. Upon subsequent decrease in pressure, the interface migrates upward at a shallow angle and, after being pinned to the tip corner, becomes convex. With flow and exposure to undersaturated liquid, the diffusion-induced wetting also involves pinned and downward migration states, followed by shrinkage of the plastron until it decreases below the resolution limit. The corresponding changes to the velocity profile indicate a transition from slight drag reduction to significant drag increase. In supersaturated water starting at a Wenzel state, a bubble grows from one of the bottom corners until it reaches the other side of the groove. Subsequently, dewetting involves upward migration of the interface, pinning to the tip corners, and formation of a convex interface. The diffusion rate increases with the level of under- or supersaturation and with the Reynolds number. A power law relation, S hΘ 0=0.47 ReΘ0 0.77 , is obtained for the turbulent flow regime using the smooth wall momentum thickness for calculating the Sherwood (S hΘ 0 ) and Reynolds (R eΘ 0 ) numbers. This relation agrees with published diffusion rates for smooth wall turbulent boundary layers. However, the mass diffusion rate is lower than this prediction in the transitional boundary layer. When S hΘ 0 is plotted against the friction Reynolds number (R eτ 0 ) instead, both the transitional and turbulent boundary layer results collapse onto a single power law, S hΘ 0=0.34 Reτ0 0.913 . This trend suggests that turbulent diffusion and wall friction are correlated. The relation between Sherwood number and momentum thickness Reynolds number persists if length scales of the Wenzel state are used instead of those of the smooth wall. However, trends with the friction Reynolds number change slightly.

Analytical and numerical solutions for mass diffusion in a composite cylindrical body

NASA Astrophysics Data System (ADS)

Kumar, A.

1980-12-01

The analytical and numerical solution techniques were investigated to study moisture diffusion problems in cylindrical bodies that are assumed to be composed of a finite number of layers of different materials. A generalized diffusion model for an n-layer cylindrical body with discontinuous moisture content at the interfaces was developed and the formal solutions were obtained. The model is to be used for describing mass transfer rates of any composite body, such as an ear of corn which could be assumed of consisting two different layers: the inner core represents the woody cob and the outer cylinder represents the kernel layer. Data describing the fully exposed drying characteristics of ear corn at high air velocity were obtained under different drying conditions. Ear corns were modeled as homogeneous bodies since composite model did not improve the fit substantially. A computer program using multidimensional optimization technique showed that diffusivity was an exponential function of moisture content and an arrhenius function of temperature of drying air.

Progress on Fabrication of Planar Diffusion Couples with Representative TRISO PyC/SiC Microstructure

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

Hunn, John D.; Jolly, Brian C.; Gerczak, Tyler J.

Release of fission products from tristructural-isotropic (TRISO) coated particle fuel limits the fuel’s operational lifetime and creates potential safety and maintenance concerns. A need for diffusion analysis in representative TRISO layers exists to provide fuel performance models with high fidelity data to improve fuel performance and efficiency. An effort has been initiated to better understand fission product transport in, and release from, quality TRISO fuel by investigating diffusion couples with representative pyrocarbon (PyC) and silicon carbide (SiC). Here planar PyC/SiC diffusion couples are being developed with representative PyC/SiC layers using a fluidized bed chemical vapor deposition (FBCVD) system identical tomore » those used to produce laboratory-scale TRISO fuel for the Advanced Gas Reactor Fuel Qualification and Development Program’s (AGR) first fuel irradiation. The diffusivity of silver, the silver and palladium system, europium, and strontium in the PyC/SiC will be studied at elevated temperatures and under high temperature neutron irradiation. The study also includes a comparative study of PyC/SiC diffusion couples with varying TRISO layer properties to understand the influence of SiC microstructure (grain size) and the PyC/SiC interface on fission product transport. The first step in accomplishing these goals is the development of the planar diffusion couples. The diffusion couple construction consists of multiple steps which includes fabrication of the primary PyC/SiC structures with targeted layer properties, introduction of fission product species and seal coating to create an isolated system. Coating development has shown planar PyC/SiC diffusion couples with similar properties to AGR TRISO fuel can be produced. A summary of the coating development process, characterization methods, and status are presented.« less

Possible effects of free convection on fire behavior - laminar and turbulent line and point sources of heat

Treesearch

S. Scesa; F. M. Sauer

1954-01-01

The transfer theory is applied to the problem of atmospheric diffusion of momentum and heat induced by line and point sources of heat on the surface of the earth. In order that the validity of the approximations of the boundary layer theory be realized, the thickness of the layer in which the temperatures and velocities differ appreciably from the values at...

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.

Spiral-wave dynamics in a mathematical model of human ventricular tissue with myocytes and Purkinje fibers.

PubMed

Nayak, Alok Ranjan; Panfilov, A V; Pandit, Rahul

2017-02-01

We present systematic numerical studies of the possible effects of the coupling of human endocardial and Purkinje cells at cellular and two-dimensional tissue levels. We find that the autorhythmic-activity frequency of the Purkinje cell in a composite decreases with an increase in the coupling strength; this can even eliminate the autorhythmicity. We observe a delay between the beginning of the action potentials of endocardial and Purkinje cells in a composite; such a delay increases as we decrease the diffusive coupling, and eventually a failure of transmission occurs. An increase in the diffusive coupling decreases the slope of the action-potential-duration-restitution curve of an endocardial cell in a composite. By using a minimal model for the Purkinje network, in which we have a two-dimensional, bilayer tissue, with a layer of Purkinje cells on top of a layer of endocardial cells, we can stabilize spiral-wave turbulence; however, for a sparse distribution of Purkinje-ventricular junctions, at which these two layers are coupled, we can also obtain additional focal activity and many complex transient regimes. We also present additional effects resulting from the coupling of Purkinje and endocardial layers and discuss the relation of our results to the studies performed in anatomically accurate models of the Purkinje network.

Spiral-wave dynamics in a mathematical model of human ventricular tissue with myocytes and Purkinje fibers

NASA Astrophysics Data System (ADS)

Nayak, Alok Ranjan; Panfilov, A. V.; Pandit, Rahul

2017-02-01

We present systematic numerical studies of the possible effects of the coupling of human endocardial and Purkinje cells at cellular and two-dimensional tissue levels. We find that the autorhythmic-activity frequency of the Purkinje cell in a composite decreases with an increase in the coupling strength; this can even eliminate the autorhythmicity. We observe a delay between the beginning of the action potentials of endocardial and Purkinje cells in a composite; such a delay increases as we decrease the diffusive coupling, and eventually a failure of transmission occurs. An increase in the diffusive coupling decreases the slope of the action-potential-duration-restitution curve of an endocardial cell in a composite. By using a minimal model for the Purkinje network, in which we have a two-dimensional, bilayer tissue, with a layer of Purkinje cells on top of a layer of endocardial cells, we can stabilize spiral-wave turbulence; however, for a sparse distribution of Purkinje-ventricular junctions, at which these two layers are coupled, we can also obtain additional focal activity and many complex transient regimes. We also present additional effects resulting from the coupling of Purkinje and endocardial layers and discuss the relation of our results to the studies performed in anatomically accurate models of the Purkinje network.

Chemistry and Formation of the Beilby Layer During Polishing of Fused Silica Glass

DOE PAGES

Suratwala, Tayyab; Steele, William; Wong, Lana; ...

2015-05-19

The chemical characteristics and the proposed formation mechanisms of the modified surface layer (called the Beilby layer) on polished fused silica glasses are described. Fused silica glass samples were polished using different slurries, polyurethane pads, and at different rotation rates. The concentration profiles of several key contaminants, such as Ce, K, and H, were measured in the near surface layer of the polished samples using Secondary Ion Mass Spectroscopy (SIMS). The penetration of K, originating from KOH used for pH control during polishing, decreased with increase in polishing material removal rate. In contrast, penetration of the Ce and H increasedmore » with increase in polishing removal rate. In addition, Ce penetration was largely independent of the other polishing parameters (e.g., particle size distribution and the properties of the polishing pad). The resulting K concentration depth profiles are described using a two-step diffusion process: (1) steady-state moving boundary diffusion (due to material removal during polishing) followed by (2) simple diffusion during ambient postpolishing storage. Using known alkali metal diffusion coefficients in fused silica glass, this diffusion model predicts concentration profiles that are consistent with the measured data at various polishing material removal rates. On the other hand, the observed Ce profiles are inconsistent with diffusion based transport. Rather we propose that Ce penetration is governed by the ratio of Ce–O–Si and Si–O–Si hydrolysis rates; where this ratio increases with interface temperature (which increases with polishing material removal rate) resulting in greater Ce penetration into the Beilby layer. Calculated Ce surface concentrations using this mechanism are in good agreement to the observed change in measured Ce surface concentrations with polishing material removal rate. In conclusion, these new insights into the chemistry of the Beilby layer, combined together with details of the single particle removal function during polishing, are used to develop a more detailed and quantitative picture of the polishing process and the formation of the Beilby layer.« less

Diffuse Reflectance Spectroscopy of Hidden Objects, Part I: Interpretation of the Reflection-Absorption-Scattering Fractions in Near-Infrared (NIR) Spectra of Polyethylene Films.

PubMed

Pomerantsev, Alexey L; Rodionova, Oxana Ye; Skvortsov, Alexej N

2017-08-01

Investigation of a sample covered by an interfering layer is required in many fields, e.g., for process control, biochemical analysis, and many other applications. This study is based on the analysis of spectra collected by near-infrared (NIR) diffuse reflectance spectroscopy. Each spectrum is a composition of a useful, target spectrum and a spectrum of an interfering layer. To recover the target spectrum, we suggest using a new phenomenological approach, which employs the multivariate curve resolution (MCR) method. In general terms, the problem is very complex. We start with a specific problem of analyzing a system, which consists of several layers of polyethylene (PE) film and underlayer samples with known spectral properties. To separate information originating from PE layers and the target, we modify the system versus both the number of the PE layers as well as the reflectance properties of the target sample. We consider that the interfering spectrum of the layer can be modeled using three components, which can be tentatively called transmission, absorption, and scattering contributions. The novelty of our approach is that we do not remove the reflectance and scattering effects from the spectra, but study them in detail aiming to use this information to recover the target spectrum.

A 2.5D Reactive Transport Model for Fracture Alteration Simulation

DOE PAGES

Deng, Hang; Molins, Sergi; Steefel, Carl; ...

2016-06-30

Understanding fracture alteration resulting from geochemical reactions is critical in predicting fluid migration in the subsurface and is relevant to multiple environmental challenges. Here in this paper, we present a novel 2.5D continuum reactive transport model that captures and predicts the spatial pattern of fracture aperture change and the development of an altered layer in the near-fracture region. The model considers permeability heterogeneity in the fracture plane and updates fracture apertures and flow fields based on local reactions. It tracks the reaction front of each mineral phase and calculates the thickness of the altered layer. Given this treatment, the modelmore » is able to account for the diffusion limitation on reaction rates associated with the altered layer. The model results are in good agreement with an experimental study in which a CO 2-acidified brine was injected into a fracture in the Duperow Dolomite, causing dissolution of calcite and dolomite that result in the formation of a preferential flow channel and an altered layer. Finally, with an effective diffusion coefficient consistent with the experimentally observed porosity of the altered layer, the model captures the progressive decrease in the dissolution rate of the fast-reacting mineral in the altered layer.« less

Improvements of anti-corrosion and mechanical properties of NiTi orthopedic materials by acetylene, nitrogen and oxygen plasma immersion ion implantation

NASA Astrophysics Data System (ADS)

Poon, Ray W. Y.; Ho, Joan P. Y.; Liu, Xuanyong; Chung, C. Y.; Chu, Paul K.; Yeung, Kelvin W. K.; Lu, William W.; Cheung, Kenneth M. C.

2005-08-01

Nickel-titanium shape memory alloys (NiTi) are useful materials in orthopedics and orthodontics due to their unique super-elasticity and shape memory effects. However, the problem associated with the release of harmful Ni ions to human tissues and fluids has been raising safety concern. Hence, it is necessary to produce a surface barrier to impede the out-diffusion of Ni ions from the materials. We have conducted acetylene, nitrogen and oxygen plasma immersion ion implantation (PIII) into NiTi alloys in an attempt to improve the surface properties. All the implanted and annealed samples surfaces exhibit outstanding corrosion and Ni out-diffusion resistance. Besides, the implanted layers are mechanically stronger than the substrate underneath. XPS analyses disclose that the layer formed by C2H2 PIII is composed of mainly TiCx with increasing Ti to C concentration ratios towards the bulk. The nitrogen PIII layer is observed to be TiN, whereas the oxygen PIII layer is composed of oxides of Ti4+, Ti3+ and Ti2+.

Micro-porous layer stochastic reconstruction and transport parameter determination

NASA Astrophysics Data System (ADS)

El Hannach, Mohamed; Singh, Randhir; Djilali, Ned; Kjeang, Erik

2015-05-01

The Micro-Porous Layer (MPL) is a porous, thin layer commonly used in fuel cells at the interfaces between the catalyst layers and gas diffusion media. It is generally made from spherical carbon nanoparticles and PTFE acting as hydrophobic agent. The scale and brittle nature of the MPL structure makes it challenging to study experimentally. In the present work, a 3D stochastic model is developed to virtually reconstruct the MPL structure. The carbon nanoparticle and PTFE phases are fully distinguished by the algorithm. The model is shown to capture the actual structural morphology of the MPL and is validated by comparing the results to available experimental data. The model shows a good capability in generating a realistic MPL successfully using a set of parameters introduced to capture specific morphological features of the MPL. A numerical model that resolves diffusive transport at the pore scale is used to compute the effective transport properties of the reconstructed MPLs. A parametric study is conducted to illustrate the capability of the model as an MPL design tool that can be used to guide and optimize the functionality of the material.

Multifunctional Organic-Semiconductor Interfacial Layers for Solution-Processed Oxide-Semiconductor Thin-Film Transistor.

PubMed

Kwon, Guhyun; Kim, Keetae; Choi, Byung Doo; Roh, Jeongkyun; Lee, Changhee; Noh, Yong-Young; Seo, SungYong; Kim, Myung-Gil; Kim, Choongik

2017-06-01

The stabilization and control of the electrical properties in solution-processed amorphous-oxide semiconductors (AOSs) is crucial for the realization of cost-effective, high-performance, large-area electronics. In particular, impurity diffusion, electrical instability, and the lack of a general substitutional doping strategy for the active layer hinder the industrial implementation of copper electrodes and the fine tuning of the electrical parameters of AOS-based thin-film transistors (TFTs). In this study, the authors employ a multifunctional organic-semiconductor (OSC) interlayer as a solution-processed thin-film passivation layer and a charge-transfer dopant. As an electrically active impurity blocking layer, the OSC interlayer enhances the electrical stability of AOS TFTs by suppressing the adsorption of environmental gas species and copper-ion diffusion. Moreover, charge transfer between the organic interlayer and the AOS allows the fine tuning of the electrical properties and the passivation of the electrical defects in the AOS TFTs. The development of a multifunctional solution-processed organic interlayer enables the production of low-cost, high-performance oxide semiconductor-based circuits. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis, performance, and modeling of immobilized nano-sized magnetite layer for phosphate removal.

PubMed

Zach-Maor, Adva; Semiat, Raphael; Shemer, Hilla

2011-05-15

A homogeneous layer of nano-sized magnetite particles (<4 nm) was synthesized by impregnation of modified granular activated carbon (GAC) with ferric chloride, for effective removal of phosphate. A proposed mechanism for the modification and formation of magnetite onto the GAC is specified. BET results showed a significant increase in the surface area of the matrix following iron loading, implying that a porous nanomagnetite layer was formed. Batch adsorption experiments revealed high efficiency of phosphate removal, by the newly developed adsorbent, attaining maximum adsorption capacity of 435 mg PO(4)/g Fe (corresponding to 1.1 mol PO(4)/mol Fe(3)O(4)). It was concluded that initially phosphate was adsorbed by the active sites on the magnetite surface, and then it diffused into the interior pores of the nanomagnetite layer. It was demonstrated that the latter is the rate-determining step for the process. Innovative correlation of the diffusion mechanism with the unique adsorption properties of the synthesized adsorbent is presented. Copyright © 2011 Elsevier Inc. All rights reserved.

Enhanced Atom Mobility on the Surface of a Metastable Film

NASA Astrophysics Data System (ADS)

Picone, A.; Riva, M.; Fratesi, G.; Brambilla, A.; Bussetti, G.; Finazzi, M.; Duò, L.; Ciccacci, F.

2014-07-01

A remarkable enhancement of atomic diffusion is highlighted by scanning tunneling microscopy performed on ultrathin metastable body-centered tetragonal Co films grown on Fe(001). The films follow a nearly perfect layer-by-layer growth mode with a saturation island density strongly dependent on the layer on which the nucleation occurs, indicating a lowering of the diffusion barrier. Density functional theory calculations reveal that this phenomenon is driven by the increasing capability of the film to accommodate large deformations as the thickness approaches the limit at which a structural transition occurs. These results disclose the possibility of tuning surface diffusion dynamics and controlling cluster nucleation and self-organization.

Enhanced atom mobility on the surface of a metastable film.

PubMed

Picone, A; Riva, M; Fratesi, G; Brambilla, A; Bussetti, G; Finazzi, M; Duò, L; Ciccacci, F

2014-07-25

A remarkable enhancement of atomic diffusion is highlighted by scanning tunneling microscopy performed on ultrathin metastable body-centered tetragonal Co films grown on Fe(001). The films follow a nearly perfect layer-by-layer growth mode with a saturation island density strongly dependent on the layer on which the nucleation occurs, indicating a lowering of the diffusion barrier. Density functional theory calculations reveal that this phenomenon is driven by the increasing capability of the film to accommodate large deformations as the thickness approaches the limit at which a structural transition occurs. These results disclose the possibility of tuning surface diffusion dynamics and controlling cluster nucleation and self-organization.

Bifunctional catalytic electrode

NASA Technical Reports Server (NTRS)

Cisar, Alan (Inventor); Murphy, Oliver J. (Inventor); Clarke, Eric (Inventor)

2005-01-01

The present invention relates to an oxygen electrode for a unitized regenerative hydrogen-oxygen fuel cell and the unitized regenerative fuel cell having the oxygen electrode. The oxygen electrode contains components electrocatalytically active for the evolution of oxygen from water and the reduction of oxygen to water, and has a structure that supports the flow of both water and gases between the catalytically active surface and a flow field or electrode chamber for bulk flow of the fluids. The electrode has an electrocatalyst layer and a diffusion backing layer interspersed with hydrophilic and hydrophobic regions. The diffusion backing layer consists of a metal core having gas diffusion structures bonded to the metal core.

Prediction of the moments in advection-diffusion lattice Boltzmann method. II. Attenuation of the boundary layers via double-Λ bounce-back flux scheme.

PubMed

Ginzburg, Irina

2017-01-01

Impact of the unphysical tangential advective-diffusion constraint of the bounce-back (BB) reflection on the impermeable solid surface is examined for the first four moments of concentration. Despite the number of recent improvements for the Neumann condition in the lattice Boltzmann method-advection-diffusion equation, the BB rule remains the only known local mass-conserving no-flux condition suitable for staircase porous geometry. We examine the closure relation of the BB rule in straight channel and cylindrical capillary analytically, and show that it excites the Knudsen-type boundary layers in the nonequilibrium solution for full-weight equilibrium stencil. Although the d2Q5 and d3Q7 coordinate schemes are sufficient for the modeling of isotropic diffusion, the full-weight stencils are appealing for their advanced stability, isotropy, anisotropy and anti-numerical-diffusion ability. The boundary layers are not covered by the Chapman-Enskog expansion around the expected equilibrium, but they accommodate the Chapman-Enskog expansion in the bulk with the closure relation of the bounce-back rule. We show that the induced boundary layers introduce first-order errors in two primary transport properties, namely, mean velocity (first moment) and molecular diffusion coefficient (second moment). As a side effect, the Taylor-dispersion coefficient (second moment), skewness (third moment), and kurtosis (fourth moment) deviate from their physical values and predictions of the fourth-order Chapman-Enskog analysis, even though the kurtosis error in pure diffusion does not depend on grid resolution. In two- and three-dimensional grid-aligned channels and open-tubular conduits, the errors of velocity and diffusion are proportional to the diagonal weight values of the corresponding equilibrium terms. The d2Q5 and d3Q7 schemes do not suffer from this deficiency in grid-aligned geometries but they cannot avoid it if the boundaries are not parallel to the coordinate lines. In order to vanish or attenuate the disparity of the modeled transport coefficients with the equilibrium weights without any modification of the BB rule, we propose to use the two-relaxation-times collision operator with free-tunable product of two eigenfunctions Λ. Two different values Λ_{v} and Λ_{b} are assigned for bulk and boundary nodes, respectively. The rationale behind this is that Λ_{v} is adjustable for stability, accuracy, or other purposes, while the corresponding Λ_{b}(Λ_{v}) controls the primary accommodation effects. Two distinguished but similar functional relations Λ_{b}(Λ_{v}) are constructed analytically: they preserve advection velocity in parabolic profile, exactly in the two-dimensional channel and very accurately in a three-dimensional cylindrical capillary. For any velocity-weight stencil, the (local) double-Λ BB scheme produces quasi-identical solutions with the (nonlocal) specular-forward reflection for first four moments in a channel. In a capillary, this strategy allows for the accurate modeling of the Taylor-dispersion and non-Gaussian effects. As illustrative example, it is shown that in the flow around a circular obstacle, the double-Λ scheme may also vanish the dependency of mean velocity on the velocity weight; the required value for Λ_{b}(Λ_{v}) can be identified in a few bisection iterations in given geometry. A positive solution for Λ_{b}(Λ_{v}) may not exist in pure diffusion, but a sufficiently small value of Λ_{b} significantly reduces the disparity in diffusion coefficient with the mass weight in ducts and in the presence of rectangular obstacles. Although Λ_{b} also controls the effective position of straight or curved boundaries, the double-Λ scheme deals with the lower-order effects. Its idea and construction may help understanding and amelioration of the anomalous, zero- and first-order behavior of the macroscopic solution in the presence of the bulk and boundary or interface discontinuities, commonly found in multiphase flow and heterogeneous transport.

Prediction of the moments in advection-diffusion lattice Boltzmann method. II. Attenuation of the boundary layers via double-Λ bounce-back flux scheme

NASA Astrophysics Data System (ADS)

Ginzburg, Irina

2017-01-01

Impact of the unphysical tangential advective-diffusion constraint of the bounce-back (BB) reflection on the impermeable solid surface is examined for the first four moments of concentration. Despite the number of recent improvements for the Neumann condition in the lattice Boltzmann method-advection-diffusion equation, the BB rule remains the only known local mass-conserving no-flux condition suitable for staircase porous geometry. We examine the closure relation of the BB rule in straight channel and cylindrical capillary analytically, and show that it excites the Knudsen-type boundary layers in the nonequilibrium solution for full-weight equilibrium stencil. Although the d2Q5 and d3Q7 coordinate schemes are sufficient for the modeling of isotropic diffusion, the full-weight stencils are appealing for their advanced stability, isotropy, anisotropy and anti-numerical-diffusion ability. The boundary layers are not covered by the Chapman-Enskog expansion around the expected equilibrium, but they accommodate the Chapman-Enskog expansion in the bulk with the closure relation of the bounce-back rule. We show that the induced boundary layers introduce first-order errors in two primary transport properties, namely, mean velocity (first moment) and molecular diffusion coefficient (second moment). As a side effect, the Taylor-dispersion coefficient (second moment), skewness (third moment), and kurtosis (fourth moment) deviate from their physical values and predictions of the fourth-order Chapman-Enskog analysis, even though the kurtosis error in pure diffusion does not depend on grid resolution. In two- and three-dimensional grid-aligned channels and open-tubular conduits, the errors of velocity and diffusion are proportional to the diagonal weight values of the corresponding equilibrium terms. The d2Q5 and d3Q7 schemes do not suffer from this deficiency in grid-aligned geometries but they cannot avoid it if the boundaries are not parallel to the coordinate lines. In order to vanish or attenuate the disparity of the modeled transport coefficients with the equilibrium weights without any modification of the BB rule, we propose to use the two-relaxation-times collision operator with free-tunable product of two eigenfunctions Λ . Two different values Λv and Λb are assigned for bulk and boundary nodes, respectively. The rationale behind this is that Λv is adjustable for stability, accuracy, or other purposes, while the corresponding Λb(Λv) controls the primary accommodation effects. Two distinguished but similar functional relations Λb(Λv) are constructed analytically: they preserve advection velocity in parabolic profile, exactly in the two-dimensional channel and very accurately in a three-dimensional cylindrical capillary. For any velocity-weight stencil, the (local) double-Λ BB scheme produces quasi-identical solutions with the (nonlocal) specular-forward reflection for first four moments in a channel. In a capillary, this strategy allows for the accurate modeling of the Taylor-dispersion and non-Gaussian effects. As illustrative example, it is shown that in the flow around a circular obstacle, the double-Λ scheme may also vanish the dependency of mean velocity on the velocity weight; the required value for Λb(Λv) can be identified in a few bisection iterations in given geometry. A positive solution for Λb(Λv) may not exist in pure diffusion, but a sufficiently small value of Λb significantly reduces the disparity in diffusion coefficient with the mass weight in ducts and in the presence of rectangular obstacles. Although Λb also controls the effective position of straight or curved boundaries, the double-Λ scheme deals with the lower-order effects. Its idea and construction may help understanding and amelioration of the anomalous, zero- and first-order behavior of the macroscopic solution in the presence of the bulk and boundary or interface discontinuities, commonly found in multiphase flow and heterogeneous transport.

Separation of the Stern and diffuse layer in coarse-grained models: the cases of phosphatidyl serine, phosphatidic acid, and PIP2 monolayers.

PubMed

Vangaveti, S; Travesset, A

2014-12-28

We present here a method to separate the Stern and diffuse layer in general systems into two regions that can be analyzed separately. The Stern layer can be described in terms of Bjerrum pairing and the diffuse layer in terms of Poisson-Boltzmann theory (monovalent) or strong coupling theory plus a slowly decaying tail (divalent). We consider three anionic phospholipids: phosphatidyl serine, phosphatidic acid, and phosphatidylinositol(4,5)bisphosphate (PIP2), which we describe within a minimal coarse-grained model as a function of ionic concentration. The case of mixed lipid systems is also considered, which shows a high level of binding cooperativity as a function of PIP2 localization. Implications for existing experimental systems of lipid heterogeneities are also discussed.

Separation of the Stern and diffuse layer in coarse-grained models: The cases of phosphatidyl serine, phosphatidic acid, and PIP2 monolayers

NASA Astrophysics Data System (ADS)

Vangaveti, S.; Travesset, A.

2014-12-01

We present here a method to separate the Stern and diffuse layer in general systems into two regions that can be analyzed separately. The Stern layer can be described in terms of Bjerrum pairing and the diffuse layer in terms of Poisson-Boltzmann theory (monovalent) or strong coupling theory plus a slowly decaying tail (divalent). We consider three anionic phospholipids: phosphatidyl serine, phosphatidic acid, and phosphatidylinositol(4,5)bisphosphate (PIP2), which we describe within a minimal coarse-grained model as a function of ionic concentration. The case of mixed lipid systems is also considered, which shows a high level of binding cooperativity as a function of PIP2 localization. Implications for existing experimental systems of lipid heterogeneities are also discussed.

Fluorescence Correlation Spectroscopy to Study Diffusion of Polymer Chains within Layered Hydrogen-Bonded Polymer Films

NASA Astrophysics Data System (ADS)

Pristinski, Denis; Kharlampieva, Evguenia; Sukhishvili, Svetlana

2002-03-01

Fluorescence Correlation Spectroscopy (FCS) has been used to probe molecular motions within polymer multilayers formed by hydrogen-bonding sequential self-assembly. Polyethylene glycol (PEG) molecules were end-labeled with the fluorescent tags, and self-assembled with polymethacrylic acid (PMAA) using layer-by-layer deposition. We have found that molecules included in the top adsorbed layer have significant mobility at the millisecond time scale, probably due to translational diffusion. However, their dynamics deviate from classical Brownian motion with a single diffusion time. Possible reasons for the deviation are discussed. We found that motions were significantly slowed with increasing depth within the PEG/PMAA multilayer. This phenomena occured in a narrow pH range around 4.0 in which intermolecular interactions were relatively weak.

Variable Refractive Index Effects on Radiation in Semitransparent Scattering Multilayered Regions

NASA Technical Reports Server (NTRS)

Siegel, R.; Spuckler, C. M.

1993-01-01

A simple set of equations is derived for predicting the temperature distribution and radiative energy flow in a semitransparent layer consisting of an arbitrary number of laminated sublayers that absorb, emit, and scatter radiation. Each sublayer can have a different refractive index and optical thickness. The plane composite region is heated on each exterior side by a different amount of incident radiation. The results are for the limiting case where heat conduction within the layers is very small relative to radiative transfer, and is neglected. The interfaces are assumed diffuse, and all interface reflections are included in the analysis. The thermal behavior is readily calculated from the analytical expressions that are obtained. By using many sublayers, expressions provide the temperature distribution and heat flow for a diffusing medium with a continually varying refractive index, including internal reflection effects caused by refractive index gradients. Temperature and heat flux results are given to show the effect of variations in refractive index and optical thickness through the multilayer laminate.

Flow and dispersion in anisotropic porous media: A lattice-Boltzmann study

NASA Astrophysics Data System (ADS)

Maggiolo, D.; Picano, F.; Guarnieri, M.

2016-10-01

Given their capability of spreading active chemical species and collecting electricity, porous media made of carbon fibers are extensively used as diffusion layers in energy storage systems, such as redox flow batteries. In spite of this, the dispersion dynamics of species inside porous media is still not well understood and often lends itself to different interpretations. Actually, the microscopic design of efficient porous media, which can potentially and effectively improve the performances of flow batteries, is still an open challenge. The present study aims to investigate the effect of fibrous media micro-structure on dispersion, in particular the effect of fiber orientation on drag and dispersion dynamics. Several lattice-Boltzmann simulations of flows through differently oriented fibrous media coupled with Lagrangian simulations of particle tracers have been performed. Results show that orienting fibers preferentially along the streamwise direction minimizes the drag and maximizes the dispersion, which is the most desirable condition for diffusion layers in flow batteries' applications.

Variable Refractive Index Effects on Radiation in Semitransparent Scattering Multilayered Regions

NASA Technical Reports Server (NTRS)

Siegel, R.; Spuckler, C. M.

1993-01-01

A simple set of equations is derived for predicting the temperature distribution and radiative energy flow in a semitransparent layer consisting of an arbitrary number of laminated sublayers that absorb, emit, and scatter radiation. Each sublayer can have a different refractive index and optical thickness. The plane composite region is heated on each exterior side by a different amount of incident radiation. The results are for the limiting case where heat conduction within the layers is very small relative to radiative transfer, and is neglected. The interfaces are assumed diffuse, and all interface reflections are included in the analysis. The thermal behavior is readily calculated from the analytical expressions that are obtained. By using many sublayers, the analytical expressions provide the temperature distribution and heat flow for a diffusing medium with a continuously varying refractive index, including internal reflection effects caused by refractive index gradients. Temperature and heat flux results are given to show the effect of variations in refractive index and optical thickness through the multilayer laminate.

Tunneling Injection and Exciton Diffusion of White Organic Light-Emitting Diodes with Composed Buffer Layers

NASA Astrophysics Data System (ADS)

Yang, Su-Hua; Wu, Jian-Ping; Huang, Tao-Liang; Chung, Bin-Fong

2018-02-01

Four configurations of buffer layers were inserted into the structure of a white organic light emitting diode, and their impacts on the hole tunneling-injection and exciton diffusion processes were investigated. The insertion of a single buffer layer of 4,4'-bis(carbazol-9-yl)biphenyl (CBP) resulted in a balanced carrier concentration and excellent color stability with insignificant chromaticity coordinate variations of Δ x < 0.023 and Δ y < 0.023. A device with a 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline (BCP) buffer layer was beneficial for hole tunneling to the emission layer, resulting in a 1.45-fold increase in current density. The tunneling of holes and the diffusion of excitons were confirmed by the preparation of a dual buffer layer of CBP:tris-(phenylpyridine)-iridine (Ir(ppy)3)/BCP. A maximum current efficiency of 12.61 cd/A with a luminance of 13,850 cd/m2 was obtained at 8 V when a device with a dual-buffer layer of CBP:6 wt.% Ir(ppy)3/BCP was prepared.

Reaction products and oxide thickness formed by Ti out-diffusion and oxidization in poly-Pt/Ti/SiO 2/Si with oxide films deposited

NASA Astrophysics Data System (ADS)

Chen, Changhong; Huang, Dexiu; Zhu, Weiguang; Feng, Yi; Wu, Xigang

2006-08-01

In the paper, we present experimental results to enhance the understanding of Ti out-diffusion and oxidization in commercial poly-Pt/Ti/SiO 2/Si wafers with perovskite oxide films deposited when heat-treated in flowing oxygen ambient. It indicates that when heat-treated at 550 and 600 °C, PtTi 3+PtTi and PtTi are the reaction products from interfacial interaction, respectively; while heat-treated at 650 °C and above, the products become three layers of titanium oxides instead of the alloys. Confirmed to be rutile TiO 2, the first two layers spaced by 65 nm encapsulate the Pt surface by the first layer with 60 nm thick forming at its surface and by the next layer with 35 nm thick inserting its original layer. In addition, the next layer is formed as a barrier to block up continuous diffusion paths of Ti, and thus results in the last layer of TiO 2- x formed by the residual Ti oxidizing.

A reduced astrocyte response to β-amyloid plaques in the ageing brain associates with cognitive impairment.

PubMed

Mathur, Ryan; Ince, Paul G; Minett, Thais; Garwood, Claire J; Shaw, Pamela J; Matthews, Fiona E; Brayne, Carol; Simpson, Julie E; Wharton, Stephen B

2015-01-01

β-amyloid (Aβ) plaques are a key feature of Alzheimer's disease pathology but correlate poorly with dementia. They are associated with astrocytes which may modulate the effect of Aβ-deposition on the neuropil. This study characterised the astrocyte response to Aβ plaque subtypes, and investigated their association with cognitive impairment. Aβ plaque subtypes were identified in the cingulate gyrus using dual labelling immunohistochemistry to Aβ and GFAP+ astrocytes, and quantitated in two cortical areas: the area of densest plaque burden and the deep cortex near the white matter border (layer VI). Three subtypes were defined for both diffuse and compact plaques (also known as classical or core-plaques): Aβ plaque with (1) no associated astrocytes, (2) focal astrogliosis or (3) circumferential astrogliosis. In the area of densest burden, diffuse plaques with no astrogliosis (β = -0.05, p = 0.001) and with focal astrogliosis (β = -0.27, p = 0.009) significantly associated with lower MMSE scores when controlling for sex and age at death. In the deep cortex (layer VI), both diffuse and compact plaques without astrogliosis associated with lower MMSE scores (β = -0.15, p = 0.017 and β = -0.81, p = 0.03, respectively). Diffuse plaques with no astrogliosis in layer VI related to dementia status (OR = 1.05, p = 0.025). In the area of densest burden, diffuse plaques with no astrogliosis or with focal astrogliosis associated with increasing Braak stage (β = 0.01, p<0.001 and β = 0.07, p<0.001, respectively), and ApoEε4 genotype (OR = 1.02, p = 0.001 and OR = 1.10, p = 0.016, respectively). In layer VI all plaque subtypes associated with Braak stage, and compact amyloid plaques with little and no associated astrogliosis associated with ApoEε4 genotype (OR = 1.50, p = 0.014 and OR = 0.10, p = 0.003, respectively). Reactive astrocytes in close proximity to either diffuse or compact plaques may have a neuroprotective role in the ageing brain, and possession of at least one copy of the ApoEε4 allele impacts the astroglial response to Aβ plaques.

Diffuser for augmenting a wind turbine

DOEpatents

Foreman, Kenneth M.; Gilbert, Barry L.

1984-01-01

A diffuser for augmenting a wind turbine having means for energizing the boundary layer at several locations along the diffuser walls is improved by the addition of a short collar extending radially outward from the outlet of the diffuser.

Diffuse sorption modeling.

PubMed

Pivovarov, Sergey

2009-04-01

This work presents a simple solution for the diffuse double layer model, applicable to calculation of surface speciation as well as to simulation of ionic adsorption within the diffuse layer of solution in arbitrary salt media. Based on Poisson-Boltzmann equation, the Gaines-Thomas selectivity coefficient for uni-bivalent exchange on clay, K(GT)(Me(2+)/M(+))=(Q(Me)(0.5)/Q(M)){M(+)}/{Me(2+)}(0.5), (Q is the equivalent fraction of cation in the exchange capacity, and {M(+)} and {Me(2+)} are the ionic activities in solution) may be calculated as [surface charge, mueq/m(2)]/0.61. The obtained solution of the Poisson-Boltzmann equation was applied to calculation of ionic exchange on clays and to simulation of the surface charge of ferrihydrite in 0.01-6 M NaCl solutions. In addition, a new model of acid-base properties was developed. This model is based on assumption that the net proton charge is not located on the mathematical surface plane but diffusely distributed within the subsurface layer of the lattice. It is shown that the obtained solution of the Poisson-Boltzmann equation makes such calculations possible, and that this approach is more efficient than the original diffuse double layer model.

Effect of the Parameters of Gas-Powder Laser Surfacing on the Structural Characteristics of Reconditioned Surface Layer of Corrosion-Resistant Steels

NASA Astrophysics Data System (ADS)

Krylova, S. E.; Oplesnin, S. P.; Manakov, N. A.; Yasakov, A. S.; Strizhov, A. O.

2018-01-01

Results of the developed commercial process for reconditioning the surface of corrosion-resistant steels by the method of laser surfacing are presented. A comparative analysis of the microstructures of the deposited wear-resistant layer, of the zone of fusion with the matrix material and of the diffusion zone after different variants of surfacing is performed. The hardness of the deposited layer is measured and a nondestructive inspection of the latter for the presence of flaws is performed.

Plasma diffusion at the magnetopause? The case of lower hybrid drift waves

NASA Technical Reports Server (NTRS)

Treumann, R. A.; Labelle, J.; Pottelette, R.; Gary, S. P.

1990-01-01

The diffusion expected from the quasilinear theory of the lower hybrid drift instability at the Earth's magnetopause is recalculated. The resulting diffusion coefficient is in principle just marginally large enough to explain the thickness of the boundary layer under quiet conditions, based on observational upper limits for the wave intensities. Thus, one possible model for the boundary layer could involve equilibrium between the diffusion arising from lower hybrid waves and various low processes. However, some recent data and simulations seems to indicate that the magnetopause is not consistent with such a soft diffusive equilibrium model. Furthermore, investigation of the nonlinear equations for the lower hybrid waves for magnetopause parameters indicates that the quasilinear state may never arise because coalescence to large wavelengths, followed by collapse once a critical wavelengths is reached, occur on a time scale faster than the quasilinear diffusion. In this case, an inhomogeneous boundary layer is to be expected. More simulations are required over longer time periods to explore whether this nonlinear evolution really takes place at the magnetopause.

Extending the Diffuse Layer Model of Surface Acidity Behavior: III. Estimating Bound Site Activity Coefficients

EPA Science Inventory

Although detailed thermodynamic analyses of the 2-pK diffuse layer surface complexation model generally specify bound site activity coefficients for the purpose of accounting for those non-ideal excess free energies contributing to bound site electrochemical potentials, in applic...

Obtaining the porewater composition of a clay rock by modeling the in- and out-diffusion of anions and cations from an in-situ experiment.

PubMed

Appelo, C A J; Vinsot, A; Mettler, S; Wechner, S

2008-10-23

A borehole in the Callovo-Oxfordian clay rock in ANDRA's underground research facility was sampled during 1 year and chemically analyzed. Diffusion between porewater and the borehole solution resulted in concentration changes which were modeled with PHREEQC's multicomponent diffusion module. In the model, the clay rock's pore space is divided in free porewater (electrically neutral) and diffuse double layer water (devoid of anions). Diffusion is calculated separately for the two domains, and individually for all the solute species while a zero-charge flux is maintained. We explain how the finite difference formulas for radial diffusion can be translated into mixing factors for solutions. Operator splitting is used to calculate advective flow and chemical reactions such as ion exchange and calcite dissolution and precipitation. The ion exchange reaction is formulated in the form of surface complexation, which allows distributing charge over the fixed sites and the diffuse double layer. The charge distribution affects pH when calcite dissolves, and modeling of the experimental data shows that about 7% of the cation exchange capacity resides in the diffuse double layer. The model calculates the observed concentration changes very well and provides an estimate of the pristine porewater composition in the clay rock.

A novel photodynamic therapy-based drug delivery system layered on a stent for treating cholangiocarcinoma.

PubMed

Liang, Po-Chin; Huang, Kai-Wen; Tung, Chien-Chih; Chang, Ming-Chu; Chang, Fuh-Yu; Wong, Jau-Min; Chang, Yu-Ting

2017-11-22

This study aimed to investigate the drug delivery efficacy and bio-effectiveness of a novel photodynamic therapy (PDT)-matrix drug delivery system for cholangiocarcinoma (CCA). Metallic stents were coated with polyurethane (PU) as the first layer. A 2-hydroxyethyl methacrylate (2-HEMA)/ethylene glycol dimethacrylate (EGDMA)/benzoyl peroxide (BPO) layer and a poly(ethylene-co-vinyl acetate) (PEVA)/poly(n-butyl methacrylate) (PBMA)/polyvinylpyrrolidone K30 (K30) layer containing various concentrations of Photofrin were then incorporated onto the stent as the second and third layers. After incubating the layered membranes with cultured CCA cell line, the release of Photofrin, cell viability, the intracellular uptake of Photofrin, reactive oxygen species (ROS) generation, and apoptosis were determined. Using a single-layer diffusion model, the maximum release of Photofrin from the 5 to 10% K30 formulas was 80 and 100%, respectively, after 24 h. When using the multiple-layer diffusion model, the released Photofrin showed an initial burst of the loading dose from the PEVA/PBMA/K30 layer. In the immobilized model, less than 5% of the Photofrin from the 2-HEMA/EGDMA/BPO layer was released over the 24-h period. Cell viability decreased linearly with increasing Photofrin concentrations, and ROS generation and apoptosis were shown to increase significantly with increasing Photofrin concentrations, until the concentration of Photofrin reached a saturation point of 1.5 μg/ml. This new, multiple-layered, PDT-based stent with dual-release mechanisms is a promising treatment for CCA and cancer-related ductal stenosis.

The altitude distribution of the Venus ultraviolet nightglow and implications on vertical transport

NASA Technical Reports Server (NTRS)

Gerard, J. C.; Stewart, A. I. F.; Bougher, S. W.

1981-01-01

The altitude distribution of the nitric oxide nightglow was measured with an ultraviolet spectrometer on board Pioneer Venus, in order to study the effects of the distribution on the Venus nightside lower thermosphere transport properties. Limb profiles were obtained with an 8 ms integration period on several orbits near periapsis. The observations were made between P minus 2 min and P plus 4 min, where altitude ranges between 150 and 350 km, and latitude varies from 24 degrees N to 9 degrees S. A method independent of the spacecraft attitude data was used to fit the observed limb profiles, and to find the altitude of the maximum of the layer (115 plus or minus 2 km), and the topside scale height (about 3 km). It is shown that downward transport by diffusion alone is not sufficient, and if vertical motion is parameterized by eddy diffusion, an eddy diffusion coefficient is deduced from the altitude of the layer.

Insights into the role of wettability in cathode catalyst layer of proton exchange membrane fuel cell; pore scale immiscible flow and transport processes

NASA Astrophysics Data System (ADS)

Fathi, H.; Raoof, A.; Mansouri, S. H.

2017-05-01

The production of liquid water in cathode catalyst layer, CCL, is a significant barrier to increase the efficiency of proton exchange membrane fuel cell. Here we present, for the first time, a direct three-dimensional pore-scale modelling to look at the complex immiscible two-phase flow in CCL. After production of the liquid water at the surface of CCL agglomerates due to the electrochemical reactions, water spatial distribution affects transport of oxygen through the CCL as well as the rate of reaction at the agglomerate surfaces. To explore the wettability effects, we apply hydrophilic and hydrophobic properties using different surface contact angles. Effective diffusivity is calculated under several water saturation levels. Results indicate larger diffusive transport values for hydrophilic domain compared to the hydrophobic media where the liquid water preferentially floods the larger pores. However, hydrophobic domain showed more available surface area and higher oxygen consumption rate at the reaction sites under various saturation levels, which is explained by the effect of wettability on pore-scale distribution of water. Hydrophobic domain, with a contact angle of 150, reveals efficient water removal where only 28% of the pore space stays saturated. This condition contributes to the enhanced available reaction surface area and oxygen diffusivity.

Why Did the 2010 Eyjafjallajokull Volcanic Eruption Cloud Last So Long?

NASA Astrophysics Data System (ADS)

Jellinek, M.; Carazzo, G.

2013-12-01

The global economic consequences of the relatively small Eyjafjallajokull eruption in the spring of 2010 caught the world off guard. That the eruption cloud lasted for several months rather than weeks, efficiently disrupting air travel and the holiday plans of thousands of tourists, drew arguably more attention and a certainly garnered a highly emotional response. The longevity of this eruption cloud was touted to be "an anomaly". However, this anomaly nearly repeated itself the following year in the form of the 2011 Puyehue-Cordon Caulle eruption cloud. A major reason that the behavior of the 2010 Eyjafjallajokul cloud was surprising is that "standard" models for ash sedimentation (i.e., heavy particles fall out of the cloud faster than light particles) are incomplete. Observations of the 2010 Eyjafjallajokull, as well as the structure of atmospheric aerosol clouds from the 1991 Mt Pinatubo event, suggest that an additional key process in addition to particle settling is the production of internal layering. We use analog experiments on turbulent particle-laden umbrella clouds and simple models to show that this layering occurs where natural convection driven by particle sedimentation and the differential diffusion of primarily heat and fine particles give rise to a large scale instability leading to this layering. This 'particle diffusive convection' strongly influences cloud longevity where volcanic umbrella clouds are enriched in fine ash. More generally, volcanic cloud residence times will depend on ash fluxes related to both individual particle settling and diffusive convection. We discuss a new sedimentation model that includes both contributions to the particle flux and explains the the rate of change of particle concentration in the 1982 El Chichon, 1991 Mt Pinatubo and 1992 Mt Spurr ash-clouds. Examples of periodic layering in volcanic clouds compared with experiments in which periodic layering emerges as a result of buoyancy effects related to a particle-salt double diffusive instability.

Multiscale modeling of transdermal drug delivery

NASA Astrophysics Data System (ADS)

Rim, Jee Eun

2006-04-01

This study addresses the modeling of transdermal diffusion of drugs, to better understand the permeation of molecules through the skin, and especially the stratum corneum, which forms the main permeation barrier of the skin. In transdermal delivery of systemic drugs, the drugs diffuse from a patch placed on the skin through the epidermis to the underlying blood vessels. The epidermis is the outermost layer of the skin and can be further divided into the stratum corneum (SC) and the viable epidermis layers. The SC consists of keratinous cells (corneocytes) embedded in the lipid multi-bilayers of the intercellular space. It is widely accepted that the barrier properties of the skin mostly arises from the ordered structure of the lipid bilayers. The diffusion path, at least for lipophilic molecules, seems to be mainly through the lipid bilayers. Despite the advantages of transdermal drug delivery compared to other drug delivery routes such as oral dosing and injections, the low percutaneous permeability of most compounds is a major difficulty in the wide application of transdermal drug delivery. In fact, many transdermal drug formulations include one or more permeation enhancers that increase the permeation of the drug significantly. During the last two decades, many researchers have studied percutaneous absorption of drugs both experimentally and theoretically. However, many are based on pharmacokinetic compartmental models, in which steady or pseudo-steady state conditions are assumed, with constant diffusivity and partitioning for single component systems. This study presents a framework for studying the multi-component diffusion of drugs coupled with enhancers through the skin by considering the microstructure of the stratum corneum (SC). A multiscale framework of modeling the transdermal diffusion of molecules is presented, by first calculating the microscopic diffusion coefficient in the lipid bilayers of the SC using molecular dynamics (MD). Then a homogenization procedure is performed over a model unit cell of the heterogeneous SC, resulting in effective diffusion parameters. These effective parameters are the macroscopic diffusion coefficients for the homogeneous medium that is "equivalent" to the heterogeneous SC, and thus can be used in finite element simulations of the macroscopic diffusion process.

Large size self-assembled quantum rings: quantum size effect and modulation on the surface diffusion.

PubMed

Tong, Cunzhu; Yoon, Soon Fatt; Wang, Lijun

2012-09-24

We demonstrate experimentally the submicron size self-assembled (SA) GaAs quantum rings (QRs) by quantum size effect (QSE). An ultrathin In0.1 Ga0.9As layer with different thickness is deposited on the GaAs to modulate the surface nucleus diffusion barrier, and then the SA QRs are grown. It is found that the density of QRs is affected significantly by the thickness of inserted In0.1 Ga0.9As, and the diffusion barrier modulation reflects mainly on the first five monolayer . The physical mechanism behind is discussed. The further analysis shows that about 160 meV decrease in diffusion barrier can be achieved, which allows the SA QRs with density of as low as one QR per 6 μm2. Finally, the QRs with diameters of 438 nm and outer diameters of 736 nm are fabricated using QSE.

Bioturbation, advection, and diffusion of a conserved tracer in a laboratory flume

NASA Astrophysics Data System (ADS)

Work, P. A.; Moore, P. R.; Reible, D. D.

2002-06-01

Laboratory experiments indicating the relative influences of advection, diffusion, and bioturbation on transport of NaCl tracer between a stream and streambed are described. Data were collected in a recirculating flume housing a box filled with test sediments. Peclet numbers ranged from 0 to 1.5. Sediment components included a medium sand (d50 = 0.31 mm), kaolinite, and topsoil. Lumbriculus variegatus were introduced as bioturbators. Conductivity probes were employed to document the flux of the tracer solution out of the bed. Measurements are compared to one-dimensional effective diffusion models assuming one or two horizontal sediment layers. These simple models provide a good indication of tracer half-life in the bed if a suitable effective diffusion coefficient is chosen but underpredict initial flux and overpredict flux at long times. Organism activity was limited to the upper reaches of the sediment test box but eventually exerts a secondary influence on flux from deeper regions.

Reactive diffusion in the presence of a diffusion barrier: Experiment and model

NASA Astrophysics Data System (ADS)

Mangelinck, D.; Luo, T.; Girardeaux, C.

2018-05-01

Reactions in thin films and diffusion barriers are important for applications such as protective coatings, electrical contact, and interconnections. In this work, the effect of a barrier on the kinetics of the formation for a single phase by reactive diffusion is investigated from both experimental and modeling point of views. Two types of diffusion barriers are studied: (i) a thin layer of W deposited between a Ni film and Si substrate and (ii) Ni alloy films, Ni(1%W) and Ni(5%Pt), that form a diffusion barrier during the reaction with the Si substrate. The effect of the barriers on the kinetics of δ-Ni2Si formation is determined by in situ X ray diffraction and compared to models that explain the kinetic slowdown induced by both types of barrier. A linear parabolic growth is found for the deposited barrier with an increasing linear contribution for increasing barrier thickness. On the contrary, the growth is mainly parabolic for the barrier formed by the reaction between an alloy film and the substrate. The permeability of the two types of barrier is determined and discussed. The developed models fit well with the dedicated model experiments, leading to a better understanding of the barrier effect on the reactive diffusion and allowing us to predict the barrier behaviour in various applications.

Studies on Molecular and Ion Transport in Silicalite Membranes and Applications as Ion Separator for Redox Flow Battery

NASA Astrophysics Data System (ADS)

Yang, Ruidong

Microporous zeolite membranes have been widely studied for molecular separations based on size exclusion or preferential adsorption-diffusion mechanisms. The MFI-type zeolite membranes were also demonstrated for brine water desalination by molecular sieving effect. In this research, the pure silica MFI-type zeolite (i.e. silicalite) membrane has been for the first time demonstrated for selective permeation of hydrated proton (i.e. H3O+) in acidic electrolyte solutions. The silicalite membrane allows for permeation of H 3O+ ions, but is inaccessible to the large hydrated multivalent vanadium ions due to steric effect. The silicalite membrane has been further demonstrated as an effective ion separator in the all-vanadium redox flow battery (RFB).The silicalite is nonionic and its proton conductivity relies on the electric field-driven H3O+ transport through the sub nanometer-sized pores under the RFB operation conditions. The silicalite membrane displayed a significantly reduced self-discharge rate because of its high proton-to-vanadium ion transport selectivity. However, the nonionic nature of the silicalite membrane and very small diffusion channel size render low proton conductivity and is therefore inefficient as ion exchange membranes (IEMs) for practical applications. The proton transport efficiency may be improved by reducing the membrane thickness. However, the zeolite thin films are extremely fragile and must be supported on mechanically strong and rigid porous substrates. In this work, silicalite-Nafion composite membranes were synthesized to achieve a colloidal silicalite skin on the Nafion thin film base. The "colloidal zeolite-ionic polymer" layered composite membrane combines the advantages of high proton-selectivity of the zeolite layer and the mechanical flexibility and low proton transport resistance of the ionic polymer membrane. The composite membrane exhibited higher proton/vanadium ion separation selectivity and lower electrical resistance than the commercial Nafion 117 membrane. The high proton transport selectivity is a result of the molecular sieving effect between the H3O+ and multivalent vanadium ions by the zeolitic pores; thus the zeolite particles significantly reduced the effective membrane surface area for vanadium ion permeation. The low resistance of the composite membrane can be attributed to the reduced thickness of the Nafion base film and the thinness of the colloidal silicalite top layer. The composite membrane outperformed the Nafion 117 membrane in the vanadium RFB operation in terms of the overall charge-discharge energy efficiency. Efforts have been made in further investigation of ion and molecular transport diffusivity in the polycrystalline silicalite film using zeolite-coated optical fiber interferometers. A physical model has been established for analyzing the molecular diffusivity in the zeolite layer based on the temporal responses of the optical interferometric signals during the transient process of molecular sorption. Experiments were first carried out to study the diffusivity of isobutane to evaluate the effectiveness of the proposed optical method. The isobutane diffusivities in silicalite measured by this method were in good agreement with the values reported in literature. The zeolite coated fiber optic interferometer was however ineffective in monitoring ion sorption or ion exchange in the silicalite films. It is suggested that more sensitive fiber optic devices are needed for studying the ion diffusion.

Reaction rates of oxygen with hemoglobin measured by non-equilibrium facilitated oxygen diffusion through hemoglobin solutions.

PubMed

Bouwer, S T; Hoofd, L; Kreuzer, F

2001-02-16

The purpose of this study was to verify the concept of non-equilibrium facilitated oxygen diffusion. This work succeeds our previous study, where facilitated oxygen diffusion by hemoglobin was measured at conditions of chemical equilibrium, and which yielded diffusion coefficients of hemoglobin and of oxygen. In the present work chemical non-equilibrium was induced using very thin diffusion layers. As a result, facilitation was decreased as predicted by theory. Thus, this work presents the first experimental demonstration of non-equilibrium facilitated oxygen diffusion. In addition, association and dissociation rate parameters of the reaction between oxygen and bovine and human hemoglobin were calculated and the effect of the homotropic and heterotropic interactions on each rate parameter was demonstrated. The results indicate that the homotropic interaction--which leads to increasing oxygen affinity with increasing oxygenation--is predominantly due to an increase in the association rate. The heterotropic interaction--which leads to decreasing oxygen affinity by anionic ligands--appears to be effected in two ways. Cl- increases the dissociation rate. In contrast, 2,3-diphosphoglycerate decreases the association rate.

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.

Combining diffusion magnetic resonance tractography with stereology highlights increased cross-cortical integration in primates.

PubMed

Charvet, Christine J; Hof, Patrick R; Raghanti, Mary Ann; Van Der Kouwe, Andre J; Sherwood, Chet C; Takahashi, Emi

2017-04-01

The isocortex of primates is disproportionately expanded relative to many other mammals, yet little is known about what the expansion of the isocortex entails for differences in cellular composition and connectivity patterns in primates. Across the depth of the isocortex, neurons exhibit stereotypical patterns of projections. Upper-layer neurons (i.e., layers II-IV) project within and across cortical areas, whereas many lower-layer pyramidal neurons (i.e., layers V-VI) favor connections to subcortical regions. To identify evolutionary changes in connectivity patterns, we quantified upper (i.e., layers II-IV)- and lower (i.e., layers V-VI)-layer neuron numbers in primates and other mammals such as rodents and carnivores. We also used MR tractography based on high-angular resolution diffusion imaging and diffusion spectrum imaging to compare anterior-to-posterior corticocortical tracts between primates and other mammals. We found that primates possess disproportionately more upper-layer neurons as well as an expansion of anterior-to-posterior corticocortical tracts compared with other mammals. Taken together, these findings demonstrate that primates deviate from other mammals in exhibiting increased cross-cortical connectivity. J. Comp. Neurol. 525:1075-1093, 2017. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

The Turbulent Flow in Diffusers of Small Divergence Angle

NASA Technical Reports Server (NTRS)

Gourzhienko, G. A.

1947-01-01

The turbulent flow in a conical diffuser represents the type of turbulent boundary layer with positive longitudinal pressure gradient. In contrast to the boundary layer problem, however, it is not necessary that the pressure distribution along the limits of the boundary layer(along the axis of the diffuser) be given, since this distribution can be obtained from the computation. This circumstance, together with the greater simplicity of the problem as a whole, provides a useful basis for the study of the extension of the results of semiempirical theories to the case of motion with a positive pressure gradient. In the first part of the paper,formulas are derived for the computation of the velocity and.pressure distributions in the turbulent flow along, and at right angles to, the axis of a diffuser of small cone angle. The problem is solved.

Improved diffuser for augmenting a wind turbine

DOEpatents

Foreman, K.M.; Gilbert, B.L.

A diffuser for augmenting a wind turbine having means for energizing the boundary layer at several locations along the diffuser walls is improved by the addition of a short collar extending radially outward from the outlet of the diffuser.

Effects of epitaxial structure and processing on electrical characteristics of InAs-based nBn infrared detectors

NASA Astrophysics Data System (ADS)

Du, X.; Savich, G. R.; Marozas, B. T.; Wicks, G. W.

2017-02-01

The conventional processing of the III-V nBn photodetectors defines mesa devices by etching the contact n-layer and stopping immediately above the barrier, i.e., a shallow etch. This processing enables great suppression of surface leakage currents without having to explore surface passivation techniques. However, devices that are made with this processing scheme are subject to lateral diffusion currents. To address the lateral diffusion current, we compare the effects of different processing approaches and epitaxial structures of nBn detectors. The conventional solution for eliminating lateral diffusion current, a deep etch through the barrier and the absorber, creates increased dark currents and an increased device failure rate. To avoid deep etch processing, a new device structure is proposed, the inverted-nBn structure. By comparing with the conventional nBn structure, the results show that the lateral diffusion current is effectively eliminated in the inverted-nBn structure without elevating the dark currents.

Modeling short-term concentration fluctuations of semi-volatile pollutants in the soil-plant-atmosphere system.

PubMed

Bao, Zhongwen; Haberer, Christina M; Maier, Uli; Beckingham, Barbara; Amos, Richard T; Grathwohl, Peter

2016-11-01

Temperature changes can drive cycling of semi-volatile pollutants between different environmental compartments (e.g. atmosphere, soil, plants). To evaluate the impact of daily temperature changes on atmospheric concentration fluctuations we employed a physically based model coupling soil, plants and the atmosphere, which accounts for heat transport, effective gas diffusion, sorption and biodegradation in the soil as well as eddy diffusion and photochemical oxidation in the atmospheric boundary layer of varying heights. The model results suggest that temperature-driven re-volatilization and uptake in soils cannot fully explain significant diurnal concentration fluctuations of atmospheric pollutants as for example observed for polychlorinated biphenyls (PCBs). This holds even for relatively low water contents (high gas diffusivity) and high sorption capacity of the topsoil (high organic carbon content and high pollutant concentration in the topsoil). Observed concentration fluctuations, however, can be easily matched if a rapidly-exchanging environmental compartment, such as a plant layer, is introduced. At elevated temperatures, plants release organic pollutants, which are rapidly distributed in the atmosphere by eddy diffusion. For photosensitive compounds, e.g. some polycyclic aromatic hydrocarbons (PAHs), decreasing atmospheric concentrations would be expected during daytime for the bare soil scenario. This decline is buffered by a plant layer, which acts as a ground-level reservoir. The modeling results emphasize the importance of a rapidly-exchanging compartment above ground to explain short-term atmospheric concentration fluctuations. Copyright © 2016 Elsevier B.V. All rights reserved.

Anisotropic diffusion of oxygen on a few layers of black phosphorous

NASA Astrophysics Data System (ADS)

Fernández-Escamilla, Hector Noe; González-Chávez, Víctor Hugo; Martínez-Guerra, Eduardo; Garay-Tapia, Andrés; Martínez-Guerra, Edgar

Recently, phosporene has also been scored well as a functional material for two-dimensional electronic and optoelectronic devices. That is, because in contrast to graphene, black phosphorous has an inherent, direct and appreciable band gap that can be modulated with the numbers of layes. However, the presence of exposed lone pairs at the surface makes phosphorous very reactive to air and humidity and consequently, degradation of its properties. No such fundamental explanation have been made, thus corresponding first principle predictions to evaluate diffusion of O over and along a mono- and a few layers are indispensable. Energy barriers and the mechanisms of oxygen diffusion on mono- and a few layer of black phosphorous were calculated using the NEB(Nudge Elastic band) method as implemented in Quantum Espresso. The electronic states are expanded in plane waves with kinetic-energy cutoffs of 25 and 200 Ry for the wave function and charge density, respectively. Also, as the H2O and O2 are polar molecules, spin-polarized calculations have been carried out. We evaluated the diffusion barriers for O2 and H2O on phosphorene along zigzag, armchair and intermediated directions. Our calculations show that diffusion of O is preferred on zigzag directions and dissociation of O2 is favored as a result of energy gains of about 2 eV. Also, apparently diffusion pathways are blocked along layers.

Effect of quantum tunneling on spin Hall magnetoresistance

NASA Astrophysics Data System (ADS)

Ok, Seulgi; Chen, Wei; Sigrist, Manfred; Manske, Dirk

2017-02-01

We present a formalism that simultaneously incorporates the effect of quantum tunneling and spin diffusion on the spin Hall magnetoresistance observed in normal metal/ferromagnetic insulator bilayers (such as Pt/Y3Fe5O12) and normal metal/ferromagnetic metal bilayers (such as Pt/Co), in which the angle of magnetization influences the magnetoresistance of the normal metal. In the normal metal side the spin diffusion is known to affect the landscape of the spin accumulation caused by spin Hall effect and subsequently the magnetoresistance, while on the ferromagnet side the quantum tunneling effect is detrimental to the interface spin current which also affects the spin accumulation. The influence of generic material properties such as spin diffusion length, layer thickness, interface coupling, and insulating gap can be quantified in a unified manner, and experiments that reveal the quantum feature of the magnetoresistance are suggested.

Studies on dispersive stabilization of porous media flows

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

Daripa, Prabir, E-mail: prabir.daripa@math.tamu.edu; Gin, Craig

Motivated by a need to improve the performance of chemical enhanced oil recovery (EOR) processes, we investigate dispersive effects on the linear stability of three-layer porous media flow models of EOR for two different types of interfaces: permeable and impermeable interfaces. Results presented are relevant for the design of smarter interfaces in the available parameter space of capillary number, Peclet number, longitudinal and transverse dispersion, and the viscous profile of the middle layer. The stabilization capacity of each of these two interfaces is explored numerically and conditions for complete dispersive stabilization are identified for each of these two types ofmore » interfaces. Key results obtained are (i) three-layer porous media flows with permeable interfaces can be almost completely stabilized by diffusion if the optimal viscous profile is chosen, (ii) flows with impermeable interfaces can also be almost completely stabilized for short time, but become more unstable at later times because diffusion flattens out the basic viscous profile, (iii) diffusion stabilizes short waves more than long waves which leads to a “turning point” Peclet number at which short and long waves have the same growth rate, and (iv) mechanical dispersion further stabilizes flows with permeable interfaces but in some cases has a destabilizing effect for flows with impermeable interfaces, which is a surprising result. These results are then used to give a comparison of the two types of interfaces. It is found that for most values of the flow parameters, permeable interfaces suppress flow instability more than impermeable interfaces.« less

The effects of micro-vortex generators on normal shock wave/boundary layer interactions

NASA Astrophysics Data System (ADS)

Herges, Thomas G.

Shock wave/boundary-layer interactions (SWBLIs) are complex flow phenomena that are important in the design and performance of internal supersonic and transonic flow fields such as engine inlets. This investigation was undertaken to study the effects of passive flow control devices on normal shock wave/boundary layer interactions in an effort to gain insight into the physics that govern these complex interactions. The work concentrates on analyzing the effects of vortex generators (VGs) as a flow control method by contributing a greater understanding of the flowfield generated by these devices and characterizing their effects on the SWBLI. The vortex generators are utilized with the goal of improving boundary layer health (i.e., reducing/increasing the boundary-layer incompressible shape factor/skin friction coefficient) through a SWBLI, increasing pressure recovery, and reducing flow distortion at the aerodynamic interface plane while adding minimal drag to the system. The investigation encompasses experiments in both small-scale and large-scale inlet testing, allowing multiple test beds for improving the characterization and understanding of vortex generators. Small-scale facility experiments implemented instantaneous schlieren photography, surface oil-flow visualization, pressure-sensitive paint, and particle image velocimetry to characterize the effects of an array of microramps on a normal shock wave/boundary-layer interaction. These diagnostics measured the time-averaged and instantaneous flow organization in the vicinity of the microramps and SWBLI. The results reveal that a microramp produces a complex vortex structure in its wake with two primary counter-rotating vortices surrounded by a train of Kelvin- Helmholtz (K-H) vortices. A streamwise velocity deficit is observed in the region of the primary vortices in addition to an induced upwash/downwash which persists through the normal shock with reduced strength. The microramp flow control also increased the spanwise-averaged skin-friction coefficient and reduced the spanwise-averaged incompressible shape factor, thereby improving the health of the boundary layer. The velocity in the near-wall region appears to be the best indicator of microramp effectiveness at controlling SWBLIs. Continued analysis of additional micro-vortex generator designs in the small-scale facility revealed reduced separation within a subsonic diffuser downstream of the normal shock wave/boundary layer interaction. The resulting attached flow within the diffuser from the micro-vortex generator control devices reduces shock wave position and pressure RMS fluctuations within the diffuser along with increased pressure recovery through the shock and at the entrance of the diffuser. The largest effect was observed by the micro-vortex generators that produce the strongest streamwise vortices. High-speed pressure measurements also indicated that the vortex generators shift the energy of the pressure fluctuations to higher frequencies. Implementation of micro-vortex generators into a large-scale, supersonic, axisymmetric, relaxed-compression inlet have been investigated with the use of a unique and novel flow-visualization measurement system designed and successfully used for the analysis of both upstream micro-VGs (MVGs) and downstream VGs utilizing surface oil-flow visualization and pressure-sensitive paint measurements. The inlet centerbody and downstream diffuser vortex-generator regions were imaged during wind-tunnel testing internally through the inlet cowl with the diagnostic system attached to the cowl. Surface-flow visualization revealed separated regions along the inlet centerbody for large mass-flow rates without vortex generators. Upstream vortex generators did reduce separation in the subsonic diffuser, and a unique perspective of the flowfield produced by the downstream vortex generators was obtained. In addition, pressure distributions on the inlet centerbody and vortex generators were measured with pressure-sensitive paint. At low mass-flow ratios the onset of buzz occurs in the large-scale low-boom inlet. Inlet buzz and how it is affected by vortex generators was characterized using shock tracking through high-speed schlieren imaging and pressure fluctuation measurements. The analysis revealed a dominant low frequency oscillation at 21.0 Hz for the single-stream inlet, corresponding with the duration of one buzz cycle. Pressure oscillations prior to the onset of buzz were not detected, leaving the location where the shock wave triggers large separation on the compression spike as the best indicator for the onset of buzz. The driving mechanism for a buzz cycle has been confirmed as the rate of depressurization and repressurization of the inlet as the buzz cycle fluctuates between an effectively unstarted (blocked) inlet and supercritical operation (choked flow), respectively. High-frequency shock position oscillations/pulsations (spike buzz) were also observed throughout portions of the inlet buzz cycle. The primary effect of the VGs was to trigger buzz at a higher mass-flow ratio.

Role of solvent in metal-on-metal surface diffusion: A case for rational solvent selection for materials synthesis

NASA Astrophysics Data System (ADS)

Imandi, Venkataramana; Jagannath, Mantha Sai Pavan; Chatterjee, Abhijit

2018-09-01

The effect of solvent on diffusion at metal surfaces is poorly understood despite its importance to morphological evolution during materials processing, corrosion and catalysis. In this article, we probe the metal-solvent interfacial structure, effective nature of interactions and dynamics when a solvent is in contact with a metal using a novel accelerated molecular dynamics simulation technique called temperature programmed molecular dynamics (TPMD). TPMD simulations reveal that surface diffusion of metal-on-metal can be made to vary over orders-of-magnitude by tuning the metal-solvent interaction. Ultimately, the solvent can have an indirect effect on diffusion. As the solvent tugs at the metal surface the separation between the adsorbed metal atom (adatom) and the surface layer can be modulated via metal-solvent interactions. The resulting adatom-surface separation can cause stronger/weaker binding of the adatom to the metal surface, which in turn results in the observed slower/enhanced diffusion in the presence of solvent. We believe this effect is ubiquitous in pure metal and metal alloys and in principle one could rationally select solvent to control the material structural evolution. Implications on materials synthesis are discussed in the context of formation of nanoporous materials.

Modeling Deuterium Release from Plasma Implanted Surfaces

NASA Astrophysics Data System (ADS)

Grossman, A. A.; Doerner, R.; Hirooka, Y.; Luckhardt, S. C.; Sze, F. C.

1997-11-01

When energetic ions or atoms of hydrogen isotopes interact with a solid surface, they may either be reflected or they may be implanted, a slowing down process within the subsurface layer of the energetic particles to thermal velocities. Subsequent interactions of the thermalized particles are those of diffusion and trapping within the material and the possibility of re-emission from the solid via desorption. The diffusion equation and its boundary conditions govern the transport of this thermalized hydrogen within the material. Diffusivities obey an Arrhenius law over as much as fourteen orders of magnitude for the temperature range of interest for a fusion reactor first wall and divertor plate. Using TMAP4, a variety of diffusion models are set up for comparison with experiments on PISCES which involve implantation and desorption of deuterium from beryllium, tungsten, carbon and boron carbide. The parameters and characteristics of the models which give the closest fit to the experimental data are reported. At the high fluences of these experiments, it is necessary to take into account saturation effects during implantation using a separate implantation layer with thickness given by TRIM and a higher trapping to lattice ratio than in the bulk in order to model the experimental data.

Wavy membranes and the growth rate of a planar chemical garden: Enhanced diffusion and bioenergetics.

PubMed

Ding, Yang; Batista, Bruno; Steinbock, Oliver; Cartwright, Julyan H E; Cardoso, Silvana S S

2016-08-16

To model ion transport across protocell membranes in Hadean hydrothermal vents, we consider both theoretically and experimentally the planar growth of a precipitate membrane formed at the interface between two parallel fluid streams in a 2D microfluidic reactor. The growth rate of the precipitate is found to be proportional to the square root of time, which is characteristic of diffusive transport. However, the dependence of the growth rate on the concentrations of hydroxide and metal ions is approximately linear and quadratic, respectively. We show that such a difference in ionic transport dynamics arises from the enhanced transport of metal ions across a thin gel layer present at the surface of the precipitate. The fluctuations in transverse velocity in this wavy porous gel layer allow an enhanced transport of the cation, so that the effective diffusivity is about one order of magnitude higher than that expected from molecular diffusion alone. Our theoretical predictions are in excellent agreement with our laboratory measurements of the growth of a manganese hydroxide membrane in a microfluidic channel, and this enhanced transport is thought to have been needed to account for the bioenergetics of the first single-celled organisms.

Investigation of microstructure and properties of ultrathin graded ZrNx self-assembled diffusion barrier in deep nano-vias prepared by plasma ion immersion implantation

NASA Astrophysics Data System (ADS)

Zou, Jianxiong; Liu, Bo; Lin, Liwei; Lu, Yuanfu; Dong, Yuming; Jiao, Guohua; Ma, Fei; Li, Qiran

2018-01-01

Ultrathin graded ZrNx self-assembled diffusion barriers with controllable stoichiometry was prepared in Cu/p-SiOC:H interfaces by plasma immersion ion implantation (PIII) with dynamic regulation of implantation fluence. The fundamental relationship between the implantation fluence of N+ and the stoichiometry and thereby the electrical properties of the ZrNx barrier was established. The optimized fluence of a graded ZrN thin film with gradually decreased Zr valence was obtained with the best electrical performance as well. The Cu/p-SiOC:H integration is thermally stable up to 500 °C due to the synergistic effect of Cu3Ge and ZrNx layers. Accordingly, the PIII process was verified in a 100-nm-thick Cu dual-damascene interconnect, in which the ZrNx diffusion barrier of 1 nm thick was successfully self-assembled on the sidewall without barrier layer on the via bottom. In this case, the via resistance was reduced by approximately 50% in comparison with Ta/TaN barrier. Considering the results in this study, ultrathin ZrNx conformal diffusion barrier can be adopted in the sub-14 nm technology node.

Remote fluorescence imaging of dynamic concentration profiles with micrometer resolution using a coherent optical fiber bundle.

PubMed

Amatore, Christian; Chovin, Arnaud; Garrigue, Patrick; Servant, Laurent; Sojic, Neso; Szunerits, Sabine; Thouin, Laurent

2004-12-15

Dynamic concentration profiles within the diffusion layer of an electrode were imaged in situ using fluorescence detection through a multichannel imaging fiber. In this work, a coherent optical fiber bundle is positioned orthogonal to the surface of an electrode and is used to report spatial and temporal micrometric changes in the fluorescence intensity of an initial fluorescent species. The fluorescence signal is directly related to the local concentration of a redox fluorescent reagent, which is electrochemically modulated by the electrode. Fluorescence images are collected through the optical fiber bundle during the oxidation of tris(2,2'-bipyridine)ruthenium(II) to ruthenium(III) at a diffusion-limited rate and allow the concentration profiles of Ru(II) reagent to be monitored in situ as a function of time. Tris(2,2'-bipyridine)ruthenium(II) is excited at 485 nm and emits fluorescence at 605 nm, whereas the Ru(III) oxidation state is not fluorescent. Our experiments emphasize the influence of two parameters on the micrometer spatial resolution: the numerical aperture of optical fibers within the bundle and the Ru(II) bulk concentration. The extent of the volume probed by each individual fiber of the bundle is discussed qualitatively in terms of a primary inner-filter effect and refractive index gradient. Experimentally measured fluorescence intensity profiles were found to be in very good agreement with concentration profiles predicted upon considering planar diffusion and thus validate the concept of this new application of imaging fibers. The originality of this remote approach is to provide a global view of the entire diffusion layer at a given time through one single image and to allow the time expansion of the diffusion layer to be followed quantitatively in real time.

Hydrodynamical instabilities induced by atomic diffusion in F and A stars : Impact on the opacity profile and asteroseimic age determination

NASA Astrophysics Data System (ADS)

Deal, M.; Richard, O.; Vauclair, S.

2017-12-01

Atomic diffusion, including the effect of radiative accelerations on individual elements, leads to important variations of the chemical composition inside the stars. The accumulation in specific layers of the elements, which are the main contributors of the local opacity, leads to hydrodynamical instabilities that modify the internal stellar structure and surface abundances. The modification of the initial chemical composition has important effects on the internal stellar mixing and leads to different surface and internal abundances of the elements. These processes also modify the age determination by asteroseismology.

Interpretation of scanning electron microscope measurements of minority carrier diffusion lengths in semiconductors

NASA Technical Reports Server (NTRS)

Flat, A.; Milnes, A. G.

1978-01-01

In scanning electron microscope (SEM) injection measurements of minority carrier diffusion lengths some uncertainties of interpretation exist when the response current is nonlinear with distance. This is significant in epitaxial layers where the layer thickness is not large in relation to the diffusion length, and where there are large surface recombination velocities on the incident and contact surfaces. An image method of analysis is presented for such specimens. A method of using the results to correct the observed response in a simple convenient way is presented. The technique is illustrated with reference to measurements in epitaxial layers of GaAs. Average beam penetration depth may also be estimated from the curve shape.

Silver photo-diffusion and photo-induced macroscopic surface deformation of Ge{sub 33}S{sub 67}/Ag/Si substrate

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

Sakaguchi, Y., E-mail: y-sakaguchi@cross.or.jp; Asaoka, H.; Uozumi, Y.

2016-08-07

Ge-chalcogenide films show various photo-induced changes, and silver photo-diffusion is one of them which attracts lots of interest. In this paper, we report how silver and Ge-chalcogenide layers in Ge{sub 33}S{sub 67}/Ag/Si substrate stacks change under light exposure in the depth by measuring time-resolved neutron reflectivity. It was found from the measurement that Ag ions diffuse all over the matrix Ge{sub 33}S{sub 67} layer once Ag dissolves into the layer. We also found that the surface was macroscopically deformed by the extended light exposure. Its structural origin was investigated by a scanning electron microscopy.

EFFECTS OF LEAF AREA PROFILES AND CANOPY STRATIFICATION ON SIMULATED ENERGY FLUXES: THE PROBLEM OF VERTICAL SPATIAL SCALE. (R827676)

EPA Science Inventory

We investigated the effects of the shape of leaf area profiles and the number of canopy layers on simulated sensible and latent heat fluxes using a gradient diffusion-based biometeorological model. Three research questions were addressed through simulation experiments: (1) Given ...

Trace element diffusion and kinetic fractionation in wet rhyolitic melt

NASA Astrophysics Data System (ADS)

Holycross, Megan E.; Watson, E. Bruce

2018-07-01

Piston-cylinder experiments were run to determine the chemical diffusivities of 21 trace elements (Sc, V, Y, Zr, Nb, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb, Lu, Hf, Th and U) in hydrous rhyolitic melts at 1 GPa pressure and temperatures from 850 to 1250 °C. Diffusion couple glasses were doped with trace elements in low concentrations to characterize the diffusivities of all cations in a single experiment. Laser ablation ICP-MS was used to evaluate the trace element concentration gradients that developed in the silicate glasses. All calculated diffusion coefficients correspond to the temperature dependence D = D0exp(-Ea/RT). Rhyolite liquids contained either ∼4.1 wt% or ∼6.2 wt% dissolved H2O; separate Arrhenius relationships are produced for each melt composition. Trace element diffusivities in the melt with 6.2 wt% H2O are roughly two times higher than those in the less hydrous melt. Calculated trace element diffusion coefficients cover nearly two orders of magnitude at a given temperature. The high field strength elements are the slowest diffusers, followed by the transition metals and heavy rare earth elements. The light rare earth elements have the fastest diffusion rates in hydrous rhyolitic melt. The measured diffusion coefficients range down to values sufficiently low to preclude diffusive homogenization over geochemically realistic time scales in some cases. The substantial differences in the diffusivities of individual cations may result in fractionated trace element signatures in rhyolite melt pockets. A simple model is used to explore the potential for kinetic fractionation of REE during growth of an apatite crystal in a diffusive boundary layer locally saturated in P2O5. The faster-diffusing light REE are more efficiently transported away from the crystal interface than the slower-moving heavy REE. Diffusion effects will enrich the melt boundary layer in slow-moving HREE relative to the faster LREE. The kinetic fractionation of REE in the melt growth medium will result in a precipitated apatite crystal with a disequilibrium trace element composition.

Modeling the Impact of Cracking in Low Permeability Layers in a Groundwater Contamination Source Zone on Dissolved Contaminant Fate and Transport

NASA Astrophysics Data System (ADS)

Sievers, K. W.; Goltz, M. N.; Huang, J.; Demond, A. H.

2011-12-01

Dense Non-Aqueous Phase Liquids (DNAPLs), which are chemicals and chemical mixtures that are heavier than and only slightly soluble in water, are a significant source of groundwater contamination. Even with the removal or destruction of most DNAPL mass, small amounts of remaining DNAPL can dissolve into flowing groundwater and continue as a contamination source for decades. One category of DNAPLs is the chlorinated aliphatic hydrocarbons (CAHs). CAHs, such as trichloroethylene and carbon tetrachloride, are found to contaminate groundwater at numerous DoD and industrial sites. DNAPLs move through soils and groundwater leaving behind residual separate phase contamination as well as pools sitting atop low permeability layers. Recently developed models are based on the assumption that dissolved CAHs diffuse slowly from pooled DNAPL into the low permeability layers. Subsequently, when the DNAPL pools and residual DNAPL are depleted, perhaps as a result of a remediation effort, the dissolved CAHs in these low permeability layers still remain to serve as long-term sources of contamination, due to so-called "back diffusion." These recently developed models assume that transport in the low permeability zones is strictly diffusive; however field observations suggest that more DNAPL and/or dissolved CAH is stored in the low permeability zones than can be explained on the basis of diffusion alone. One explanation for these field observations is that there is enhanced transport of dissolved CAHs and/or DNAPL into the low permeability layers due to cracking. Cracks may allow for advective flow of water contaminated with dissolved CAHs into the layer as well as possible movement of pure phase DNAPL into the layer. In this study, a multiphase numerical flow and transport model is employed in a dual domain (high and low permeability layers) to investigate the impact of cracking on DNAPL and CAH movement. Using literature values, the crack geometry and spacing was varied to model and compare four scenarios: (1) CAH diffusion only into cracks, (2) CAH advection-dispersion into cracks, (3) separate phase DNAPL movement into the cracks, and (4) CAH diffusion into an uncracked low permeability clay layer. For each scenario, model simulations are used to show the evolution and persistence of groundwater contamination downgradient of the DNAPL source.

Gas diffusion in and out of super-hydrophobic surface in transitional and turbulent boundary layers

NASA Astrophysics Data System (ADS)

Ling, Hangjian; Fu, Matthew; Hultmark, Marcus; Katz, Joseph

2017-11-01

The rate of gas diffusion in and out of a super-hydrophobic surface (SHS) located in boundary layers is investigated at varying Reynolds numbers and ambient pressures. The hierarchical SHS consists of nano-textured, 100 μm wide spanwise grooves. The boundary layers over the SHS under the Cassie-Baxter and Wenzel states as well as a smooth wall at same conditions are characterized by particle image velocimetry. The Reynolds number based on momentum thickness of the smooth wall, ReΘ0, ranges from 518 to 2088, covering transitional and turbulent boundary layer regimes. The mass diffusion rate is estimated by using microscopy to measure the time-evolution of plastron shape and volume. The data is used for calculating the Sherwood number based on smooth wall momentum thickness, ShΘ0. As expected, the diffusion rate increases linearly with the under- or super-saturation level, i.e., ShΘ0 is independent of ambient pressure. For the turbulent boundary layers, the data collapses onto ShΘ0 = 0.47ReΘ00.77 . For the transitional boundary layer, ShΘ0 is lower than the turbulent power law. When ShΘ0 is plotted against the friction Reynolds number (Reτ0) , both the transitional and turbulent boundary layer data collapse onto a single power law, ShΘ0 = 0.34Reτ00.913 . Results scaled based on Wenzel state momentum thickness show very similar trends. Sponsored by ONR.

Interface structure in nanoscale multilayers near continuous-to-discontinuous regime

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

Pradhan, P. C.; Majhi, A.; Nayak, M., E-mail: mnayak@rrcat.gov.in

2016-07-28

Interfacial atomic diffusion, reaction, and formation of microstructure in nanoscale level are investigated in W/B{sub 4}C multilayer (ML) system as functions of thickness in ultrathin limit. Hard x-ray reflectivity (XRR) and x-ray diffuse scattering in conjunction with x-ray absorption near edge spectroscopy (XANES) in soft x-ray and hard x-ray regimes and depth profiling x-ray photoelectron spectroscopy (XPS) have been used to precisely evaluate detailed interfacial structure by systematically varying the individual layer thickness from continuous-to-discontinuous regime. It is observed that the interfacial morphology undergoes an unexpected significant modification as the layer thickness varies from continuous-to-discontinuous regime. The interfacial atomic diffusionmore » increases, the physical density of W layer decreases and that of B{sub 4}C layer increases, and further more interestingly the in-plane correlation length decreases substantially as the layer thickness varies from continuous-to-discontinuous regime. This is corroborated using combined XRR and x-ray diffused scattering analysis. XANES and XPS results show formation of more and more tungsten compounds at the interfaces as the layer thickness decreases below the percolation threshold due to increase in the contact area between the elements. The formation of compound enhances to minimize certain degree of disorder at the interfaces in the discontinuous region that enables to maintain the periodic structure in ML. The degree of interfacial atomic diffusion, interlayer interaction, and microstructure is correlated as a function of layer thickness during early stage of film growth.« less

The effects of inlet temperature and turbulence characteristics on the flow development inside a gas turbine exhaust diffuser

NASA Astrophysics Data System (ADS)

Bomela, Christian Loangola

The overall industrial gas turbine efficiency is known to be influenced by the pressure recovery in the exhaust system. The design and, subsequently, the performance of an industrial gas turbine exhaust diffuser largely depend on its inflow conditions dictated by the turbine last stage exit flow state and the restraints of the diffuser internal geometry. Recent advances in Computational Fluid Dynamics (CFD) tools and the availability of computer hardware at an affordable cost made the virtual tool a very attractive one for the analysis of fluid flow through devices like a diffuser. In this backdrop, CFD analyses of a typical industrial gas turbine hybrid exhaust diffuser, consisting of an annular diffuser followed by a conical portion, have been carried out with the purpose of improving the performance of these thermal devices using an open-source CFD code "OpenFOAM". The first phase in the research involved the validation of the CFD approach using OpenFOAM by comparing CFD results against published benchmark experimental data. The numerical results closely captured the flow reversal and the separated boundary layer at the shroud wall where a steep velocity gradient has been observed. The standard k --epsilon turbulence model slightly over-predicted the mean velocity profile in the casing boundary layer while slightly under-predicted it in the reversed flow region. A reliable prediction of flow characteristics in this region is very important as the presence of the annular diffuser inclined wall has the most dominant effect on the downstream flow development. The core flow region and the presence of the hub wall have only a minor influence as reported by earlier experimental studies. Additional simulations were carried out in the second phase to test the veracity of other turbulence models; these include RNG k--epsilon, the SST k--o, and the Spalart-Allmaras turbulence models. It was found that a high resolution case with 47.5 million cells using the SST k--o turbulence model produced a mean flow velocity profile at the middle of the annular diffuser portion that had the best overall match with the experiment. The RNG k --epsilon, however, better predicted the diffuser performance along the exhaust diffuser length by means of the pressure recovery coefficient. These results were obtained using uniform inflow conditions and steady-state simulations. As such, the last phase of our investigations involved varying the inflow parameters like the turbulence intensity, the inlet flow temperature, and the flow angularity, which constitute important characteristics of the turbine blade wake, to investigate their impact on the diffuser design and performance. These isothermal CFD simulations revealed that by changing the flow temperature from 15 to 427°C, the pressure recovery coefficient significantly increased. However, it has been shown that the increase of temperature had no effects on the size of the reversed flow region and the thickness of the separated casing boundary layer, although the flow appears to be more turbulent. Furthermore, it has been established that an optimum turbulence intensity of about 4% produced comparable diffuser performance as the experiment. We also found that a velocity angle of about 2.5° at the last turbine stage will ensure a better exhaust diffuser performance.

Dynamics of comb-of-comb-network polymers in random layered flows

NASA Astrophysics Data System (ADS)

Katyal, Divya; Kant, Rama

2016-12-01

We analyze the dynamics of comb-of-comb-network polymers in the presence of external random flows. The dynamics of such structures is evaluated through relevant physical quantities, viz., average square displacement (ASD) and the velocity autocorrelation function (VACF). We focus on comparing the dynamics of the comb-of-comb network with the linear polymer. The present work displays an anomalous diffusive behavior of this flexible network in the random layered flows. The effect of the polymer topology on the dynamics is analyzed by varying the number of generations and branch lengths in these networks. In addition, we investigate the influence of external flow on the dynamics by varying flow parameters, like the flow exponent α and flow strength Wα. Our analysis highlights two anomalous power-law regimes, viz., subdiffusive (intermediate-time polymer stretching and flow-induced diffusion) and superdiffusive (long-time flow-induced diffusion). The anomalous long-time dynamics is governed by the temporal exponent ν of ASD, viz., ν =2 -α /2 . Compared to a linear polymer, the comb-of-comb network shows a shorter crossover time (from the subdiffusive to superdiffusive regime) but a reduced magnitude of ASD. Our theory displays an anomalous VACF in the random layered flows that scales as t-α /2. We show that the network with greater total mass moves faster.

Experimental studies and physically substantiated model of carbon dioxide emission from the exposed cultural layer of Velikii Novgorod

NASA Astrophysics Data System (ADS)

Smagin, A. V.; Dolgikh, A. V.; Karelin, D. V.

2016-04-01

The results of quantitative assessment and modeling of carbon dioxide emission from urban pedolithosediments (cultural layer) in the central part of Velikii Novgorod are discussed. At the first stages after the exposure of the cultural layer to the surface in archaeological excavations, very high CO2 emission values reaching 10-15 g C/(m2 h) have been determined. These values exceed the normal equilibrium emission from the soil surface by two orders of magnitude. However, they should not be interpreted as indications of the high biological activity of the buried urban sediments. A model based on physical processes shows that the measured emission values can be reliably explained by degassing of the soil water and desorption of gases from the urban sediments. This model suggests the diffusion mechanism of the transfer of carbon dioxide from the cultural layer into the atmosphere; in addition, it includes the equations to describe nonequilibrium interphase interactions (sorption-desorption and dissolution-degassing of CO2) with the first-order kinetics. With the use of statistically reliable data on physical parameters—the effective diffusion coefficient as dependent on the aeration porosity, the effective solubility, the Henry constant for the CO2 sorption, and the kinetic constants of the CO2 desorption and degassing of the soil solution—this model reproduces the experimental data on the dynamics of CO2 emission from the surface of the exposed cultural layer obtained by the static chamber method.

Two-step growth mechanism of supported Co3O4-based sea-urchin like hierarchical nanostructures

NASA Astrophysics Data System (ADS)

Maurizio, Chiara; Edla, Raju; Michieli, Niccolo'; Orlandi, Michele; Trapananti, Angela; Mattei, Giovanni; Miotello, Antonio

2018-05-01

Supported 3D hierarchical nanostructures of transition metal oxides exhibit enhanced photocatalytic performances and long-term stability under working conditions. The growth mechanisms crucially determine their intimate structure, that is a key element to optimize their properties. We report on the formation mechanism of supported Co3O4 hierarchical sea urchin-like nanostructured catalyst, starting from Co-O-B layers deposited by Pulsed Laser Deposition (PLD). The particles deposited on the layer surface, that constitute the seeds for the urchin formation, have been investigated after separation from the underneath deposited layer, by X-ray diffraction, X-ray absorption spectroscopy and scanning electron microscopy. The comparison with PLD deposited layers without O and/or B indicates a crucial role of B for the urchin formation that (i) limits Co oxidation during the deposition process and (ii) induces a chemical reduction of Co, especially in the particle core, in the first step of air annealing (2 h, 500 °C). After 2 h heating Co oxidation proceeds and Co atoms outdiffuse from the Co fcc particle core likely through fast diffusion channel present in the shell and form Co3O4 nano-needles. The growth of nano-needles from the layer beneath the particles is prevented by a faster Co oxidation and a minimum fraction of metallic Co. This investigation shows how diffusion mechanisms and chemical effects can be effectively coupled to obtain hierarchical structures of transition metal oxides.

Effect of nickel diffusion and oxygen behavior on heterojunction Schottky diodes of Au/NiO/ZnO with a NiO interlayer prepared by radio-frequency magnetron sputtering

NASA Astrophysics Data System (ADS)

Hwang, Jun-Dar; Chen, Hsin-Yu; Chen, Yu-Huang; Ho, Ting-Hsiu

2018-07-01

The rectifying characteristic of Au/ZnO Schottky diodes (SDs) was remarkably improved by introducing a NiO layer in-between the Au and ZnO layers. Compared with the Au/ZnO SDs, the introduction of the NiO layer significantly enhanced the rectification ratio from 1.38 to 1300, and reduced the ideality factor from 5.78 to 2.14. The NiO and ZnO layers were deposited on an indium-tin-oxide/glass substrate by radio-frequency magnetron sputtering. Secondary ion mass spectroscopy showed that Ni atoms diffused from NiO to ZnO, leading to a graded distribution of Ni in ZnO. X-ray diffraction demonstrated that the diffusion of Ni atoms increased the grain size and electron concentration of ZnO. X-ray photoelectron spectroscopy showed that the interstitial oxygen (Oi) atoms in NiO and ZnO compensated the oxygen vacancies (OV) at the NiO/ZnO interface; the amount of OV was significantly reduced, while Oi vanished at the interface. The band diagram revealed a potential drop in the bulk ZnO, owing to the graded distribution of Ni in ZnO, which accelerated the carriers, collected by the outer circuit. The carriers at the NiO/ZnO interface easily crossed over the barrier height, instead of being recombined by OV, owing to the lower amount of OV at the interface.

Modulation of Morphology and Optical Property of Multi-Metallic PdAuAg and PdAg Alloy Nanostructures.

PubMed

Pandey, Puran; Kunwar, Sundar; Sui, Mao; Bastola, Sushil; Lee, Jihoon

2018-05-16

In this work, the evolution of PdAg and PdAuAg alloy nanostructures is demonstrated on sapphire (0001) via the solid-state dewetting of multi-metallic thin films. Various surface configurations, size, and arrangements of bi- and tri-metallic alloy nanostructures are fabricated as a function of annealing temperature, annealing duration, film thickness, and deposition arrangements such as bi-layers (Pd/Ag), tri-layers (Pd/Au/Ag), and multi-layers (Pd/Au/Ag × 5). Specifically, the tri-layers film shows the gradual evolution of over-grown NPs, voids, wiggly nanostructures, and isolated PdAuAg alloy nanoparticles (NPs) along with the increased annealing temperature. In contrast, the multi-layers film with same thickness show the enhanced dewetting rate, which results in the formation of voids at relatively lower temperature, wider spacing, and structural regularity of alloy NPs at higher temperature. The dewetting enhancement is attributed to the increased number of interfaces and reduced individual layer thickness, which aid the inter-diffusion process at the initial stage. In addition, the time evolution of the Pd 150 nm /Ag 80 nm bi-layer films at constant temperature show the wiggly-connected and isolated PdAg alloy NPs. The overall evolution of alloy NPs is discussed based on the solid-state dewetting mechanism in conjunction with the diffusion, inter-diffusion, alloying, sublimation, Rayleigh instability, and surface energy minimization. Depending upon their surface morphologies, the bi- and tri-metallic alloy nanostructures exhibit the dynamic reflectance spectra, which show the formation of dipolar (above 700 nm) and quadrupolar resonance peaks (~ 380 nm) and wide dips in the visible region as correlated to the localized surface plasmon resonance (LSPR) effect. An absorption dip is readily shifted from ~ 510 to ~ 475 nm along with the decreased average size of alloy nanostructures.

Modulation of Morphology and Optical Property of Multi-Metallic PdAuAg and PdAg Alloy Nanostructures

NASA Astrophysics Data System (ADS)

Pandey, Puran; Kunwar, Sundar; Sui, Mao; Bastola, Sushil; Lee, Jihoon

2018-05-01

In this work, the evolution of PdAg and PdAuAg alloy nanostructures is demonstrated on sapphire (0001) via the solid-state dewetting of multi-metallic thin films. Various surface configurations, size, and arrangements of bi- and tri-metallic alloy nanostructures are fabricated as a function of annealing temperature, annealing duration, film thickness, and deposition arrangements such as bi-layers (Pd/Ag), tri-layers (Pd/Au/Ag), and multi-layers (Pd/Au/Ag × 5). Specifically, the tri-layers film shows the gradual evolution of over-grown NPs, voids, wiggly nanostructures, and isolated PdAuAg alloy nanoparticles (NPs) along with the increased annealing temperature. In contrast, the multi-layers film with same thickness show the enhanced dewetting rate, which results in the formation of voids at relatively lower temperature, wider spacing, and structural regularity of alloy NPs at higher temperature. The dewetting enhancement is attributed to the increased number of interfaces and reduced individual layer thickness, which aid the inter-diffusion process at the initial stage. In addition, the time evolution of the Pd150 nm/Ag80 nm bi-layer films at constant temperature show the wiggly-connected and isolated PdAg alloy NPs. The overall evolution of alloy NPs is discussed based on the solid-state dewetting mechanism in conjunction with the diffusion, inter-diffusion, alloying, sublimation, Rayleigh instability, and surface energy minimization. Depending upon their surface morphologies, the bi- and tri-metallic alloy nanostructures exhibit the dynamic reflectance spectra, which show the formation of dipolar (above 700 nm) and quadrupolar resonance peaks ( 380 nm) and wide dips in the visible region as correlated to the localized surface plasmon resonance (LSPR) effect. An absorption dip is readily shifted from 510 to 475 nm along with the decreased average size of alloy nanostructures.

Photo- and thermally induced property change in Ag diffusion into Ag/As2Se3 thin films

NASA Astrophysics Data System (ADS)

Aparimita, Adyasha; Sripan, C.; Ganesan, R.; Naik, Ramakanta

2018-03-01

In the present report, we have prepared As2Se3 and bilayer Ag/As2Se3 chalcogenide thin films prepared by thermal evaporation process. The top Ag layer is being diffused into the bottom As2Se3 layer by 532 nm laser irradiation and thermal annealing process. The photo and thermal energy drives the Ag+ ions into the As2Se3 matrix that enhances the formation of As-Se-Ag solid solution which shows the changes of optical properties such as transmission, absorption power, refractive index, and optical band gap. The transmission power drastically decreased for the thermal-induced film than the laser induced one; and the reverse effect is seen for the absorption coefficient. The non-linear refractive index is found to be increased due to the Ag diffusion into As2Se3 film. The indirect allowed optical band gap is being reduced by a significant amount of 0.17 eV (thermal diffusion) and 0.03 eV (photo diffusion) from the Ag/As2Se3 film. The Ag diffusion creates chemical disorderness in the film observed from the two parameters which measures the degree of disorder such as Urbach energy and Tauc parameter. The structural change is not noticed in the studied film as seen from the X-ray diffraction pattern. Scanning electron microscopy and atomic force microscopy investigations showed that the surface morphology was influenced by the diffusion phenomena. The change in optical constants in such type of film can be used in optical waveguides and optical devices.

Reaction-diffusion basis of retroviral infectivity

NASA Astrophysics Data System (ADS)

Sadiq, S. Kashif

2016-11-01

Retrovirus particle (virion) infectivity requires diffusion and clustering of multiple transmembrane envelope proteins (Env3) on the virion exterior, yet is triggered by protease-dependent degradation of a partially occluding, membrane-bound Gag polyprotein lattice on the virion interior. The physical mechanism underlying such coupling is unclear and only indirectly accessible via experiment. Modelling stands to provide insight but the required spatio-temporal range far exceeds current accessibility by all-atom or even coarse-grained molecular dynamics simulations. Nor do such approaches account for chemical reactions, while conversely, reaction kinetics approaches handle neither diffusion nor clustering. Here, a recently developed multiscale approach is considered that applies an ultra-coarse-graining scheme to treat entire proteins at near-single particle resolution, but which also couples chemical reactions with diffusion and interactions. A model is developed of Env3 molecules embedded in a truncated Gag lattice composed of membrane-bound matrix proteins linked to capsid subunits, with freely diffusing protease molecules. Simulations suggest that in the presence of Gag but in the absence of lateral lattice-forming interactions, Env3 diffuses comparably to Gag-absent Env3. Initial immobility of Env3 is conferred through lateral caging by matrix trimers vertically coupled to the underlying hexameric capsid layer. Gag cleavage by protease vertically decouples the matrix and capsid layers, induces both matrix and Env3 diffusion, and permits Env3 clustering. Spreading across the entire membrane surface reduces crowding, in turn, enhancing the effect and promoting infectivity. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.

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

Lienhard, D. M.; Huisman, A. J.; Krieger, U. K.

New measurements of water diffusion in secondary organic aerosol (SOA) material produced by oxidation of α-pinene and in a number of organic/inorganic model mixtures (3-methylbutane-1,2,3-tricarboxylic acid (3-MBTCA), levoglucosan, levoglucosan/NH 4HSO 4, raffinose) are presented. These indicate that water diffusion coefficients are determined by several properties of the aerosol substance and cannot be inferred from the glass transition temperature or bouncing properties. Our results suggest that water diffusion in SOA particles is faster than often assumed and imposes no significant kinetic limitation on water uptake and release at temperatures above 220 K. The fast diffusion of water suggests that heterogeneous icemore » nucleation on a glassy core is very unlikely in these systems. At temperatures below 220 K, model simulations of SOA particles suggest that heterogeneous ice nucleation may occur in the immersion mode on glassy cores which remain embedded in a liquid shell when experiencing fast updraft velocities. The particles absorb significant quantities of water during these updrafts which plasticize their outer layers such that these layers equilibrate readily with the gas phase humidity before the homogeneous ice nucleation threshold is reached. Glass formation is thus unlikely to restrict homogeneous ice nucleation. Only under most extreme conditions near the very high tropical tropopause may the homogeneous ice nucleation rate coefficient be reduced as a consequence of slow condensed-phase water diffusion. Since the differences between the behavior limited or non limited by diffusion are small even at the very high tropical tropopause, condensed-phase water diffusivity is unlikely to have significant consequences on the direct climatic effects of SOA particles under tropospheric conditions.« less

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

Wolfram, Phillip J.; Ringler, Todd D.

Meridional diffusivity is assessed in this paper for a baroclinically unstable jet in a high-latitudeIdealized Circumpolar Current (ICC) using the Model for Prediction Across Scales-Ocean (MPAS-O) and the online Lagrangian In-situ Global High-performance particle Tracking (LIGHT) diagnostic via space-time dispersion of particle clusters over 120 monthly realizations of O(10 6) particles on 11 potential density surfaces. Diffusivity in the jet reaches values of O(6000 m 2 s -1) and is largest near the critical layer supporting mixing suppression and critical layer theory. Values in the vicinity of the shelf break are suppressed to O(100 m 2 s -1) due tomore » the presence of westward slope front currents. Diffusivity attenuates less rapidly with depth in the jet than both eddy velocity and kinetic energy scalings would suggest. Removal of the mean flow via high-pass filtering shifts the nonlinear parameter (ratio of the eddy velocity to eddy phase speed) into the linear wave regime by increasing the eddy phase speed via the depth-mean flow. Low-pass filtering, in contrast, quantifies the effect of mean shear. Diffusivity is decomposed into mean flow shear, linear waves, and the residual nonhomogeneous turbulence components, where turbulence dominates and eddy-produced filamentation strained by background mean shear enhances mixing, accounting for ≥ 80% of the total diffusivity relative to mean shear [O(100 m 2 s -1)], linear waves [O(1000 m 2 s -1)], and undecomposed full diffusivity [O(6000 m 2 s -1)]. Finally, diffusivity parameterizations accounting for both the nonhomogeneous turbulence residual and depth variability are needed.« less

Effect of Riblets on Pressure Recovery in a Straight-Walled Diffuser

DTIC Science & Technology

1990-12-01

in the boundary layer velocity pro - file. As the flow continues to oppose the adverse pressure gradient, the fluid near the wall begins to flow in the...and was 37 inches long. The floor and ceiling of the test section were con - 3 structed of wood and the side panels were made of plexiglass. Both side...the diffuser remained fairly con - stant at 52 percent. The riblet results seem to follow the same trend, providing an approximate 35 percent increase in

Computation of the unsteady facilitated transport of oxygen in hemoglobin

NASA Technical Reports Server (NTRS)

Davis, Sanford

1990-01-01

The transport of a reacting permeant diffusing through a thin membrane is extended to more realistic dissociation models. A new nonlinear analysis of the reaction-diffusion equations, using implicit finite-difference methods and direct block solvers, is used to study the limits of linearized and equilibrium theories. Computed curves of molecular oxygen permeating through hemoglobin solution are used to illustrate higher-order reaction models, the effect of concentration boundary layers at the membrane interfaces, and the transient buildup of oxygen flux.

Kinetics of Isothermal Reactive Diffusion Between Solid Cu and Liquid Sn

NASA Astrophysics Data System (ADS)

O, M.; Suzuki, T.; Kajihara, M.

2018-01-01

The Cu/Sn system is one of the most fundamental and important metallic systems for solder joints in electric devices. To realize reliable solder joints, information on reactive diffusion at the solder joint is very important. In the present study, we experimentally investigated the kinetics of the reactive diffusion between solid Cu and liquid Sn using semi-infinite Cu/Sn diffusion couples prepared by an isothermal bonding technique. Isothermal annealing of the diffusion couple was conducted in the temperature range of 533-603 K for various times up to 172.8 ks (48 h). Using annealing, an intermetallic layer composed of Cu6Sn5 with scallop morphology and Cu3Sn with rather uniform thickness is formed at the original Cu/Sn interface in the diffusion couple. The growth of the Cu6Sn5 scallop occurs much more quickly than that of the Cu3Sn layer and thus predominates in the overall growth of the intermetallic layer. This tendency becomes more remarkable at lower annealing temperatures. The total thickness of the intermetallic layer is proportional to a power function of the annealing time, and the exponent of the power function is close to unity at all the annealing temperatures. This means that volume diffusion controls the intermetallic growth and the morphology of the Cu6Sn5/Sn interface influences the rate-controlling process. Adopting a mean value of 0.99 for the exponent, we obtain a value of 26 kJ/mol for the activation enthalpy of the intermetallic growth.

Effect of Intermetallic on Electromigration and Atomic Diffusion in Cu/SnAg3.0Cu0.5/Cu Joints: Experimental and First-Principles Study

NASA Astrophysics Data System (ADS)

Zhou, Wei; Liu, Lijuan; Li, Baoling; Wu, Ping

2009-06-01

Electromigration phenomena in a one-dimensional Cu/SnAg3.0Cu0.5/Cu joint were investigated with current stressing. The special effect of intermetallic compound (IMC) layers on the formation of serious electromigration damage induced by nonuniform current density distribution was discussed based on experimental results. Meanwhile, hillocks were observed both at the anode and near the cathode of the joint, and they were described as the result of diffusion of atoms and compressive stress released along grain boundaries to the relatively free surface. Moreover, the diffusion behavior of Cu at the cathode was analyzed with the electromigration equation, and the stability of Ag atoms in the solder during electromigration was evaluated with a first-principles method.

Product mass transfer resistance directly determined during freeze-drying cycle runs using tunable diode laser absorption spectroscopy (TDLAS) and pore diffusion model.

PubMed

Kuu, Wei Y; O'Bryan, Kevin R; Hardwick, Lisa M; Paul, Timothy W

2011-08-01

The pore diffusion model is used to express the dry layer mass transfer resistance, [Formula: see text], as a function of the ratio r(e)/?, where r(e) is the effective pore radius and ? is the tortuosity factor of the dry layer. Using this model, the effective pore radius of the dry layer can be estimated from the sublimation rate and product temperature profiles measured during primary drying. Freeze-drying cycle runs were performed using the LyoStar II dryer (FTS Systems), with real-time sublimation rate profiles during freeze drying continuously measured by tunable diode laser absorption spectroscopy (TDLAS). The formulations chosen for demonstration of the proposed approach include 5% mannitol, 5% sucrose, 5% lactose, 3% mannitol plus 2% sucrose, and a parenteral nutrition formulation denoted VitaM12. The three different methods used for determination of the product resistance are: (1) Using both the sublimation rate and product temperature profiles, (2) using the sublimation rate profile alone, and (3) using the product temperate profile alone. Unlike the second and third methods, the computation procedure of first method does not need solution of the complex heat and mass transfer equations.

The influence of interface on spin pumping effect in Ni{sub 80}Fe{sub 20} /Tb bilayer

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

Yue, Jinjin; Jiang, Sheng; Zhang, Dong

2016-05-15

Focusing on the interface effect of the Ni{sub 80}Fe{sub 20} (Py)/terbium (Tb) bilayer, the influence of interface on the magnetization dynamic damping is investigated systematically. Two series of Py (12 nm)/Tb (d nm) films with and without copper (Cu) (1 nm) interlayer are deposited on silicon (Si) substrates by DC magnetron sputtering at room temperature. From vibrating sample magnetometer (VSM) measurements, the saturation magnetization (M{sub s}) decreases with increasing Tb thickness in Py/Tb bilayer while the decrease of M{sub s} is suppressed efficiently by inserting a Cu layer with even 1 nm of thickness. From the frequency dependence of ferromagneticmore » resonance (FMR) linewidth, we can obtain the Gilbert damping coefficient (α), α is found to exhibit an extreme enhancement in comparison to the single Py layer and shows an increasing trend with increasing Tb thickness. By inserting the Cu layer, α decreases significantly. From theoretical fitting, the spin diffusion length (λ{sub SD}) and spin mixing conductance (g{sup ↑↓}) are determined. It shows that the interface structure influences the spin mixing conductance but not the spin diffusion length.« less

Viscous organic aerosol particles in the upper troposphere: diffusivity-controlled water uptake and ice nucleation?

DOE PAGES

Lienhard, D. M.; Huisman, A. J.; Krieger, U. K.; ...

2015-01-01

New measurements of water diffusion in secondary organic aerosol (SOA) material produced by oxidation of α-pinene and in a number of organic/inorganic model mixtures (3-methylbutane-1,2,3-tricarboxylic acid (3-MBTCA), levoglucosan, levoglucosan/NH 4HSO 4, raffinose) are presented. These indicate that water diffusion coefficients are determined by several properties of the aerosol substance and cannot be inferred from the glass transition temperature or bouncing properties. Our results suggest that water diffusion in SOA particles is faster than often assumed and imposes no significant kinetic limitation on water uptake and release at temperatures above 220 K. The fast diffusion of water suggests that heterogeneous icemore » nucleation on a glassy core is very unlikely in these systems. At temperatures below 220 K, model simulations of SOA particles suggest that heterogeneous ice nucleation may occur in the immersion mode on glassy cores which remain embedded in a liquid shell when experiencing fast updraft velocities. The particles absorb significant quantities of water during these updrafts which plasticize their outer layers such that these layers equilibrate readily with the gas phase humidity before the homogeneous ice nucleation threshold is reached. Glass formation is thus unlikely to restrict homogeneous ice nucleation. Only under most extreme conditions near the very high tropical tropopause may the homogeneous ice nucleation rate coefficient be reduced as a consequence of slow condensed-phase water diffusion. Since the differences between the behavior limited or non limited by diffusion are small even at the very high tropical tropopause, condensed-phase water diffusivity is unlikely to have significant consequences on the direct climatic effects of SOA particles under tropospheric conditions.« less

A Physical Mechanism for the Asymmetry in Top-Down and Bottom-Up Diffusion.

NASA Astrophysics Data System (ADS)

Wyngaard, J. C.

1987-04-01

Recent large-eddy simulations of the vertical diffusion of a passive, conservative scalar through the convective boundary layer (CBL) show strikingly different eddy diffusivity profiles in the `top-down' and `bottom-up' cases. These results indicate that for a given turbulent velocity field and associated scalar flux, the mean change in scalar mixing ratio across the CBL is several times larger if the flux originates at the top of the boundary layer (i.e., in top-down diffusion) rather than at the bottom. The large-eddy simulation (LES) data show that this asymmetry is due to a breakdown of the eddy-diffusion concept.A simple updraft-downdraft model of the CBL reveals a physical mechanism that could cause this unexpected behavior. The large, positive skewness of the convectively driven vertical velocity gives an appreciably higher probability of downdrafts than updrafts; this excess probability of downdrafts, interacting with the time changes of the mean mixing ratio caused by the nonstationarity of the bottom-up and top-down diffusion processes, decreases the equilibrium value of mean mixing-ratio jump across the mixed layer in the bottom-up case and increases it in the top-down case. The resulting diffusion asymmetry agrees qualitatively with that found through LES.

Linear growth of the Kelvin-Helmholtz instability with an adiabatic cosmic-ray gas

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

Suzuki, Akihiro; Takahashi, Hiroyuki R.; Kudoh, Takahiro

2014-06-01

We investigate effects of cosmic rays on the linear growth of the Kelvin-Helmholtz instability. Cosmic rays are treated as an adiabatic gas and allowed to diffuse along magnetic field lines. We calculated the dispersion relation of the instability for various sets of two free parameters, the ratio of the cosmic-ray pressure to the thermal gas pressure, and the diffusion coefficient. Including cosmic-ray effects, a shear layer is more destabilized and the growth rates can be enhanced in comparison with the ideal magnetohydrodynamical case. Whether the growth rate is effectively enhanced or not depends on the diffusion coefficient of cosmic rays.more » We obtain the criterion for effective enhancement by comparing the growing timescale of the instability with the diffusion timescale of cosmic rays. These results can be applied to various astrophysical phenomena where a velocity shear is present, such as outflows from star-forming galaxies, active galactic nucleus jet, channel flows resulting from the nonlinear development of the magnetorotational instability, and galactic disks.« less

Design of a Three-Layer Antireflection Coating for High Efficiency Indium Phosphide Solar Cells Using a Chemical Oxide as First Layer

NASA Technical Reports Server (NTRS)

Moulot, Jacques; Faur, Mircea; Faur, Maria; Goradia, Chandra; Goradia, Manju; Bailey, Sheila

1995-01-01

It is well known that the behavior of III-V compound based solar cells is largely controlled by their surface, since the majority of light generated carriers (63% for GaAs and 79% for InP) are created within 0.2 microns of the illuminated surface of the cell. Consequently, the always observed high surface recombination velocity (SRV) on these cells is a serious limiting factor for their high efficiency performance, especially for those with the p-n junction made by either thermal diffusion or ion implantation. A good surface passivation layer, ideally, a grown oxide as opposed to a deposited one, will cause a significant reduction in the SRV without adding interface problems, thus improving the performance of III-V compound based solar cells. Another significant benefit to the overall performance of the solar cells can be achieved by a substantial reduction of their large surface optical reflection by the use of a well designed antireflection (AR) coating. In this paper, we demonstrate the effectiveness of using a chemically grown, thermally and chemically stable oxide, not only for surface passivation but also as an integral part of a 3- layer AR coating for thermally diffused p(+)n InP solar cells. A phosphorus-rich interfacial oxide, In(PO3)3, is grown at the surface of the p(+) emitter using an etchant based on HNO3, o-H3PO4 and H2O2. This oxide has the unique properties of passivating the surface as well as serving as a fairly efficient antireflective layer yielding a measured record high AM0, 25 C, open-circuit voltage of 890.3 mV on a thermally diffused InP(Cd,S) solar cell. Unlike conventional single layer AR coatings such as ZnS, Sb2O3, SiO or double layer AR coatings such as ZnS/MgF2 deposited by e-beam or resistive evaporation, this oxide preserves the stoichiometry of the InP surface. We show that it is possible to design a three-layer AR coating for a thermally diffused InP solar cell using the In(PO3)3 grown oxide as the first layer and Al2O3, MgF2 or ZnS, MgF2 as the second and third layers respectively, so as to yield an overall theoretical reflectance of less than 2%. Since chemical oxides are readily grown on III-V semiconductor materials, the technique of using the grown oxide layer to both passivate the surface as well as serve as the first of a multilayer AR coating, should work well for essentially all III-V compound-based solar cells.

Design of a three-layer antireflection coating for high efficiency indium phosphide solar cells using a chemical oxide as first layer

NASA Technical Reports Server (NTRS)

Moulot, Jacques; Faur, M.; Faur, M.; Goradia, C.; Goradia, M.; Bailey, S.

1995-01-01

It is well known that the behavior of III-V compound based solar cells is largely controlled by their surface, since the majority of light generated carriers (63% for GaAs and 79% for InP) are created within 0.2 mu m of the surface of the illuminated cell. Consequently, the always observed high surface recombination velocity (SRV) on these cells is a serious limiting factor for their high efficiency performance, especially for those with p-n junction made by either thermal diffusion or ion implantation. A good surface passivation layer, ideally a grown oxide as opposed to a deposited one, will cause a significant reduction in the SRV without adding interface problems, thus improving the performance of III-V compound based solar cells. Another significant benefit to the overall performance of the solar cells can be achieved by a substantial reduction of their large surface optical reflection by the use of a well designed antireflection (AR) coating. In this paper, we demonstrate the effectiveness of using a chemically grown thermally and chemically stable oxide, not only for surface passivation but also as an integral part of a 3-layer AR coating for thermally diffused p+n InP solar cells. A phosphorus-rich interfacial oxide, In(PO3)3, is grown at the surface of the p+ emitter using an etchant based on HNO3, o-H3PO4 and H2O2. This oxide has the unique properties of passivating the surface as well as serving as an efficient antireflective layer yielding a measured record high AMO open-circuit voltage of 890.3 mV on a thermally diffused InP(Cd,S) solar cell. Unlike conventional single layer AR coatings such as ZnS, Sb2O3, SiO or double layer AR coatings such as ZnS/MgF2 deposited by e-beam or resistive evaporation, this oxide preserves the stoichiometry of the InP surface. We show that it is possible to design a three-layer AR coating for a thermally diffused InP solar cell using the In(PO3)3 grown oxide as the first layer and Al2O3 and MgF2 as the second and third layers respectively, so as to yield an overall theoretical reflectance of less than 2%. Since chemical oxides are readily grown on III-V semiconductors materials, the technique of using the grown oxide layer to both passivate the surface as well as serve as the first of a multilayer AR coating should work well for all III-V compound-based solar cells.

Interface morphology of Mo/Si multilayer systems with varying Mo layer thickness studied by EUV diffuse scattering.

PubMed

Haase, Anton; Soltwisch, Victor; Braun, Stefan; Laubis, Christian; Scholze, Frank

2017-06-26

We investigate the influence of the Mo-layer thickness on the EUV reflectance of Mo/Si mirrors with a set of unpolished and interface-polished Mo/Si/C multilayer mirrors. The Mo-layer thickness is varied in the range from 1.7 nm to 3.05 nm. We use a novel combination of specular and diffuse intensity measurements to determine the interface roughness throughout the multilayer stack and do not rely on scanning probe measurements at the surface only. The combination of EUV and X-ray reflectivity measurements and near-normal incidence EUV diffuse scattering allows to reconstruct the Mo layer thicknesses and to determine the interface roughness power spectral density. The data analysis is conducted by applying a matrix method for the specular reflection and the distorted-wave Born approximation for diffuse scattering. We introduce the Markov-chain Monte Carlo method into the field in order to determine the respective confidence intervals for all reconstructed parameters. We unambiguously detect a threshold thickness for Mo in both sample sets where the specular reflectance goes through a local minimum correlated with a distinct increase in diffuse scatter. We attribute that to the known appearance of an amorphous-to-crystallization transition at a certain thickness threshold which is altered in our sample system by the polishing.

Diffusing, side-firing, and radial delivery laser balloon catheters for creating subsurface thermal lesions in tissue

NASA Astrophysics Data System (ADS)

Chang, Chun-Hung; Fried, Nathaniel M.

2016-02-01

Infrared lasers have been used in combination with applied cooling methods to preserve superficial skin layers during cosmetic surgery. Similarly, combined laser irradiation and tissue cooling may also allow development of minimally invasive laser therapies beyond dermatology. This study compares diffusing, side-firing, and radial delivery laser balloon catheter designs for creation of subsurface lesions in tissue, ex vivo, using a near-IR laser and applied contact cooling. An Ytterbium fiber laser with 1075 nm wavelength delivered energy through custom built 18 Fr (6-mm-OD) balloon catheters incorporating either 10-mm-long diffusing fiber tip, 90 degree side-firing fiber, or radial delivery cone mirror, through a central lumen. A chilled solution was flowed through a separate lumen into 9-mm-diameter balloon to keep probe cooled at 7°C. Porcine liver tissue samples were used as preliminary tissue model for immediate observation of thermal lesion creation. The diffusing fiber produced subsurface thermal lesions measuring 49.3 +/- 10.0 mm2 and preserved 0.8 +/- 0.1 mm of surface tissue. The side-firing fiber produced subsurface thermal lesions of 2.4 +/- 0.9 mm2 diameter and preserved 0.5 +/- 0.1 mm of surface tissue. The radial delivery probe assembly failed to produce subsurface thermal lesions, presumably due to the small effective spot diameter at the tissue surface, which limited optical penetration depth. Optimal laser power and irradiation time measured 15 W and 100 s for diffusing fiber and 1.4 W and 20 s, for side-firing fiber, respectively. Diffusing and side-firing laser balloon catheter designs provided subsurface thermal lesions in tissue. However, the divergent laser beam in both designs limited the ability to preserve a thicker layer of tissue surface. Further optimization of laser and cooling parameters may be necessary to preserve thicker surface tissue layers.

The formation of thermohaline staircases for large salt concentration differences in double diffusive convection

NASA Astrophysics Data System (ADS)

Yang, Yantao; Verzicco, Roberto; Lohse, Detlef

2016-11-01

In the upper layers of the tropical and subtropical ocean, step-like mean profiles for both temperature and salinity are often observed, a phenomenon referred to as thermohaline staircase. It consists of alternatively stacked mixing layers, and finger layers with sharp gradients in both mean temperature and salinity. It is believed that thermohaline staircases are caused by double diffusive convection (DDC), i.e. the convection flow with fluid density affected by two different scalars. Here we conducted direct numerical simulations of DDC bounded by two parallel plates and aimed to realise the multi-layer state similar to the oceanic thermohaline staircase. We applied an unstable salinity difference and a stable temperature difference across the two plates. We gradually increased the salinity Rayleigh number RaS , i.e. the strength of salinity difference, and fixed the relative strength of temperature difference. When RaS is high enough the flow undergoes a transition from a single finger layer to a triple layer state, where one mixing layer emerges between two finger layers. Such triple layer state is stable up to the turbulent diffusive time scale. The finger-layer height is larger for higher RaS . The dependences of the scalar fluxes on RaS were also investigated. Supported by Dutch FOM Foundation and NWO rpogramme MCEC; Computing resources from SURFSara and PRACE project 2015133124.

Diffusion profile of macromolecules within and between human skin layers for (trans)dermal drug delivery.

PubMed

Römgens, Anne M; Bader, Dan L; Bouwstra, Joke A; Baaijens, Frank P T; Oomens, Cees W J

2015-10-01

Delivering a drug into and through the skin is of interest as the skin can act as an alternative drug administration route for oral delivery. The development of new delivery methods, such as microneedles, makes it possible to not only deliver small molecules into the skin, which are able to pass the outer layer of the skin in therapeutic amounts, but also macromolecules. To provide insight into the administration of these molecules into the skin, the aim of this study was to assess the transport of macromolecules within and between its various layers. The diffusion coefficients in the epidermis and several locations in the papillary and reticular dermis were determined for fluorescein dextran of 40 and 500 kDa using a combination of fluorescent recovery after photobleaching experiments and finite element analysis. The diffusion coefficient was significantly higher for 40 kDa than 500 kDa dextran, with median values of 23 and 9 µm(2)/s in the dermis, respectively. The values only marginally varied within and between papillary and reticular dermis. For the 40 kDa dextran, the diffusion coefficient in the epidermis was twice as low as in the dermis layers. The adopted method may be used for other macromolecules, which are of interest for dermal and transdermal drug delivery. The knowledge about diffusion in the skin is useful to optimize (trans)dermal drug delivery systems to target specific layers or cells in the human skin. Copyright © 2015 Elsevier Ltd. All rights reserved.

Linking basin-scale and pore-scale gas hydrate distribution patterns in diffusion-dominated marine hydrate systems: DIFFUSION-DRIVEN HYDRATE GROWTH IN SANDS

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

Nole, Michael; Daigle, Hugh; Cook, Ann E.

The goal of this study is to computationally determine the potential distribution patterns of diffusion-driven methane hydrate accumulations in coarse-grained marine sediments. Diffusion of dissolved methane in marine gas hydrate systems has been proposed as a potential transport mechanism through which large concentrations of hydrate can preferentially accumulate in coarse-grained sediments over geologic time. Using one-dimensional compositional reservoir simulations, we examine hydrate distribution patterns at the scale of individual sand layers (1 to 20 m thick) that are deposited between microbially active fine-grained material buried through the gas hydrate stability zone (GHSZ). We then extrapolate to two- dimensional and basin-scalemore » three-dimensional simulations, where we model dipping sands and multilayered systems. We find that properties of a sand layer including pore size distribution, layer thickness, dip, and proximity to other layers in multilayered systems all exert control on diffusive methane fluxes toward and within a sand, which in turn impact the distribution of hydrate throughout a sand unit. In all of these simulations, we incorporate data on physical properties and sand layer geometries from the Terrebonne Basin gas hydrate system in the Gulf of Mexico. We demonstrate that diffusion can generate high hydrate saturations (upward of 90%) at the edges of thin sands at shallow depths within the GHSZ, but that it is ineffective at producing high hydrate saturations throughout thick (greater than 10 m) sands buried deep within the GHSZ. As a result, we find that hydrate in fine-grained material can preserve high hydrate saturations in nearby thin sands with burial.« less