Ultramicroelectrode voltammetry and scanning electrochemical microscopy in room-temperature ionic liquid electrolytes.

PubMed

Walsh, Darren A; Lovelock, Kevin R J; Licence, Peter

2010-11-01

The high viscosity and unusual properties of room temperature ionic liquids (RTILs) present a number of challenges when performing steady-state voltammetry and scanning electrochemical microscopy in RTILs. These include difficulties in recording steady-state currents at ultramicroelectrode surfaces due to low diffusion coefficients of redox species and problems associated with unequal diffusion coefficients of oxidised and reduced species in RTILs. In this tutorial review, we highlight the recent progress in the use of RTILs as electrolytes for ultramicroelectrode voltammetry and SECM. We describe the basic principles of ultramicroelectrode voltammetry and SECM and, using examples from the recent literature, we discuss the conditions that must be met to perform steady-state voltammetry and SECM measurements in RTILs. Finally, we briefly discuss the electrochemical insights that can be obtained from such measurements.

User's instructions for the 41-node thermoregulatory model (steady state version)

NASA Technical Reports Server (NTRS)

Leonard, J. I.

1974-01-01

A user's guide for the steady-state thermoregulatory model is presented. The model was modified to provide conversational interaction on a remote terminal, greater flexibility for parameter estimation, increased efficiency of convergence, greater choice of output variable and more realistic equations for respiratory and skin diffusion water losses.

Intrinsic diffusion sensitivity of the balanced steady-state free precession (bSSFP) imaging sequence.

PubMed

Bär, Sébastien; Weigel, Matthias; von Elverfeldt, Dominik; Hennig, Jürgen; Leupold, Jochen

2015-11-01

The purpose of this work was to analyze the intrinsic diffusion sensitivity of the balanced steady-state free precession (bSSFP) imaging sequence, meaning the observation of diffusion-induced attenuation of the bSSFP steady-state signal due to the imaging gradients. Although these diffusion effects are usually neglected for most clinical gradient systems, such strong gradient systems are employed for high resolution imaging of small animals or MR Microscopy. The impact on the bSSFP signal of the imaging gradients characterized by their b-values was analyzed with simulations and experiments at a 7T animal scanner using a gradient system with maximum gradient amplitude of approx. 700 mT/m. It was found that the readout gradients have a stronger impact on the attenuation than the phase encoding gradients. Also, as the PE gradients are varying with each repetition interval, the diffusion effects induce strong modulations of the bSSFP signal over the sequence repetition cycles depending on the phase encoding gradient table. It is shown that a signal gain can be obtained through a change of flip angle as a new optimal flip angle maximizing the signal can be defined. The dependency of the diffusion effects on relaxation times and b-values were explored with simulations. The attenuation increases with T2. In conclusion, diffusion attenuation of the bSSFP signal becomes significant for high resolution imaging voxel size (roughly < 100 μm) of long T2 substances. Copyright © 2015 John Wiley & Sons, Ltd.

Determination of the optical properties of semi-infinite turbid media from frequency-domain reflectance close to the source.

PubMed

Kienle, A; Patterson, M S

1997-09-01

We investigate theoretically the errors in determining the reduced scattering and absorption coefficients of semi-infinite turbid media from frequency-domain reflectance measurements made at small distances between the source and the detector(s). The errors are due to the uncertainties in the measurement of the phase, the modulation and the steady-state reflectance as well as to the diffusion approximation which is used as a theoretical model to describe light propagation in tissue. Configurations using one and two detectors are examined for the measurement of the phase and the modulation and for the measurement of the phase and the steady-state reflectance. Three solutions of the diffusion equation are investigated. We show that measurements of the phase and the steady-state reflectance at two different distances are best suited for the determination of the optical properties close to the source. For this arrangement the errors in the absorption coefficient due to typical uncertainties in the measurement are greater than those resulting from the application of the diffusion approximation at a modulation frequency of 200 MHz. A Monte Carlo approach is also examined; this avoids the errors due to the diffusion approximation.

MATHEMATICAL ANALYSIS OF STEADY-STATE SOLUTIONS IN COMPARTMENT AND CONTINUUM MODELS OF CELL POLARIZATION

PubMed Central

ZHENG, ZHENZHEN; CHOU, CHING-SHAN; YI, TAU-MU; NIE, QING

2013-01-01

Cell polarization, in which substances previously uniformly distributed become asymmetric due to external or/and internal stimulation, is a fundamental process underlying cell mobility, cell division, and other polarized functions. The yeast cell S. cerevisiae has been a model system to study cell polarization. During mating, yeast cells sense shallow external spatial gradients and respond by creating steeper internal gradients of protein aligned with the external cue. The complex spatial dynamics during yeast mating polarization consists of positive feedback, degradation, global negative feedback control, and cooperative effects in protein synthesis. Understanding such complex regulations and interactions is critical to studying many important characteristics in cell polarization including signal amplification, tracking dynamic signals, and potential trade-off between achieving both objectives in a robust fashion. In this paper, we study some of these questions by analyzing several models with different spatial complexity: two compartments, three compartments, and continuum in space. The step-wise approach allows detailed characterization of properties of the steady state of the system, providing more insights for biological regulations during cell polarization. For cases without membrane diffusion, our study reveals that increasing the number of spatial compartments results in an increase in the number of steady-state solutions, in particular, the number of stable steady-state solutions, with the continuum models possessing infinitely many steady-state solutions. Through both analysis and simulations, we find that stronger positive feedback, reduced diffusion, and a shallower ligand gradient all result in more steady-state solutions, although most of these are not optimally aligned with the gradient. We explore in the different settings the relationship between the number of steady-state solutions and the extent and accuracy of the polarization. Taken together these results furnish a detailed description of the factors that influence the tradeoff between a single correctly aligned but poorly polarized stable steady-state solution versus multiple more highly polarized stable steady-state solutions that may be incorrectly aligned with the external gradient. PMID:21936604

Quantitative broadband absorption and scattering spectroscopy in turbid media by combined frequency-domain and steady state methodologies

DOEpatents

Tromberg, Bruce J [Irvine, CA; Berger, Andrew J [Rochester, NY; Cerussi, Albert E [Lake Forest, CA; Bevilacqua, Frederic [Costa Mesa, CA; Jakubowski, Dorota [Irvine, CA

2008-09-23

A technique for measuring broadband near-infrared absorption spectra of turbid media that uses a combination of frequency-domain and steady-state reflectance methods. Most of the wavelength coverage is provided by a white-light steady-state measurement, whereas the frequency-domain data are acquired at a few selected wavelengths. Coefficients of absorption and reduced scattering derived from the frequency-domain data are used to calibrate the intensity of the steady-state measurements and to determine the reduced scattering coefficient at all wavelengths in the spectral window of interest. The absorption coefficient spectrum is determined by comparing the steady-state reflectance values with the predictions of diffusion theory, wavelength by wavelength. Absorption spectra of a turbid phantom and of human breast tissue in vivo, derived with the combined frequency-domain and steady-state technique, agree well with expected reference values.

DIFFUSION MEASUREMENTS DURING PERVAPORATION THROUGH A ZEOLITE MEMBRANE

EPA Science Inventory

An isotopic-transient technique was used to directly measure diffusion times of H2O, methanol, ethanol, 2-propanol, and acetone in pure and binary mixture feeds transporting through a zeolite membrane under steady-state pervaporation conditions. Diffusivities can be determ...

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.

Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure

DOE PAGES

Liu, Da -Jiang; Evans, James W.

2015-04-02

We explore simple lattice-gas reaction models for CO-oxidation on 1D and 2D periodic arrays of surface adsorption sites. The models are motivated by studies of CO-oxidation on RuO 2(110) at high-pressures. Although adspecies interactions are neglected, the effective absence of adspecies diffusion results in kinetically-induced spatial correlations. A transition occurs from a random mainly CO-populated steady-state at high CO-partial pressure p CO, to a strongly-correlated near-O-covered steady-state for low p CO as noted. In addition, we identify a second transition to a random near-O-covered steady-state at very low p CO.

Application of quasi-steady state methods to molecular motor transport on microtubules in fungal hyphae.

PubMed

Dauvergne, Duncan; Edelstein-Keshet, Leah

2015-08-21

We consider bidirectional transport of cargo by molecular motors dynein and kinesin that walk along microtubules, and/or diffuse in the cell. The motors compete to transport cargo in opposite directions with respect to microtubule polarity (towards the plus or minus end of the microtubule). In recent work, Gou et al. (2014) used a hierarchical set of models, each consisting of continuum transport equations to track the evolution of motors and their cargo (early endosomes) in the specific case of the fungus Ustilago maydis. We complement their work using a framework of quasi-steady state analysis developed by Newby and Bressloff (2010) and Bressloff and Newby (2013) to reduce the models to an approximating steady state Fokker-Plank equation. This analysis allows us to find analytic approximations to the steady state solutions in many cases where the full models are not easily solved. Consequently, we can make predictions about parameter dependence of the resulting spatial distributions. We also characterize the overall rates of bulk transport and diffusion, and how these are related to state transition parameters, motor speeds, microtubule polarity distribution, and specific assumptions made. Copyright © 2015 Elsevier Ltd. All rights reserved.

Measurement of steady-state minority-carrier transport parameters in heavily doped n-type silicon

NASA Technical Reports Server (NTRS)

Del Alamo, Jesus A.; Swanson, Richard M.

1987-01-01

The relevant hole transport and recombination parameters in heavily doped n-type silicon under steady state are the hole diffusion length and the product of the hole diffusion coefficient times the hole equilibrium concentration. These parameters have measured in phosphorus-doped silicon grown by epitaxy throughout nearly two orders of magnitude of doping level. Both parameters are found to be strong functions of donor concentration. The equilibrium hole concentration can be deduced from the measurement. A rigid shrinkage of the forbidden gap appears as the dominant heavy doping mechanism in phosphorus-doped silicon.

Existence and uniqueness of steady state solutions of a nonlocal diffusive logistic equation

NASA Astrophysics Data System (ADS)

Sun, Linan; Shi, Junping; Wang, Yuwen

2013-08-01

In this paper, we consider a dynamical model of population biology which is of the classical Fisher type, but the competition interaction between individuals is nonlocal. The existence, uniqueness, and stability of the steady state solution of the nonlocal problem on a bounded interval with homogeneous Dirichlet boundary conditions are studied.

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.

Equatorial ground ice on Mars: Steady-state stability

NASA Technical Reports Server (NTRS)

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

1993-01-01

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

Evaluation of diffusion coefficients by means of an approximate steady-state condition in sedimentation velocity distributions.

PubMed

Scott, David J; Harding, Stephen E; Winzor, Donald J

2015-12-01

This investigation examined the feasibility of manipulating the rotor speed in sedimentation velocity experiments to spontaneously generate an approximate steady-state condition where the extent of diffusional spreading is matched exactly by the boundary sharpening arising from negative s-c dependence. Simulated sedimentation velocity distributions based on the sedimentation characteristics for a purified mucin preparation were used to illustrate a simple procedure for determining the diffusion coefficient from such steady-state distributions in situations where the concentration dependence of the sedimentation coefficient, s = s(0)/(1 + Kc), was quantified in terms of the limiting sedimentation coefficient as c → 0 (s(0)) and the concentration coefficient (K). Those simulations established that spontaneous generation of the approximate steady state could well be a feature of sedimentation velocity distributions for many unstructured polymer systems because the requirement that Kcoω(2)s(0)/D be between 46 and 183 cm(-2) is not unduly restrictive. Although spontaneous generation of the approximate steady state is also a theoretical prediction for structured macromolecular solutes exhibiting linear concentration dependence of the sedimentation coefficient, s = s(0)(1 - kc), the required value of k is far too large for any practical advantage to be taken of this approach with globular proteins. Copyright © 2015 Elsevier Inc. All rights reserved.

Chamber measurement of surface-atmosphere trace gas exchange--Numerical evaluation of dependence on soil interfacial layer, and source/sink products

USGS Publications Warehouse

Hutchinson, G.L.; Livingston, G.P.; Healy, R.W.; Striegl, Robert G.

2000-01-01

We employed a three-dimensional finite difference gas diffusion model to simulate the performance of chambers used to measure surface-atmosphere tace gas exchange. We found that systematic errors often result from conventional chamber design and deployment protocols, as well as key assumptions behind the estimation of trace gas exchange rates from observed concentration data. Specifically, our simulationshowed that (1) when a chamber significantly alters atmospheric mixing processes operating near the soil surface, it also nearly instantaneously enhances or suppresses the postdeployment gas exchange rate, (2) any change resulting in greater soil gas diffusivity, or greater partitioning of the diffusing gas to solid or liquid soil fractions, increases the potential for chamber-induced measurement error, and (3) all such errors are independent of the magnitude, kinetics, and/or distribution of trace gas sources, but greater for trace gas sinks with the same initial absolute flux. Finally, and most importantly, we found that our results apply to steady state as well as non-steady-state chambers, because the slow rate of gas diffusion in soil inhibits recovery of the former from their initial non-steady-state condition. Over a range of representative conditions, the error in steady state chamber estimates of the trace gas flux varied from -30 to +32%, while estimates computed by linear regression from non-steadystate chamber concentrations were 2 to 31% too small. Although such errors are relatively small in comparison to the temporal and spatial variability characteristic of trace gas exchange, they bias the summary statistics for each experiment as well as larger scale trace gas flux estimates based on them.

Steady-State Diffusion of Water through Soft-Contact LensMaterials

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

Fornasiero, Francesco; Krull, Florian; Radke, Clayton J.

2005-01-31

Water transport through soft contact lenses (SCL) is important for acceptable performance on the human eye. Chemical-potential gradient-driven diffusion rates of water through soft-contact-lens materials are measured with an evaporation-cell technique. Water is evaporated from the bottom surface of a lens membrane by impinging air at controlled flow rate and humidity. The resulting weight loss of a water reservoir covering the top surface of the contact-lens material is recorded as a function of time. New results are reported for a conventional hydrogel material (SofLens{trademark} One Day, hilafilcon A, water content at saturation W{sub 10} = 70 weight %) and amore » silicone hydrogel material (PureVision{trademark}, balafilcon A, W{sub 10} = 36 %), with and without surface oxygen plasma treatment. Also, previously reported data for a conventional HEMA-SCL (W{sub 10} = 38 %) hydrogel are reexamined and compared with those for SofLens{trademark} One Day and PureVision{trademark} hydrogels. Measured steady-state water fluxes are largest for SofLens{trademark} One Day, followed by PureVision{trademark} and HEMA. In some cases, the measured steady-state water fluxes increase with rising relative air humidity. This increase, due to an apparent mass-transfer resistance at the surface (trapping skinning), is associated with formation of a glassy skin at the air/membrane interface when the relative humidity is below 55-75%. Steady-state water-fluxes are interpreted through an extended Maxwell-Stefan diffusion model for a mixture of species starkly different in size. Thermodynamic nonideality is considered through Flory-Rehner polymer-solution theory. Shrinking/swelling is self-consistently modeled by conservation of the total polymer mass. Fitted Maxwell-Stefan diffusivities increase significantly with water concentration in the contact lens.« less

An analytical model for contaminant transport in landfill composite liners considering coupled effect of consolidation, diffusion, and degradation.

PubMed

Xie, Haijian; Yan, Huaxiang; Feng, Shijin; Wang, Qiao; Chen, Peixiong

2016-10-01

One-dimensional mathematical model is developed to investigate the behavior of contaminant transport in landfill composite liner system considering coupled effect of consolidation, diffusion, and degradation. The first- and second-type bottom boundary conditions are used to derive the steady-state and quasi-steady-state analytical solutions. The concentration profiles obtained by the proposed analytical solution are in good agreement with those obtained by the laboratory tests. The bottom concentration and flux of the soil liners can be greatly reduced when the degradation effect and porosity changing are considered. For the case under steady-state, the bottom flux and concentration for the case with t 1/2 =10 years can be 2.8 and 5.5 times lower than those of the case with t 1/2 =100 years, respectively. The bottom concentration and flux of the soil liners can be greatly reduced when the coefficient of volume compressibility decreases. For quasi-steady-state and with t 1/2 = 10 years, the bottom flux and concentration for the case with m v  = 0.02/MPa can be 17.4 and 21 times lower than the case with m v  = 0.5/MPa. This may be due to the fact that the true fluid velocity induced by consolidation is greater for the case with high coefficient of volume compressibility. The bottom flux for the case with single compacted clay liner (CCL) can be 1.5 times larger than that for the case with GMB/CCL considering diffusion and consolidation for DCM. The proposed analytical model can be used for verification of more complicated numerical models and assessment of the coupled effect of diffusion, consolidation, and degradation on contaminant transport in landfill liner systems.

Lifetime and diffusion length measurements on silicon material and solar cells

NASA Technical Reports Server (NTRS)

Othmer, S.; Chen, S. C.

1978-01-01

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

Effects of Lewis Number on Temperatures of Spherical Diffusion Flames

NASA Technical Reports Server (NTRS)

Santa, K. J.; Sun, Z.; Chao, B. H.; Sunderland, P. B.; Axelbaum, R. I.; Urban, D. L.; Stocker, D. P.

2007-01-01

Spherical diffusion flames supported on a porous sphere were studied numerically and experimentally. Experiments were performed in 2.2 s and 5.2 s microgravity facilities. Numerical results were obtained from a Chemkin-based program. The program simulates flow from a porous sphere into a quiescent environment, yields both steady-state and transient results, and accounts for optically thick gas-phase radiation. The low flow velocities and long residence times in these diffusion flames lead to enhanced radiative and diffusive effects. Despite similar adiabatic flame temperatures, the measured and predicted temperatures varied by as much as 700 K. The temperature reduction correlates with flame size but characteristic flow times and, importantly, Lewis number also influence temperature. The numerical results show that the ambient gas Lewis number would have a strong effect on flame temperature if the flames were steady and nonradiating. For example, a 10% decrease in Lewis number would increase the steady-state flame temperature by 200 K. However, for these transient, radiating flames the effect of Lewis number is small. Transient predictions of flame sizes are larger than those observed in microgravity experiments. Close agreement could not be obtained without either increasing the model s thermal and mass diffusion properties by 30% or reducing mass flow rate by 25%.

Electronic transport characterization of silicon wafers by spatially resolved steady-state photocarrier radiometric imaging

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

Wang, Qian; University of the Chinese Academy of Sciences, Beijing 100039; Li, Bincheng, E-mail: bcli@ioe.ac.cn

2015-09-28

Spatially resolved steady-state photocarrier radiometric (PCR) imaging technique is developed to characterize the electronic transport properties of silicon wafers. Based on a nonlinear PCR theory, simulations are performed to investigate the effects of electronic transport parameters (the carrier lifetime, the carrier diffusion coefficient, and the front surface recombination velocity) on the steady-state PCR intensity profiles. The electronic transport parameters of an n-type silicon wafer are simultaneously determined by fitting the measured steady-state PCR intensity profiles to the three-dimensional nonlinear PCR model. The determined transport parameters are in good agreement with the results obtained by the conventional modulated PCR technique withmore » multiple pump beam radii.« less

Influence of fast alpha diffusion and thermal alpha buildup on tokamak reactor performance

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

Uckan, N.A.; Tolliver, J.S.; Houlberg, W.A.

1987-11-01

The effect of fast alpha diffusion and thermal alpha accumulation on the confinement capability of a candidate Engineering Test Reactor (ETR) plasma (Tokamak Ignition/Burn Experimental Reactor (TIBER-II)) in achieving ignition and steady-state driven operation has been assessed using both global and 1-1/2-D transport models. Estimates are made of the threshold for radial diffusion of fast alphas and thermal alpha buildup. It is shown that a relatively low level of radial transport, when combined with large gradients in the fast alpha density, leads to a significant radial flow with a deleterious effect on plasma performance. Similarly, modest levels of thermal alphamore » concentration significantly influence the ignition and steady-state burn capability. 23 refs., 9 figs., 4 tabs.« less

Cyclic steady states in diffusion-induced plasticity with applications to lithium-ion batteries

NASA Astrophysics Data System (ADS)

Peigney, Michaël

2018-02-01

Electrode materials in lithium-ion batteries offer an example of medium in which stress and plastic flow are generated by the diffusion of guest atoms. In such a medium, deformation and diffusion are strongly coupled processes. For designing electrodes with improved lifetime and electro-mechanical efficiency, it is crucial to understand how plasticity and diffusion evolve over consecutive charging-recharging cycles. With such questions in mind, this paper provides general results for the large-time behavior of media coupling plasticity with diffusion when submitted to cyclic chemo-mechanical loadings. Under suitable assumptions, we show that the stress, the plastic strain rate, the chemical potential and the flux of guest atoms converge to a cyclic steady state which is largely independent of the initial state. A special emphasis is laid on the special case of elastic shakedown, which corresponds to the situation where the plastic strain stops evolving after a sufficiently large number of cycles. Elastic shakedown is expected to be beneficial for the fatigue behavior and - in the case of lithium-ion batteries - for the electro-chemical efficiency. We provide a characterization of the chemo-mechanical loadings for which elastic shakedown occurs. Building on that characterization, we suggest a general method for designing structures in such fashion that they operate in the elastic shakedown regime, whatever the initial state is. An attractive feature of the proposed method is that incremental analysis of the fully coupled plasticity-diffusion problem is avoided. The results obtained are applied to the model problem of a battery electrode cylinder particle under cyclic charging. Closed-form expressions are obtained for the set of charging rates and charging amplitudes for which elastic shakedown occurs, as well as for the corresponding cyclic steady states of stress, lithium concentration and chemical potential. Some results for a spherical particle are also presented.

Interface structure and contact melting in AgCu eutectic. A molecular dynamics study

NASA Astrophysics Data System (ADS)

Bystrenko, O.; Kartuzov, V.

2017-12-01

Molecular dynamics simulations of the interface structure in binary AgCu eutectic were performed by using the realistic EAM potential. In simulations, we examined the time dependence of the total energy in the process of equilibration, the probability distributions, the composition profiles for the components, and the component diffusivities within the interface zone. It is shown that the relaxation to the equilibrium in the solid state is accompanied by the formation of the steady disordered diffusion zone at the boundary between the crystalline components. At higher temperatures, closer to the eutectic point, the increase in the width of the steady diffusion zone is observed. The particle diffusivities grow therewith to the numbers typical for the liquid metals. Above the eutectic point, the steady zone does not form, instead, the complete contact melting in the system occurs. The results of simulations indicate that during the temperature increase the phenomenon of contact melting is preceded by the similar process spatially localized in the vicinity of the interface.

Bessel Fourier orientation reconstruction: an analytical EAP reconstruction using multiple shell acquisitions in diffusion MRI.

PubMed

Hosseinbor, Ameer Pasha; Chung, Moo K; Wu, Yu-Chien; Alexander, Andrew L

2011-01-01

The estimation of the ensemble average propagator (EAP) directly from q-space DWI signals is an open problem in diffusion MRI. Diffusion spectrum imaging (DSI) is one common technique to compute the EAP directly from the diffusion signal, but it is burdened by the large sampling required. Recently, several analytical EAP reconstruction schemes for multiple q-shell acquisitions have been proposed. One, in particular, is Diffusion Propagator Imaging (DPI) which is based on the Laplace's equation estimation of diffusion signal for each shell acquisition. Viewed intuitively in terms of the heat equation, the DPI solution is obtained when the heat distribution between temperatuere measurements at each shell is at steady state. We propose a generalized extension of DPI, Bessel Fourier Orientation Reconstruction (BFOR), whose solution is based on heat equation estimation of the diffusion signal for each shell acquisition. That is, the heat distribution between shell measurements is no longer at steady state. In addition to being analytical, the BFOR solution also includes an intrinsic exponential smootheing term. We illustrate the effectiveness of the proposed method by showing results on both synthetic and real MR datasets.

Diffusion measurements in the ischemic human brain with a steady-state sequence.

PubMed

Brüning, R; Wu, R H; Deimling, M; Porn, U; Haberl, R L; Reiser, M

1996-11-01

The authors evaluate the clinical usefulness of a diffusion-weighted steady-state free-precession (SSFP) sequence to detect acute and subacute ischemic changes. Twenty-four patients were examined on a 1.5-tesla scanner, using a SSFP-sequence (repetition time [TR]/ echo time [TE] = 22/3-8 mseconds). The slice thickness was 5 mm, 10 averages, 57 seconds per slice. The diffusion gradient strength was 23 millitesla/m, with b-values from 165 to 598 seconds/mm2. Diffusion-weighted images (DWI) were compared with T2-weighted images. The diffusion-weighted SSFP sequence produced diagnostic quality images in 23 of 24 patients. Diffusion depicted (group 1: 0-12 hours) more acute lesions (3 of 6) than T2-weighted images (2 of 6); the mean lesion diameter depicted by diffusion was 10.9 mm (standard deviation [SD], 12.3) and in T2-weighted images was 4.7 mm (SD 6.8). A significant correlation (P < 0.017) in subacute lesions was found when diffusion was compared with turbo spin echo (mean size difference/T2 = 18.5/17.5 mm, SD 13.2/12.2). The diffusion-weighted SSFP-sequence is more sensitive in acute ischemia and delineates likewise in subacute ischemia, when compared with T2-weighted imaging.

Quantification of the memory effect of steady-state currents from interaction-induced transport in quantum systems

NASA Astrophysics Data System (ADS)

Lai, Chen-Yen; Chien, Chih-Chun

2017-09-01

Dynamics of a system in general depends on its initial state and how the system is driven, but in many-body systems the memory is usually averaged out during evolution. Here, interacting quantum systems without external relaxations are shown to retain long-time memory effects in steady states. To identify memory effects, we first show quasi-steady-state currents form in finite, isolated Bose- and Fermi-Hubbard models driven by interaction imbalance and they become steady-state currents in the thermodynamic limit. By comparing the steady-state currents from different initial states or ramping rates of the imbalance, long-time memory effects can be quantified. While the memory effects of initial states are more ubiquitous, the memory effects of switching protocols are mostly visible in interaction-induced transport in lattices. Our simulations suggest that the systems enter a regime governed by a generalized Fick's law and memory effects lead to initial-state-dependent diffusion coefficients. We also identify conditions for enhancing memory effects and discuss possible experimental implications.

The creep properties of dispersion-strengthened silver-gallium oxide alloys.

NASA Technical Reports Server (NTRS)

Lenel, F. V.; Ansell, G. S.; Nazmy, M. Y.

1971-01-01

Steady-state creep rates were measured for two preparations of a dispersion-strengthened alloy of silver with 1 mol % gallium oxide. One preparation, an internally-oxidized type, had a grain size 40 times that of the other preparation, which was a consolidated-powder type of alloy. The temperature and stress dependence of the steady-state creep rate differs widely for the two alloys and must be attributed to the difference in grain size. The activation energy for steady-state creep of the internally-oxidized coarse grained material is near that for self-diffusion of silver, which strongly indicates a creep process controlled by dislocation climb.

Characterization of the collagen component of cartilage repair tissue of the talus with quantitative MRI: comparison of T2 relaxation time measurements with a diffusion-weighted double-echo steady-state sequence (dwDESS).

PubMed

Kretzschmar, M; Bieri, O; Miska, M; Wiewiorski, M; Hainc, N; Valderrabano, V; Studler, U

2015-04-01

The purpose of this study was to characterize the collagen component of repair tissue (RT) of the talus after autologous matrix-induced chondrogenesis (AMIC) using quantitative T2 and diffusion-weighted imaging. Mean T2 values and diffusion coefficients of AMIC-RT and normal cartilage of the talus of 25 patients with posttraumatic osteochondral lesions and AMIC repair were compared in a cross-sectional design using partially spoiled steady-state free precession (pSSFP) for T2 quantification, and diffusion-weighted double-echo steady-state (dwDESS) for diffusion measurement. RT and cartilage were graded with modified Noyes and MOCART scores on morphological sequences. An association between follow-up interval and quantitative MRI measures was assessed using multivariate regression, after stratifying the cohort according to time interval between surgery and MRI. Mean T2 of the AMIC-RT and cartilage were 43.1 ms and 39.1 ms, respectively (p = 0.26). Mean diffusivity of the RT (1.76 μm(2)/ms) was significantly higher compared to normal cartilage (1.46 μm(2)/ms) (p = 0.0092). No correlation was found between morphological and quantitative parameters. RT diffusivity was lowest in the subgroup with follow-up >28 months (p = 0.027). Compared to T2-mapping, dwDESS demonstrated greater sensitivity in detecting differences in the collagen matrix between AMIC-RT and cartilage. Decreased diffusivity in patients with longer follow-up times may indicate an increased matrix organization of RT. • MRI is used to assess morphology of the repair tissue during follow-up. • Quantitative MRI allows an estimation of biochemical properties of the repair tissue. • Differences between repair tissue and cartilage were more significant with dwDESS than T2 mapping.

Simulation studies of chemical erosion on carbon based materials at elevated temperatures

NASA Astrophysics Data System (ADS)

Kenmotsu, T.; Kawamura, T.; Li, Zhijie; Ono, T.; Yamamura, Y.

1999-06-01

We simulated the fluence dependence of methane reaction yield in carbon with hydrogen bombardment using the ACAT-DIFFUSE code. The ACAT-DIFFUSE code is a simulation code based on a Monte Carlo method with a binary collision approximation and on solving diffusion equations. The chemical reaction model in carbon was studied by Roth or other researchers. Roth's model is suitable for the steady state methane reaction. But this model cannot estimate the fluence dependence of the methane reaction. Then, we derived an empirical formula based on Roth's model for methane reaction. In this empirical formula, we assumed the reaction region where chemical sputtering due to methane formation takes place. The reaction region corresponds to the peak range of incident hydrogen distribution in the target material. We adopted this empirical formula to the ACAT-DIFFUSE code. The simulation results indicate the similar fluence dependence compared with the experiment result. But, the fluence to achieve the steady state are different between experiment and simulation results.

The Membrane Skeleton Controls Diffusion Dynamics and Signaling through the B Cell Receptor

PubMed Central

Treanor, Bebhinn; Depoil, David; Gonzalez-Granja, Aitor; Barral, Patricia; Weber, Michele; Dushek, Omer; Bruckbauer, Andreas; Batista, Facundo D.

2010-01-01

Summary Early events of B cell activation after B cell receptor (BCR) triggering have been well characterized. However, little is known about the steady state of the BCR on the cell surface. Here, we simultaneously visualize single BCR particles and components of the membrane skeleton. We show that an ezrin- and actin-defined network influenced steady-state BCR diffusion by creating boundaries that restrict BCR diffusion. We identified the intracellular domain of Igβ as important in mediating this restriction in diffusion. Importantly, alteration of this network was sufficient to induce robust intracellular signaling and concomitant increase in BCR mobility. Moreover, by using B cells deficient in key signaling molecules, we show that this signaling was most probably initiated by the BCR. Thus, our results suggest the membrane skeleton plays a crucial function in controlling BCR dynamics and thereby signaling, in a way that could be important for understanding tonic signaling necessary for B cell development and survival. PMID:20171124

Analysis of redox additive-based overcharge protection for rechargeable lithium batteries

NASA Technical Reports Server (NTRS)

Narayanan, S. R.; Surampudi, S.; Attia, A. I.; Bankston, C. P.

1991-01-01

The overcharge condition in secondary lithium batteries employing redox additives for overcharge protection, has been theoretically analyzed in terms of a finite linear diffusion model. The analysis leads to expressions relating the steady-state overcharge current density and cell voltage to the concentration, diffusion coefficient, standard reduction potential of the redox couple, and interelectrode distance. The model permits the estimation of the maximum permissible overcharge rate for any chosen set of system conditions. Digital simulation of the overcharge experiment leads to numerical representation of the potential transients, and estimate of the influence of diffusion coefficient and interelectrode distance on the transient attainment of the steady state during overcharge. The model has been experimentally verified using 1,1-prime-dimethyl ferrocene as a redox additive. The analysis of the experimental results in terms of the theory allows the calculation of the diffusion coefficient and the formal potential of the redox couple. The model and the theoretical results may be exploited in the design and optimization of overcharge protection by the redox additive approach.

A Two Species Bump-On-Tail Model With Relaxation for Energetic Particle Driven Modes

NASA Astrophysics Data System (ADS)

Aslanyan, V.; Porkolab, M.; Sharapov, S. E.; Spong, D. A.

2017-10-01

Energetic particle driven Alfvén Eigenmodes (AEs) observed in present day experiments exhibit various nonlinear behaviours varying from steady state amplitude at a fixed frequency to bursting amplitudes and sweeping frequency. Using the appropriate action-angle variables, the problem of resonant wave-particle interaction becomes effectively one-dimensional. Previously, a simple one-dimensional Bump-On-Tail (BOT) model has proven to be one of the most effective in describing characteristic nonlinear near-threshold wave evolution scenarios. In particular, dynamical friction causes bursting mode evolution, while diffusive relaxation may give steady-state, periodic or chaotic mode evolution. BOT has now been extended to include two populations of fast particles, with one dominated by dynamical friction at the resonance and the other by diffusion; the relative size of the populations determines the temporal evolution of the resulting wave. This suggests an explanation for recent observations on the TJ-II stellarator, where a transition between steady state and bursting occured as the magnetic configuration varied. The two species model is then applied to burning plasma with drag-dominated alpha particles and diffusion-dominated ICRH accelerated minority ions. This work was supported by the US DoE and the RCUK Energy Programme [Grant Number EP/P012450/1].

Influence of wind-induced air pressure fluctuations on topsoil gas concentrations within a Scots pine forest

NASA Astrophysics Data System (ADS)

Mohr, Manuel; Laemmel, Thomas; Maier, Martin; Schindler, Dirk

2017-04-01

Commonly it is assumed that soil gas transport is dominated by molecular diffusion. Few recent studies indicate that the atmosphere above the soil triggers non-diffusive gas transport processes in the soil, which can enhance soil gas transport and therefore soil gas efflux significantly. During high wind speed conditions, the so called pressure pumping effect has been observed: the enhancement of soil gas transport through dynamic changes in the air pressure field above the soil. However, the amplitudes and frequencies of the air pressure fluctuations responsible for pressure pumping are still uncertain. Moreover, an in situ observation of the pressure pumping effect is still missing. To investigate the pressure pumping effect, airflow measurements above and below the canopy of a Scots pine forest and high-precision relative air pressure measurements were conducted in the below-canopy space and in the soil over a measurement period of 16 weeks. To monitor the soil gas transport, a newly developed gas measurement system was used. The gas measurement system continuously injects helium as a tracer gas into the soil until a diffusive steady state is reached. With the steady state concentration profile of the tracer gas, it is possible to inversely model the gas diffusion coefficient profile of the soil. If the gas diffusion coefficient profile differed from steady state, we deduced that the soil gas transport is not only diffusive, but also influenced by non-diffusive processes. Results show that the occurrence of small air pressure fluctuations is strongly dependent on the mean above-canopy wind speed. The wind-induced air pressure fluctuations have mean amplitudes up to 10 Pa and lie in the frequency range 0.01-0.1 Hz. To describe the pumping motion of the air pressure field, the pressure pumping coefficient (PPC) was defined as the mean change in pressure per second. The PPC shows a clear quadratic dependence on mean above-canopy wind speed. Empirical modelling of the measured topsoil helium concentration demonstrated that the PPC is the most important predictor for changes in the topsoil helium concentration. Comparison of time periods with high PPC and periods of low PPC showed that the soil gas diffusion coefficient in depths between 5-10 cm increased up to 30% during periods of high PPC compared to steady state. Thus, the air pressure fluctuations observed in the atmosphere and described by the PPC penetrate into the soil and influence the topsoil gas transport.

Steady state whistler turbulence and stability of thermal barriers in tandem mirrors

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

Litwin, C.; Sudan, R.N.

The effect of the whistler turbulence on anisotropic electrons in a thermal barrier is examined. The electron distribution function is derived self-consistently by solving the steady state quasilinear diffusion equation. Saturated amplitudes are computed using the resonance broadening theory or convective stabilization. Estimated power levels necessary for sustaining the steady state of a strongly anisotropic electron population are found to exceed by orders of magnitude the estimates based on Fokker--Planck calculations for the range of parameters of tandem mirror (TMX-U and MFTF-B) experiments (Nucl. Fusion 25, 1205 (1985)). Upper limits on the allowed degree of anisotropy for existing power densitiesmore » are calculated.« less

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.

Bifurcations in the theory of current transfer to cathodes of DC discharges and observations of transitions between different modes

NASA Astrophysics Data System (ADS)

Bieniek, M. S.; Santos, D. F. N.; Almeida, P. G. C.; Benilov, M. S.

2018-04-01

General scenarios of transitions between different spot patterns on electrodes of DC gas discharges and their relation to bifurcations of steady-state solutions are analyzed. In the case of cathodes of arc discharges, it is shown that any transition between different modes of current transfer is related to a bifurcation of steady-state solutions. In particular, transitions between diffuse and spot modes on axially symmetric cathodes, frequently observed in the experiment, represent an indication of the presence of pitchfork or fold bifurcations of steady-state solutions. Experimental observations of transitions on cathodes of DC glow microdischarges are analyzed and those potentially related to bifurcations of steady-state solutions are identified. The relevant bifurcations are investigated numerically and the computed patterns are found to conform to those observed in the course of the corresponding transitions in the experiment.

Poissonian steady states: from stationary densities to stationary intensities.

PubMed

Eliazar, Iddo

2012-10-01

Markov dynamics are the most elemental and omnipresent form of stochastic dynamics in the sciences, with applications ranging from physics to chemistry, from biology to evolution, and from economics to finance. Markov dynamics can be either stationary or nonstationary. Stationary Markov dynamics represent statistical steady states and are quantified by stationary densities. In this paper, we generalize the notion of steady state to the case of general Markov dynamics. Considering an ensemble of independent motions governed by common Markov dynamics, we establish that the entire ensemble attains Poissonian steady states which are quantified by stationary Poissonian intensities and which hold valid also in the case of nonstationary Markov dynamics. The methodology is applied to a host of Markov dynamics, including Brownian motion, birth-death processes, random walks, geometric random walks, renewal processes, growth-collapse dynamics, decay-surge dynamics, Ito diffusions, and Langevin dynamics.

Poissonian steady states: From stationary densities to stationary intensities

NASA Astrophysics Data System (ADS)

Eliazar, Iddo

2012-10-01

Markov dynamics are the most elemental and omnipresent form of stochastic dynamics in the sciences, with applications ranging from physics to chemistry, from biology to evolution, and from economics to finance. Markov dynamics can be either stationary or nonstationary. Stationary Markov dynamics represent statistical steady states and are quantified by stationary densities. In this paper, we generalize the notion of steady state to the case of general Markov dynamics. Considering an ensemble of independent motions governed by common Markov dynamics, we establish that the entire ensemble attains Poissonian steady states which are quantified by stationary Poissonian intensities and which hold valid also in the case of nonstationary Markov dynamics. The methodology is applied to a host of Markov dynamics, including Brownian motion, birth-death processes, random walks, geometric random walks, renewal processes, growth-collapse dynamics, decay-surge dynamics, Ito diffusions, and Langevin dynamics.

Interpretation of diffusion coefficients in nanostructured materials from random walk numerical simulation.

PubMed

Anta, Juan A; Mora-Seró, Iván; Dittrich, Thomas; Bisquert, Juan

2008-08-14

We make use of the numerical simulation random walk (RWNS) method to compute the "jump" diffusion coefficient of electrons in nanostructured materials via mean-square displacement. First, a summary of analytical results is given that relates the diffusion coefficient obtained from RWNS to those in the multiple-trapping (MT) and hopping models. Simulations are performed in a three-dimensional lattice of trap sites with energies distributed according to an exponential distribution and with a step-function distribution centered at the Fermi level. It is observed that once the stationary state is reached, the ensemble of particles follow Fermi-Dirac statistics with a well-defined Fermi level. In this stationary situation the diffusion coefficient obeys the theoretical predictions so that RWNS effectively reproduces the MT model. Mobilities can be also computed when an electrical bias is applied and they are observed to comply with the Einstein relation when compared with steady-state diffusion coefficients. The evolution of the system towards the stationary situation is also studied. When the diffusion coefficients are monitored along simulation time a transition from anomalous to trap-limited transport is observed. The nature of this transition is discussed in terms of the evolution of electron distribution and the Fermi level. All these results will facilitate the use of RW simulation and related methods to interpret steady-state as well as transient experimental techniques.

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.

Cross-Diffusion Driven Instability for a Lotka-Volterra Competitive Reaction-Diffusion System

NASA Astrophysics Data System (ADS)

Gambino, G.; Lombardo, M. C.; Sammartino, M.

2008-04-01

In this work we investigate the possibility of the pattern formation for a reaction-diffusion system with nonlinear diffusion terms. Through a linear stability analysis we find the conditions which allow a homogeneous steady state (stable for the kinetics) to become unstable through a Turing mechanism. In particular, we show how cross-diffusion effects are responsible for the initiation of spatial patterns. Finally, we find a Fisher amplitude equation which describes the weakly nonlinear dynamics of the system near the marginal stability.

Diffuse cloud chemistry. [in interstellar matter

NASA Technical Reports Server (NTRS)

Van Dishoeck, Ewine F.; Black, John H.

1988-01-01

The current status of models of diffuse interstellar clouds is reviewed. A detailed comparison of recent gas-phase steady-state models shows that both the physical conditions and the molecular abundances in diffuse clouds are still not fully understood. Alternative mechanisms are discussed and observational tests which may discriminate between the various models are suggested. Recent developments regarding the velocity structure of diffuse clouds are mentioned. Similarities and differences between the chemistries in diffuse clouds and those in translucent and high latitude clouds are pointed out.

Part-2: Analytical Expressions of Concentrations of Glucose, Oxygen, and Gluconic Acid in a Composite Membrane for Closed-Loop Insulin Delivery for the Non-steady State Conditions.

PubMed

Mehala, N; Rajendran, L; Meena, V

2017-02-01

A mathematical model developed by Abdekhodaie and Wu (J Membr Sci 335:21-31, 2009), which describes a dynamic process involving an enzymatic reaction and diffusion of reactants and product inside glucose-sensitive composite membrane has been discussed. This theoretical model depicts a system of non-linear non-steady state reaction diffusion equations. These equations have been solved using new approach of homotopy perturbation method and analytical solutions pertaining to the concentrations of glucose, oxygen, and gluconic acid are derived. These analytical results are compared with the numerical results, and limiting case results for steady state conditions and a good agreement is observed. The influence of various kinetic parameters involved in the model has been presented graphically. Theoretical evaluation of the kinetic parameters like the maximal reaction velocity (V max ) and Michaelis-Menten constants for glucose and oxygen (K g and K ox ) is also reported. This predicted model is very much useful for designing the glucose-responsive composite membranes for closed-loop insulin delivery.

A reaction-diffusion model of the Darien Gap Sterile Insect Release Method

NASA Astrophysics Data System (ADS)

Alford, John G.

2015-05-01

The Sterile Insect Release Method (SIRM) is used as a biological control for invasive insect species. SIRM involves introducing large quantities of sterilized male insects into a wild population of invading insects. A fertile/sterile mating produces offspring that are not viable and the wild insect population will eventually be eradicated. A U.S. government program maintains a permanent sterile fly barrier zone in the Darien Gap between Panama and Columbia to control the screwworm fly (Cochliomyia Hominivorax), an insect that feeds off of living tissue in mammals and has devastating effects on livestock. This barrier zone is maintained by regular releases of massive quantities of sterilized male screwworm flies from aircraft. We analyze a reaction-diffusion model of the Darien Gap barrier zone. Simulations of the model equations yield two types of spatially inhomogeneous steady-state solutions representing a sterile fly barrier that does not prevent invasion and a barrier that does prevent invasion. We investigate steady-state solutions using both phase plane methods and monotone iteration methods and describe how barrier width and the sterile fly release rate affects steady-state behavior.

Steady state and dynamical structure of a cosmic-ray-modified termination shock

NASA Technical Reports Server (NTRS)

Donohue, D. J.; Zank, G. P.

1993-01-01

A hydrodynamic model is developed for the structure of a cosmic-ray-modified termination shock. The model is based on the two-fluid equations of diffuse shock acceleration (Drury and Volk, 1981). Both the steady state structure of the shock and its interaction with outer heliospheric disturbances are considered. Under the assumption that the solar wind is decelerated by diffusing interstellar cosmic rates, it is shown that the natural state of the termination shock is a gradual deceleration and compression, followed by a discontinuous jump to a downstream state which is dominated by the pressure contribution of the cosmic rays. A representative model is calculated for the steady state which incorporates both interstellar cosmic ray mediation and diffusively accelerated anomalous ions through a proposed thermal leakage mechanism. The interaction of large-scale disturbances with the equilibrium termination shock model is shown to result in some unusual downstream structure, including transmitted shocks and cosmic-ray-modified contact discontinuities. The structure observed may be connected to the 2-kHz outer heliospheric radio emission (Cairns et al., 1992a, b). The time-dependent simulations also demonstrate that interaction with solar wind compressible turbulence (e.g., traveling interplanetary shocks, etc.) could induce the termination shock to continually fluctuate between cosmic-ray-dominated and gas-dynamic states. This fluctuation may represent a partial explanation of the galactic cosmic ray modulation effect and illustrates that the Pioneer and Voyager satellites will encounter an evolving shock whose structure and dynamic properties are strongly influence by the mediation of interstellar and anomalous cosmic rays.

Steady state and dynamical structure of a cosmic-ray-modified termination shock

NASA Astrophysics Data System (ADS)

Donohue, D. J.; Zank, G. P.

1993-11-01

A hydrodynamic model is developed for the structure of a cosmic-ray-modified termination shock. The model is based on the two-fluid equations of diffuse shock acceleration (Drury and Volk, 1981). Both the steady state structure of the shock and its interaction with outer heliospheric disturbances are considered. Under the assumption that the solar wind is decelerated by diffusing interstellar cosmic rates, it is shown that the natural state of the termination shock is a gradual deceleration and compression, followed by a discontinuous jump to a downstream state which is dominated by the pressure contribution of the cosmic rays. A representative model is calculated for the steady state which incorporates both interstellar cosmic ray mediation and diffusively accelerated anomalous ions through a proposed thermal leakage mechanism. The interaction of large-scale disturbances with the equilibrium termination shock model is shown to result in some unusual downstream structure, including transmitted shocks and cosmic-ray-modified contact discontinuities. The structure observed may be connected to the 2-kHz outer heliospheric radio emission (Cairns et al., 1992a, b). The time-dependent simulations also demonstrate that interaction with solar wind compressible turbulence (e.g., traveling interplanetary shocks, etc.) could induce the termination shock to continually fluctuate between cosmic-ray-dominated and gas-dynamic states. This fluctuation may represent a partial explanation of the galactic cosmic ray modulation effect and illustrates that the Pioneer and Voyager satellites will encounter an evolving shock whose structure and dynamic properties are strongly influence by the mediation of interstellar and anomalous cosmic rays.

Correlation Structure of Fractional Pearson Diffusions.

PubMed

Leonenko, Nikolai N; Meerschaert, Mark M; Sikorskii, Alla

2013-09-01

The stochastic solution to a diffusion equations with polynomial coefficients is called a Pearson diffusion. If the first time derivative is replaced by a Caputo fractional derivative of order less than one, the stochastic solution is called a fractional Pearson diffusion. This paper develops an explicit formula for the covariance function of a fractional Pearson diffusion in steady state, in terms of Mittag-Leffler functions. That formula shows that fractional Pearson diffusions are long range dependent, with a correlation that falls off like a power law, whose exponent equals the order of the fractional derivative.

A simplified model for tritium permeation transient predictions when trapping is active*1

NASA Astrophysics Data System (ADS)

Longhurst, G. R.

1994-09-01

This report describes a simplified one-dimensional tritium permeation and retention model. The model makes use of the same physical mechanisms as more sophisticated, time-transient codes such as implantation, recombination, diffusion, trapping and thermal gradient effects. It takes advantage of a number of simplifications and approximations to solve the steady-state problem and then provides interpolating functions to make estimates of intermediate states based on the steady-state solution. Comparison calculations with the verified and validated TMAP4 transient code show good agreement.

Measurement and Perturbation of Morphogen Lifetime: Effects on Gradient Shape

PubMed Central

Drocco, Jeffrey A.; Grimm, Oliver; Tank, David W.; Wieschaus, Eric

2011-01-01

Protein lifetime is of critical importance for most biological processes and plays a central role in cell signaling and embryonic development, where it impacts the absolute concentration of signaling molecules and, potentially, the shape of morphogen gradients. Early conceptual and mathematical models of gradient formation proposed that steady-state gradients are established by an equilibration between the lifetime of a morphogen and its rates of synthesis and diffusion, though whether gradients in fact reach steady state before being read out is a matter of controversy. In any case, this class of models predicts that protein lifetime is a key determinant of both the time to steady state and the spatial extent of a gradient. Using a method that employs repeated photoswitching of a fusion of the morphogen Bicoid (Bcd) and the photoconvertible fluorescent protein Dronpa, we measure and modify the lifetime of Dronpa-Bcd in living Drosophila embryos. We find that the lifetime of Bcd is dynamic, changing from 50 min before mitotic cycle 14 to 15 min during cellularization. Moreover, by measuring total quantities of Bcd over time, we find that the gradient does not reach steady state. Finally, using a nearly continuous low-level conversion to the dark state of Dronpa-Bcd to mimic the effect of increased degradation, we demonstrate that perturbation of protein lifetime changes the characteristic length of the gradient, providing direct support for a mechanism based on synthesis, diffusion, and degradation. PMID:22004733

Diffuse charge dynamics in ionic thermoelectrochemical systems.

PubMed

Stout, Robert F; Khair, Aditya S

2017-08-01

Thermoelectrics are increasingly being studied as promising electrical generators in the ongoing search for alternative energy sources. In particular, recent experimental work has examined thermoelectric materials containing ionic charge carriers; however, the majority of mathematical modeling has been focused on their steady-state behavior. Here, we determine the time scales over which the diffuse charge dynamics in ionic thermoelectrochemical systems occur by analyzing the simplest model thermoelectric cell: a binary electrolyte between two parallel, blocking electrodes. We consider the application of a temperature gradient across the device while the electrodes remain electrically isolated from each other. This results in a net voltage, called the thermovoltage, via the Seebeck effect. At the same time, the Soret effect results in migration of the ions toward the cold electrode. The charge dynamics are described mathematically by the Poisson-Nernst-Planck equations for dilute solutions, in which the ion flux is driven by electromigration, Brownian diffusion, and thermal diffusion under a temperature gradient. The temperature evolves according to the heat equation. This nonlinear set of equations is linearized in the (experimentally relevant) limit of a "weak" temperature gradient. From this, we show that the time scale on which the thermovoltage develops is the Debye time, 1/Dκ^{2}, where D is the Brownian diffusion coefficient of both ion species, and κ^{-1} is the Debye length. However, the concentration gradient due to the Soret effect develops on the bulk diffusion time, L^{2}/D, where L is the distance between the electrodes. For thin diffuse layers, which is the condition under which most real devices operate, the Debye time is orders of magnitude less than the diffusion time. Therefore, rather surprisingly, the majority of ion motion occurs after the steady thermovoltage has developed. Moreover, the dynamics are independent of the thermal diffusion coefficients, which simply set the magnitude of the steady-state thermovoltage.

Diffuse charge dynamics in ionic thermoelectrochemical systems

NASA Astrophysics Data System (ADS)

Stout, Robert F.; Khair, Aditya S.

2017-08-01

Thermoelectrics are increasingly being studied as promising electrical generators in the ongoing search for alternative energy sources. In particular, recent experimental work has examined thermoelectric materials containing ionic charge carriers; however, the majority of mathematical modeling has been focused on their steady-state behavior. Here, we determine the time scales over which the diffuse charge dynamics in ionic thermoelectrochemical systems occur by analyzing the simplest model thermoelectric cell: a binary electrolyte between two parallel, blocking electrodes. We consider the application of a temperature gradient across the device while the electrodes remain electrically isolated from each other. This results in a net voltage, called the thermovoltage, via the Seebeck effect. At the same time, the Soret effect results in migration of the ions toward the cold electrode. The charge dynamics are described mathematically by the Poisson-Nernst-Planck equations for dilute solutions, in which the ion flux is driven by electromigration, Brownian diffusion, and thermal diffusion under a temperature gradient. The temperature evolves according to the heat equation. This nonlinear set of equations is linearized in the (experimentally relevant) limit of a "weak" temperature gradient. From this, we show that the time scale on which the thermovoltage develops is the Debye time, 1 /D κ2 , where D is the Brownian diffusion coefficient of both ion species, and κ-1 is the Debye length. However, the concentration gradient due to the Soret effect develops on the bulk diffusion time, L2/D , where L is the distance between the electrodes. For thin diffuse layers, which is the condition under which most real devices operate, the Debye time is orders of magnitude less than the diffusion time. Therefore, rather surprisingly, the majority of ion motion occurs after the steady thermovoltage has developed. Moreover, the dynamics are independent of the thermal diffusion coefficients, which simply set the magnitude of the steady-state thermovoltage.

INFLUENCES OF DIFFUSION AND ADVECTIVE FLOW ON THE DISTRIBUTION OF RADON ACTIVITY WITHIN U.S. EPA'S SOIL CHAMBER

EPA Science Inventory

The paper presents an analysis of steady-state diffusion in the soil for two different conditions of moisture. The model accounts for multiphase emanation and transport. When the position dependence of the moisture profile is taken into account, the model and measurements agree w...

Equivalence of two approaches for modeling ion permeation through a transmembrane channel with an internal binding site

NASA Astrophysics Data System (ADS)

Zhou, Huan-Xiang

2011-04-01

Ion permeation through transmembrane channels has traditionally been modeled using two different approaches. In one approach, the translocation of the permeant ion through the channel pore is modeled as continuous diffusion and the rate of ion transport is obtained from solving the steady-state diffusion equation. In the other approach, the translocation of the permeant ion through the pore is modeled as hopping along a discrete set of internal binding sites and the rate of ion transport is obtained from solving a set of steady-state rate equations. In a recent work [Zhou, J. Phys. Chem. Lett. 1, 1973 (2010)], the rate constants for binding to an internal site were further calculated by modeling binding as diffusion-influenced reactions. That work provided the foundation for bridging the two approaches. Here we show that, by representing a binding site as an energy well, the two approaches indeed give the same result for the rate of ion transport.

Boundary Layer Model for Air Pollutant Concentrations Due to Highway Traffic

ERIC Educational Resources Information Center

Ragland, Kenneth W.; Peirce, J. Jeffrey

1975-01-01

A numerical solution of the three-dimensional steady-state diffusion equation for a finite width line source is presented. The wind speed and eddy diffusivity as a function of height above the roadway are obtained. Normalized ground level and elevated concentrations near a highway are obtained for winds perpendicular, parallel, and at 45 degrees.…

Interferometric measurements of a dendritic growth front solutal diffusion layer

NASA Technical Reports Server (NTRS)

Hopkins, John A.; Mccay, T. D.; Mccay, Mary H.

1991-01-01

An experimental study was undertaken to measure solutal distributions in the diffusion layer produced during the vertical directional solidification (VDS) of an ammonium chloride - water (NH4Cl-H2O) solution. Interferometry was used to obtain concentration measurements in the 1-2 millimeter region defining the diffusion layer. These measurements were fitted to an exponential form to extract the characteristic diffusion parameter for various times after the start of solidification. The diffusion parameters are within the limits predicted by steady state theory and suggest that the effective solutal diffusivity is increasing as solidification progresses.

Heavy-tailed fractional Pearson diffusions.

PubMed

Leonenko, N N; Papić, I; Sikorskii, A; Šuvak, N

2017-11-01

We define heavy-tailed fractional reciprocal gamma and Fisher-Snedecor diffusions by a non-Markovian time change in the corresponding Pearson diffusions. Pearson diffusions are governed by the backward Kolmogorov equations with space-varying polynomial coefficients and are widely used in applications. The corresponding fractional reciprocal gamma and Fisher-Snedecor diffusions are governed by the fractional backward Kolmogorov equations and have heavy-tailed marginal distributions in the steady state. We derive the explicit expressions for the transition densities of the fractional reciprocal gamma and Fisher-Snedecor diffusions and strong solutions of the associated Cauchy problems for the fractional backward Kolmogorov equation.

Steady fall of isothermal, resistive-viscous, compressible fluid across magnetic field

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

Low, B. C., E-mail: low@ucar.edu; Egan, A. K., E-mail: andrea.egan@colorado.edu

This is a basic MHD study of the steady fall of an infinite, vertical slab of isothermal, resistive-viscous, compressible fluid across a dipped magnetic field in uniform gravity. This double-diffusion steady flow in unbounded space poses a nonlinear but numerically tractable, one-dimensional (1D) free-boundary problem, assuming constant coefficients of resistivity and viscosity. The steady flow is determined by a dimensionless number μ{sub 1} proportional to the triple product of the two diffusion coefficients and the square of the linear total mass. For a sufficiently large μ{sub 1}, the Lorentz, viscous, fluid-pressure, and gravitational forces pack and collimate the fluid intomore » a steady flow of a finite width defined by the two zero-pressure free-boundaries of the slab with vacuum. The viscous force is essential in this collimation effect. The study conjectures that in the regime μ{sub 1}→0, the 1D steady state exists only for μ{sub 1}∈Ω, a spectrum of an infinite number of discrete values, including μ{sub 1} = 0 that corresponds to two steady states, the classical zero-resistivity static slab of Kippenhahn and Schlüter [R. Kippenhahn and A. Schlüter, Z. Astrophys. 43, 36 (1957)] and its recent generalization [B. C. Low et al., Astrophys. J. 755, 34 (2012)] to admit an inviscid resistive flow. The pair of zero-pressure boundaries of each of the μ{sub 1}→0 steady-state slabs are located at infinity. Computational evidence suggests that the Ω steady-states are densely distributed around μ{sub 1} = 0, as an accumulation point, but are sparsely separated by open intervals of μ{sub 1}-values for which the slab must be either time-dependent or spatially multi-dimensional. The widths of these intervals are vanishingly small as μ{sub 1}→0. This topological structure of physical states is similar to that described by Landau and Liftshitz [L. D. Landau and E. M. Lifshitz, Fluid Mechanics (Addison-Wesley, Reading, MA, 1959)] to explain the onset of hydrodynamic turbulence. The implications of this MHD study are discussed, with an interest in the prominences in the solar atmosphere and the interstellar clouds in the Galaxy.« less

Steady states of OQBM: Central Limit Theorem, Gaussian and non-Gaussian behavior

NASA Astrophysics Data System (ADS)

Petruccione, Francesco; Sinayskiy, Ilya

Open Quantum Brownian Motion (OQBM) describes a Brownian particle with an additional internal quantum degree of freedom. Originally, it was introduced as a scaling limit of Open Quantum Walks (OQWs). Recently, it was noted, that for the model of free OQBM with a two-level system as an internal degree of freedom and decoherent coupling to a dissipative environment, one could use weak external driving of the internal degree of freedom to manipulate the steady-state position of the walker. This observation establishes a useful connection between controllable parameters of the OQBM, e.g. driving strengths and magnitude of detuning, and its steady state properties. Although OQWs satisfy a central limit theorem (CLT), it is known, that OQBM, in general, does not. The aim of this work is to derive steady states for some particular OQBMs and observe possible transitions from Gaussian to non-Gaussian behavior depending on the choice of quantum coin and as a function of diffusion coefficient and dissipation strength.

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.

Applicability of steady models for hot-star winds

NASA Technical Reports Server (NTRS)

Owocki, Stanley P.; Poe, Clint H.; Castor, John I.

1990-01-01

Non-Sobolev models of radiatively driven stellar winds based on a pure-absorption approximation do not have a well-defined steady state. Here the implications of this for flow time-dependence are examined, showing that, under such circumstances, instabilities in the flow attain an absolute character that leads to intrinsic variability. In this case, steady solutions are inherently inapplicable because they do not represent physically realizable states. However, for actual hot-star winds, driving is principally by scattering, not pure absorption. In practice, the relatively weak force associated with slight asymmetries in the diffuse, scattered radiation field may play a crucial role in breaking the solution degeneracy and reducing the instability from an absolute to an advective character.

A Study to Analyze the Permeation of High Density Gases and Propellant Vapors Through Single Layer Teflon or Teflon Structure Materials and Laminations. Volume 1

NASA Technical Reports Server (NTRS)

Johnson, R. L.; Young, Donald L. (Technical Monitor)

1967-01-01

This report contains the results of a fifteen month analytical and experimental study of the leakage rate of the pressurant gases (N2, He) and the propellant vapors (N2O4,N2H4) through bladder structures consisting of two layers of Teflon separated by a metallic foil diffusion barrier containing microscopic or larger holes. Results were obtained for the steady state leakage rate through circular holes and long rectangular openings in the barrier for arbitrary thicknesses of the two Teflon layers. The effect of hole shape and relative hole position on the leakage rate were studied. The transient problem was analyzed and it was shown that steady state calculations are adequate for estimating the leakage rate. A computer program entitled "Diffusion Analyzer Program" was developed to calculate the leakage rate, both transient and steady state. Finally, the analytical results were compared to experimentally determined values of the leakage rate through a model laminated bladder structure. The results of the analysis are in good agreement with experiment. The experimental effort (Part II of the Bladder Permeation Program) measured the solubility, diffusion coefficient and permeability of helium, nitrogen and nitrogen tetroxide vapor through Teflon TFE and FEP membranes. Data were obtained in the temperature range of 25 to 100 C at pressures ranging from near vacuum to about 20 atmospheres. Results of the experimental effort were compared with the limited data previously reported. As a verification to the applicability of results to actual bladder systems, counter diffusion tests were performed with a laminated sample containing aluminum foil with a selected group of holes.

Incorporating convection into one-dimensional solute redistribution during crystal growth from the melt I. The steady-state solution

NASA Astrophysics Data System (ADS)

Yen, C. T.; Tiller, W. A.

1992-03-01

A one-dimensional mathematical analysis is made of the redistribution of solute which occurs during crystal growth from a convected melt. In this analysis, the important contribution from lateral melt convection to one-dimensional solute redistribution analysis is taken into consideration via an annihilation/creation term in the one-dimensional solute transport equation. Calculations of solute redistribution under steady-state conditions have been carried out analytically. It is found that this new solute redistribution model overcomes several weaknesses that occur when applying the Burton, Prim and Slichter solute segregation equation (1953) in real melt growth situations. It is also found that, with this correction, the diffusion coefficients for solute's in liquid silicon are now found to be in the same range as other liquid metal diffusion coefficients.

Crossflow microfiltration of yeast suspensions in tubular filters.

PubMed

Redkar, S G; Davis, R H

1993-01-01

Crossflow microfiltration experiments were performed on yeast suspensions through 0.2-microns pore size ceramic and polypropylene tubes at various operating conditions. The initial transient flux decline follows dead-end filtration theory, with the membrane resistance determined from the initial flux and the specific cake resistance determined from the rate of flux decline due to cake buildup. For long times, the observed fluxes reach steady or nearly steady values, presumably as a result of the cake growth being arrested by the shear exerted at its surface. The steady-state fluxes increase with increasing shear rate and decreasing feed concentration, and they are nearly independent of transmembrane pressure. The steady-state fluxes for unwashed yeast in deionized water or fermentation media are typically 2-4 times lower than those predicted by a model based on the properties of nonadhesive, rigid spheres undergoing shear-induced back-diffusion. In contrast, the steady-state fluxes observed for washed yeast cells in deionized water are only 10-30% below the predicted values. The washed yeast cells also exhibited specific cake resistances that are an order of magnitude lower than those for the unwashed yeast. The differences are due to the presence of extracellular proteins and other macromolecules in the unwashed yeast suspensions. These biopolymers cause higher cell adhesion and resistance in the cake layer, so that the cells at the top edge are not free to diffuse away. This is manifested as a concentration jump from the edge of the cake layer to the sheared suspension adjacent to it.(ABSTRACT TRUNCATED AT 250 WORDS)

Monte Carlo analysis of uncertainty propagation in a stratospheric model. 1: Development of a concise stratospheric model

NASA Technical Reports Server (NTRS)

Rundel, R. D.; Butler, D. M.; Stolarski, R. S.

1977-01-01

A concise model has been developed to analyze uncertainties in stratospheric perturbations, yet uses a minimum of computer time and is complete enough to represent the results of more complex models. The steady state model applies iteration to achieve coupling between interacting species. The species are determined from diffusion equations with appropriate sources and sinks. Diurnal effects due to chlorine nitrate formation are accounted for by analytic approximation. The model has been used to evaluate steady state perturbations due to injections of chlorine and NO(X).

Modeling boundary measurements of scattered light using the corrected diffusion approximation

PubMed Central

Lehtikangas, Ossi; Tarvainen, Tanja; Kim, Arnold D.

2012-01-01

We study the modeling and simulation of steady-state measurements of light scattered by a turbid medium taken at the boundary. In particular, we implement the recently introduced corrected diffusion approximation in two spatial dimensions to model these boundary measurements. This implementation uses expansions in plane wave solutions to compute boundary conditions and the additive boundary layer correction, and a finite element method to solve the diffusion equation. We show that this corrected diffusion approximation models boundary measurements substantially better than the standard diffusion approximation in comparison to numerical solutions of the radiative transport equation. PMID:22435102

Steady state macroscopic model of the influence of water on the performances of a micro air-breathing fuel cell

NASA Astrophysics Data System (ADS)

Zeidan, M.; Turpin, Ch.; Cantin, F.; Astier, S.

2011-05-01

Water management is one of the most crucial issues to drive PEM fuel cells. The challenge is enhanced in the case of micro air-breathing proton exchange membrane fuel cells (μABFC): their thinness and their reduced surface indeed make their hydration state fast changing and very sensitive to the experimental conditions (temperature and relative humidity (RH)). It can lead to strong flooding or drying out issues. Firstly, this study highlights this sensitivity by various measurements. Then a steady state macroscopic model for the μABFC is proposed, focusing on the cathode, using a rather original approach for diffusion in porous media. Finally, a literal steady state formula for the water content is provided, and its influences on the performances of the μABFC are explicitly proposed. The model is parameterized and compared to measures in several atmospheric conditions.

Restoration of rhythmicity in diffusively coupled dynamical networks.

PubMed

Zou, Wei; Senthilkumar, D V; Nagao, Raphael; Kiss, István Z; Tang, Yang; Koseska, Aneta; Duan, Jinqiao; Kurths, Jürgen

2015-07-15

Oscillatory behaviour is essential for proper functioning of various physical and biological processes. However, diffusive coupling is capable of suppressing intrinsic oscillations due to the manifestation of the phenomena of amplitude and oscillation deaths. Here we present a scheme to revoke these quenching states in diffusively coupled dynamical networks, and demonstrate the approach in experiments with an oscillatory chemical reaction. By introducing a simple feedback factor in the diffusive coupling, we show that the stable (in)homogeneous steady states can be effectively destabilized to restore dynamic behaviours of coupled systems. Even a feeble deviation from the normal diffusive coupling drastically shrinks the death regions in the parameter space. The generality of our method is corroborated in diverse non-linear systems of diffusively coupled paradigmatic models with various death scenarios. Our study provides a general framework to strengthen the robustness of dynamic activity in diffusively coupled dynamical networks.

Distribution of randomly diffusing particles in inhomogeneous media

NASA Astrophysics Data System (ADS)

Li, Yiwei; Kahraman, Osman; Haselwandter, Christoph A.

2017-09-01

Diffusion can be conceptualized, at microscopic scales, as the random hopping of particles between neighboring lattice sites. In the case of diffusion in inhomogeneous media, distinct spatial domains in the system may yield distinct particle hopping rates. Starting from the master equations (MEs) governing diffusion in inhomogeneous media we derive here, for arbitrary spatial dimensions, the deterministic lattice equations (DLEs) specifying the average particle number at each lattice site for randomly diffusing particles in inhomogeneous media. We consider the case of free (Fickian) diffusion with no steric constraints on the maximum particle number per lattice site as well as the case of diffusion under steric constraints imposing a maximum particle concentration. We find, for both transient and asymptotic regimes, excellent agreement between the DLEs and kinetic Monte Carlo simulations of the MEs. The DLEs provide a computationally efficient method for predicting the (average) distribution of randomly diffusing particles in inhomogeneous media, with the number of DLEs associated with a given system being independent of the number of particles in the system. From the DLEs we obtain general analytic expressions for the steady-state particle distributions for free diffusion and, in special cases, diffusion under steric constraints in inhomogeneous media. We find that, in the steady state of the system, the average fraction of particles in a given domain is independent of most system properties, such as the arrangement and shape of domains, and only depends on the number of lattice sites in each domain, the particle hopping rates, the number of distinct particle species in the system, and the total number of particles of each particle species in the system. Our results provide general insights into the role of spatially inhomogeneous particle hopping rates in setting the particle distributions in inhomogeneous media.

Mechanism of energy coupling to entry and exit of neutral and branched chain amino acids in membrane vesicles of Streptococcus cremoris.

PubMed

Driessen, A J; Hellingwerf, K J; Konings, W N

1987-09-15

The energetics of neutral and branched chain amino acid transport by membrane vesicles from Streptococcus cremoris have been studied with a novel model system in which beef heart mitochondrial cytochrome c oxidase functions as a proton-motive force (delta p) generating system. In the presence of reduced cytochrome c, a large delta p was generated with a maximum value at pH 6.0. Apparent H+/amino acid stoichiometries (napp) have been determined at external pH values between 5.5 and 8.0 from the steady state levels of accumulation and the delta p. For L-leucine napp (0.8) was nearly independent of the pH. For L-alanine and L-serine napp decreased from 0.9-1.0 at pH 5.5 to 0-0.2 at pH 8.0. The napp for the different amino acids decreased with increasing external amino acid concentration. At pH 6.0, first order rate constants for amino acid exit (kex) under steady state conditions for L-leucine, L-alanine, and L-serine were 1.1-1.3, 0.084, and 0.053 min-1, respectively. From the pH dependence of kex it is concluded that amino acid exit in steady state is the sum of two processes, pH-dependent carrier-mediated amino acid exit and pH-independent passive diffusion (external leak). The first order rate constant for passive diffusion increased with increasing hydrophobicity of the side chain of the amino acids. As a result of these processes the kinetic steady state attained is less than the amino acid accumulation ratio predicted by thermodynamic equilibrium. The napp determined from the steady state accumulation represents, therefore, a lower limit. It is concluded that the mechanistic stoichiometry (n) for L-leucine, L-alanine, and L-serine transport most likely equals 1.

Divergent series and memory of the initial condition in the long-time solution of some anomalous diffusion problems.

PubMed

Yuste, S Bravo; Borrego, R; Abad, E

2010-02-01

We consider various anomalous d -dimensional diffusion problems in the presence of an absorbing boundary with radial symmetry. The motion of particles is described by a fractional diffusion equation. Their mean-square displacement is given by r(2) proportional, variant t(gamma)(00 , the emergence of such series in the long-time domain is a specific feature of subdiffusion problems. We present a method to regularize such series, and, in some cases, validate the procedure by using alternative techniques (Laplace transform method and numerical simulations). In the normal diffusion case, we find that the signature of the initial condition on the approach to the steady state rapidly fades away and the solution approaches a single (the main) decay mode in the long-time regime. In remarkable contrast, long-time memory of the initial condition is present in the subdiffusive case as the spatial part Psi1(r) describing the long-time decay of the solution to the steady state is determined by a weighted superposition of all spatial modes characteristic of the normal diffusion problem, the weight being dependent on the initial condition. Interestingly, Psi1(r) turns out to be independent of the anomalous diffusion exponent gamma .

High-order finite-volume solutions of the steady-state advection-diffusion equation with nonlinear Robin boundary conditions

NASA Astrophysics Data System (ADS)

Lin, Zhi; Zhang, Qinghai

2017-09-01

We propose high-order finite-volume schemes for numerically solving the steady-state advection-diffusion equation with nonlinear Robin boundary conditions. Although the original motivation comes from a mathematical model of blood clotting, the nonlinear boundary conditions may also apply to other scientific problems. The main contribution of this work is a generic algorithm for generating third-order, fourth-order, and even higher-order explicit ghost-filling formulas to enforce nonlinear Robin boundary conditions in multiple dimensions. Under the framework of finite volume methods, this appears to be the first algorithm of its kind. Numerical experiments on boundary value problems show that the proposed fourth-order formula can be much more accurate and efficient than a simple second-order formula. Furthermore, the proposed ghost-filling formulas may also be useful for solving other partial differential equations.

Dynamics and profiles of a diffusive host-pathogen system with distinct dispersal rates

NASA Astrophysics Data System (ADS)

Wu, Yixiang; Zou, Xingfu

2018-04-01

In this paper, we investigate a diffusive host-pathogen model with heterogeneous parameters and distinct dispersal rates for the susceptible and infected hosts. We first prove that the solution of the model exists globally and the model system possesses a global attractor. We then identify the basic reproduction number R0 for the model and prove its threshold role: if R0 ≤ 1, the disease free equilibrium is globally asymptotically stable; if R0 > 1, the solution of the model is uniformly persistent and there exists a positive (pathogen persistent) steady state. Finally, we study the asymptotic profiles of the positive steady state as the dispersal rate of the susceptible or infected hosts approaches zero. Our result suggests that the infected hosts concentrate at certain points which can be characterized as the pathogen's most favoured sites when the mobility of the infected host is limited.

The effect of safety factor profile on transport in steady-state, high-performance scenarios

DOE PAGES

Holcomb, C. T.; Ferron, J. R.; Luce, T. C.; ...

2012-03-09

In this study, an analysis of the dependence of transport on the safety factor profile in high-performance, steady-state scenario discharges is presented. This is based on experimental scans of q 95 and q min taken with fixed β N, toroidal field, double-null plasma shape, divertor pumping, and electron cyclotron current drive input. The temperature and thermal diffusivity profiles were found to vary considerably with the q-profile, and these variations were significantly different for electrons and ions. With fixed q 95, both temperature profiles increase and broaden as q min is increased and the magnetic shear becomes low or negative inmore » the inner half radius, but these temperature profile changes are stronger for the electrons. Power balance calculations show the peak in the ion thermal diffusivity (χ i) at ρ – 0.6 – 0.8 increases with q 95 or q min.« less

Modelling the growth of triglycine sulphate crystals in Spacelab 3

NASA Technical Reports Server (NTRS)

Yoo, Hak-Do; Wilcox, William R.; Lal, Ravindra; Trolinger, James D.

1988-01-01

Two triglycine sulphate crystals were grown from an aqueous solution in Spacelab 3 aboard a Space Shuttle. Using a diffusion coefficient of 0.00002 sq cm/s, a computerized simulation gave reasonable agreement between experimental and theoretical crystal sizes and interferometric lines in the solution near the growing crystal. This diffusion coefficient is larger than most measured values, possibly due to fluctuating accelerations on the order of .001 g (Earth's gravity). The average acceleration was estimated to be less than .000001 g. At this level, buoyancy driven convection is predicted to add approx. 20 percent to the steady state growth rate. Only very slight distortion of the interferometric lines was observed at the end of a 33 hr run. It is suggested that the time to reach steady state convective transport may be inversely proportional to g at low g, so that the full effect of convection was not realized in these experiments.

Analysis of Classes of Singular Steady State Reaction Diffusion Equations

NASA Astrophysics Data System (ADS)

Son, Byungjae

We study positive radial solutions to classes of steady state reaction diffusion problems on the exterior of a ball with both Dirichlet and nonlinear boundary conditions. We study both Laplacian as well as p-Laplacian problems with reaction terms that are p-sublinear at infinity. We consider both positone and semipositone reaction terms and establish existence, multiplicity and uniqueness results. Our existence and multiplicity results are achieved by a method of sub-supersolutions and uniqueness results via a combination of maximum principles, comparison principles, energy arguments and a-priori estimates. Our results significantly enhance the literature on p-sublinear positone and semipositone problems. Finally, we provide exact bifurcation curves for several one-dimensional problems. In the autonomous case, we extend and analyze a quadrature method, and in the nonautonomous case, we employ shooting methods. We use numerical solvers in Mathematica to generate the bifurcation curves.

Statistical mechanics of an ideal active fluid confined in a channel

NASA Astrophysics Data System (ADS)

Wagner, Caleb; Baskaran, Aparna; Hagan, Michael

The statistical mechanics of ideal active Brownian particles (ABPs) confined in a channel is studied by obtaining the exact solution of the steady-state Smoluchowski equation for the 1-particle distribution function. The solution is derived using results from the theory of two-way diffusion equations, combined with an iterative procedure that is justified by numerical results. Using this solution, we quantify the effects of confinement on the spatial and orientational order of the ensemble. Moreover, we rigorously show that both the bulk density and the fraction of particles on the channel walls obey simple scaling relations as a function of channel width. By considering a constant-flux steady state, an effective diffusivity for ABPs is derived which shows signatures of the persistent motion that characterizes ABP trajectories. Finally, we discuss how our techniques generalize to other active models, including systems whose activity is modeled in terms of an Ornstein-Uhlenbeck process.

Protein gradients in single cells induced by their coupling to "morphogen"-like diffusion

NASA Astrophysics Data System (ADS)

Nandi, Saroj Kumar; Safran, Sam A.

2018-05-01

One of the many ways cells transmit information within their volume is through steady spatial gradients of different proteins. However, the mechanism through which proteins without any sources or sinks form such single-cell gradients is not yet fully understood. One of the models for such gradient formation, based on differential diffusion, is limited to proteins with large ratios of their diffusion constants or to specific protein-large molecule interactions. We introduce a novel mechanism for gradient formation via the coupling of the proteins within a single cell with a molecule, that we call a "pronogen," whose action is similar to that of morphogens in multi-cell assemblies; the pronogen is produced with a fixed flux at one side of the cell. This coupling results in an effectively non-linear diffusion degradation model for the pronogen dynamics within the cell, which leads to a steady-state gradient of the protein concentration. We use stability analysis to show that these gradients are linearly stable with respect to perturbations.

A screening tool for delineating subregions of steady recharge within groundwater models

USGS Publications Warehouse

Dickinson, Jesse; Ferré, T.P.A.; Bakker, Mark; Crompton, Becky

2014-01-01

We have developed a screening method for simplifying groundwater models by delineating areas within the domain that can be represented using steady-state groundwater recharge. The screening method is based on an analytical solution for the damping of sinusoidal infiltration variations in homogeneous soils in the vadose zone. The damping depth is defined as the depth at which the flux variation damps to 5% of the variation at the land surface. Groundwater recharge may be considered steady where the damping depth is above the depth of the water table. The analytical solution approximates the vadose zone diffusivity as constant, and we evaluated when this approximation is reasonable. We evaluated the analytical solution through comparison of the damping depth computed by the analytic solution with the damping depth simulated by a numerical model that allows variable diffusivity. This comparison showed that the screening method conservatively identifies areas of steady recharge and is more accurate when water content and diffusivity are nearly constant. Nomograms of the damping factor (the ratio of the flux amplitude at any depth to the amplitude at the land surface) and the damping depth were constructed for clay and sand for periodic variations between 1 and 365 d and flux means and amplitudes from nearly 0 to 1 × 10−3 m d−1. We applied the screening tool to Central Valley, California, to identify areas of steady recharge. A MATLAB script was developed to compute the damping factor for any soil and any sinusoidal flux variation.

Time-dependent simulation of oblique MHD cosmic-ray shocks using the two-fluid model

NASA Technical Reports Server (NTRS)

Frank, Adam; Jones, T. W.; Ryu, Dongsu

1995-01-01

Using a new, second-order accurate numerical method we present dynamical simulations of oblique MHD cosmic-ray (CR)-modified plane shock evolution. Most of the calculations are done with a two-fluid model for diffusive shock acceleration, but we provide also comparisons between a typical shock computed that way against calculations carried out using the more complete, momentum-dependent, diffusion-advection equation. We also illustrate a test showing that these simulations evolve to dynamical equilibria consistent with previously published steady state analytic calculations for such shocks. In order to improve understanding of the dynamical role of magnetic fields in shocks modified by CR pressure we have explored for time asymptotic states the parameter space of upstream fast mode Mach number, M(sub f), and plasma beta. We compile the results into maps of dynamical steady state CR acceleration efficiency, epsilon(sub c). We have run simulations using constant, and nonisotropic, obliquity (and hence spatially) dependent forms of the diffusion coefficient kappa. Comparison of the results shows that while the final steady states achieved are the same in each case, the history of CR-MHD shocks can be strongly modified by variations in kappa and, therefore, in the acceleration timescale. Also, the coupling of CR and MHD in low beta, oblique shocks substantially influences the transient density spike that forms in strongly CR-modified shocks. We find that inside the density spike a MHD slow mode wave can be generated that eventually steepens into a shock. A strong layer develops within the density spike, driven by MHD stresses. We conjecture that currents in the shear layer could, in nonplanar flows, results in enhanced particle accretion through drift acceleration.

Study of Solid-State Diffusion of Bi in Polycrystalline Sn Using Electron Probe Microanalysis

NASA Astrophysics Data System (ADS)

Delhaise, André M.; Perovic, Doug D.

2018-03-01

Current lead-free solders such as SAC305 exhibit degradation in microstructure, properties, and reliability. Current third-generation alloys containing bismuth (Bi) demonstrate preservation of strength after aging; this is accompanied by homogenization of the Bi precipitates in the tin (Sn) matrix, driven via solid-state diffusion. This study quantifies the diffusion of Bi in Sn. Diffusion couples were prepared by mating together polished samples of pure Sn and Bi. Couples were annealed at one of three temperatures, viz. 85°C for 7 days, 100°C for 2 days, or 125°C for 1 day. After cross-sectioning the couples to examine the diffusion microstructure and grain size, elemental analysis was performed using electron probe microanalysis. For this study, it was assumed that the diffusivity of Bi in Sn is concentration dependent, therefore inverse methods were used to solve Fick's non-steady-state diffusion equation. In addition, Darken analysis was used to extract the impurity diffusivity of Bi in Sn at each temperature, allowing estimation of the Arrhenius parameters D 0 and k A.

Non steady-state descriptions of drug permeation through stratum corneum. I. The biphasic brick-and-mortar model.

PubMed

Heisig, M; Lieckfeldt, R; Wittum, G; Mazurkevich, G; Lee, G

1996-03-01

The diffusion equation should be solved for the non-steady-state problem of drug diffusion within a two-dimensional, biphasic stratum corneum membrane having homogeneous lipid and corneocyte phases. A numerical method was developed for a brick-and-mortar SC-geometry, enabling an explicit solution for time-dependent drug concentration within both phases. The lag time and permeability were calculated. It is shown how the barrier property of this model membrane depends on relative phase permeability, corneocyte alignment, and corneocyte-lipid partition coefficient. Additionally, the time-dependent drug concentration profiles within the membrane can be observed during the lag and steady-state phases. The model SC-membrane predicts, from purely morphological principles, lag times and permeabilities that are in good agreement with experimental values. The long lag times and very small permeabilities reported for human SC can only be predicted for a highly-staggered corneocyte geometry and corneocytes that are 1000 times less permeable than the lipid phase. Although the former conclusion is reasonable, the latter is questionable. The elongated, flattened corneocyte shape renders lag time and permeability insensitive to large changes in their alignment within the SC. Corneocyte/lipid partitioning is found to be fundamentally different to SC/donor partitioning, since increasing drug lipophilicity always reduces both lag time and permeability.

Rate kernel theory for pseudo-first-order kinetics of diffusion-influenced reactions and application to fluorescence quenching kinetics.

PubMed

Yang, Mino

2007-06-07

Theoretical foundation of rate kernel equation approaches for diffusion-influenced chemical reactions is presented and applied to explain the kinetics of fluorescence quenching reactions. A many-body master equation is constructed by introducing stochastic terms, which characterize the rates of chemical reactions, into the many-body Smoluchowski equation. A Langevin-type of memory equation for the density fields of reactants evolving under the influence of time-independent perturbation is derived. This equation should be useful in predicting the time evolution of reactant concentrations approaching the steady state attained by the perturbation as well as the steady-state concentrations. The dynamics of fluctuation occurring in equilibrium state can be predicted by the memory equation by turning the perturbation off and consequently may be useful in obtaining the linear response to a time-dependent perturbation. It is found that unimolecular decay processes including the time-independent perturbation can be incorporated into bimolecular reaction kinetics as a Laplace transform variable. As a result, a theory for bimolecular reactions along with the unimolecular process turned off is sufficient to predict overall reaction kinetics including the effects of unimolecular reactions and perturbation. As the present formulation is applied to steady-state kinetics of fluorescence quenching reactions, the exact relation between fluorophore concentrations and the intensity of excitation light is derived.

Concentration dependency in nicotine skin penetration flux from aqueous solutions reflects vehicle induced changes in nicotine stratum corneum retention.

PubMed

Kuswahyuning, Rina; Roberts, Michael S

2014-06-01

This study sought to understand the mechanism by which the steady state flux of nicotine across the human skin from aqueous solutions is markedly decreased at higher nicotine concentrations. Nicotine's steady state flux through human epidermis and its amount in the stratum corneum for a range of aqueous nicotine solutions was determined using Franz diffusion cells, with the nicotine analysed by high performance liquid chromatography (HPLC). Nicotine's thermodynamic activity in the various solutions was estimated from its partial vapour pressure and stratum corneum hydration was determined using a corneometer. The amount of nicotine retained in the stratum corneum was estimated from the nicotine amount found in individual stratum corneum tape strips and a D-Squame determined weight for each strip. The observed steady state flux of nicotine across human epidermis was found to show a parabolic dependence on nicotine concentration, with the flux proportional to its thermodynamic activity up to a concentration of 48% w/w. The nicotine retention in the stratum corneum showed a similar dependency on concentration whereas the diffusivity of nicotine in the stratum corneum appeared to be concentration independent. This retention, in turn, could be estimated from the extent of stratum corneum hydration and the nicotine concentration in the applied solution and volume of water in the skin. Nonlinear dependency of nicotine skin flux on its concentration results from a dehydration induced decrease in its stratum corneum retention at higher concentration and not dehydration induced changes nicotine diffusivity in the stratum corneum.

Three-dimensional doubly diffusive convectons: instability and transition to complex dynamics

NASA Astrophysics Data System (ADS)

Knobloch, Edgar; Beaume, Cedric; Bergeon, Alain

2017-11-01

Doubly diffusive convection in a closed vertically extended 3D container driven by competing horizontal temperature and concentration gradients is studied. No-slip boundary conditions are imposed. The buoyancy number N = - 1 to ensure the presence of a conduction state. The primary instability is subcritical and generates two families of spatially localised steady states known as convectons. The convectons bifurcate directly from the conduction state and are organized in a pair of primary branches that snake within a well-defined range of Rayleigh numbers as the convectons grow in length. Secondary instabilities generating twist result in secondary snaking branches of twisted convectons. These destabilize the primary convectons and are responsible for the absence of stable steady states, localized or otherwise, in the subcritical regime. As a result, once the Rayleigh number for the primary instability of the conduction state is exceeded, the system exhibits an abrupt transition to large amplitude spatio-temporal chaos that arises whenever the twist instability leading to collapse is faster than the nucleation time for new rolls. These numerical results are confirmed by determining the stability properties of all convecton states as well as spatially extended convection. Supported in part by the National Science Foundation under Grant DMS-1613132.

Interface- and discontinuity-aware numerical schemes for plasma 3-T radiation diffusion in two and three dimensions

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

Dai, William W., E-mail: dai@lanl.gov; Scannapieco, Anthony J.

2015-11-01

A set of numerical schemes is developed for two- and three-dimensional time-dependent 3-T radiation diffusion equations in systems involving multi-materials. To resolve sub-cell structure, interface reconstruction is implemented within any cell that has more than one material. Therefore, the system of 3-T radiation diffusion equations is solved on two- and three-dimensional polyhedral meshes. The focus of the development is on the fully coupling between radiation and material, the treatment of nonlinearity in the equations, i.e., in the diffusion terms and source terms, treatment of the discontinuity across cell interfaces in material properties, the formulations for both transient and steady states,more » the property for large time steps, and second order accuracy in both space and time. The discontinuity of material properties between different materials is correctly treated based on the governing physics principle for general polyhedral meshes and full nonlinearity. The treatment is exact for arbitrarily strong discontinuity. The scheme is fully nonlinear for the full nonlinearity in the 3-T diffusion equations. Three temperatures are fully coupled and are updated simultaneously. The scheme is general in two and three dimensions on general polyhedral meshes. The features of the scheme are demonstrated through numerical examples for transient problems and steady states. The effects of some simplifications of numerical schemes are also shown through numerical examples, such as linearization, simple average of diffusion coefficient, and approximate treatment for the coupling between radiation and material.« less

Global solutions to a class of multi-species reaction-diffusion systems with cross-diffusions arising in population dynamics

NASA Astrophysics Data System (ADS)

Wen, Zijuan; Fu, Shengmao

2009-08-01

In this paper, an n-species strongly coupled cooperating diffusive system is considered in a bounded smooth domain, subject to homogeneous Neumann boundary conditions. Employing the method of energy estimates, we obtain some conditions on the diffusion matrix and inter-specific cooperatives to ensure the global existence and uniform boundedness of a nonnegative solution. The globally asymptotical stability of the constant positive steady state is also discussed. As a consequence, all the results hold true for multi-species Lotka-Volterra type competition model and prey-predator model.

Generalized Hydrodynamic Treatment of the Interplay between Restricted Transport and Catalytic Reactions in Nanoporous Materials

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

Ackerman, David M.; Wang, Jing; Evans, James W.

2012-05-30

Behavior of catalytic reactions in narrow pores is controlled by a delicate interplay between fluctuations in adsorption-desorption at pore openings, restricted diffusion, and reaction. This behavior is captured by a generalized hydrodynamic formulation of appropriate reaction-diffusion equations (RDE). These RDE incorporate an unconventional description of chemical diffusion in mixed-component quasi-single-file systems based on a refined picture of tracer diffusion for finite-length pores. The RDE elucidate the nonexponential decay of the steady-state reactant concentration into the pore and the non-mean-field scaling of the reactant penetration depth.

Generalized hydrodynamic treatment of the interplay between restricted transport and catalytic reactions in nanoporous materials.

PubMed

Ackerman, David M; Wang, Jing; Evans, James W

2012-06-01

Behavior of catalytic reactions in narrow pores is controlled by a delicate interplay between fluctuations in adsorption-desorption at pore openings, restricted diffusion, and reaction. This behavior is captured by a generalized hydrodynamic formulation of appropriate reaction-diffusion equations (RDE). These RDE incorporate an unconventional description of chemical diffusion in mixed-component quasi-single-file systems based on a refined picture of tracer diffusion for finite-length pores. The RDE elucidate the nonexponential decay of the steady-state reactant concentration into the pore and the non-mean-field scaling of the reactant penetration depth.

Diffusion across the modified polyethylene separator GX in the heat-sterilizable AgO-Zn battery

NASA Technical Reports Server (NTRS)

Lutwack, R.

1973-01-01

Models of diffusion across an inert membrane have been studied using the computer program CINDA. The models were constructed to simulate various conditions obtained in the consideration of the diffusion of Ag (OH)2 ions in the AgO-Zn battery. The effects on concentrations across the membrane at the steady state and on the fluxout as a function of time were used to examine the consequences of stepwise reducing the number of sources of ions, of stepwise blocking the source and sink surfaces, of varying the magnitude of the diffusion coefficient for a uniform membrane, of varying the diffusion coefficient across the membrane, and of excluding volumes to diffusion.

Angiogenic Signaling in Living Breast Tumor Models

DTIC Science & Technology

2006-06-01

SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT 18. NUMBER OF PAGES 19a. NAME OF RESPONSIBLE PERSON USAMRMC a. REPORT U b. ABSTRACT U c ...convection versus diffusion in transport out of a tumor vessel during steady state conditions. C . Determine relative contribution of convection...on the results of the diffusion/convection measurements. Consequently, implicit in Tasks 1b and c (the use of MPFRAP in vivo) is the establishment

Basis adaptation and domain decomposition for steady-state partial differential equations with random coefficients

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

Tipireddy, R.; Stinis, P.; Tartakovsky, A. M.

We present a novel approach for solving steady-state stochastic partial differential equations (PDEs) with high-dimensional random parameter space. The proposed approach combines spatial domain decomposition with basis adaptation for each subdomain. The basis adaptation is used to address the curse of dimensionality by constructing an accurate low-dimensional representation of the stochastic PDE solution (probability density function and/or its leading statistical moments) in each subdomain. Restricting the basis adaptation to a specific subdomain affords finding a locally accurate solution. Then, the solutions from all of the subdomains are stitched together to provide a global solution. We support our construction with numericalmore » experiments for a steady-state diffusion equation with a random spatially dependent coefficient. Our results show that highly accurate global solutions can be obtained with significantly reduced computational costs.« less

Steady state, relaxation and first-passage properties of a run-and-tumble particle in one-dimension

NASA Astrophysics Data System (ADS)

Malakar, Kanaya; Jemseena, V.; Kundu, Anupam; Vijay Kumar, K.; Sabhapandit, Sanjib; Majumdar, Satya N.; Redner, S.; Dhar, Abhishek

2018-04-01

We investigate the motion of a run-and-tumble particle (RTP) in one dimension. We find the exact probability distribution of the particle with and without diffusion on the infinite line, as well as in a finite interval. In the infinite domain, this probability distribution approaches a Gaussian form in the long-time limit, as in the case of a regular Brownian particle. At intermediate times, this distribution exhibits unexpected multi-modal forms. In a finite domain, the probability distribution reaches a steady-state form with peaks at the boundaries, in contrast to a Brownian particle. We also study the relaxation to the steady-state analytically. Finally we compute the survival probability of the RTP in a semi-infinite domain with an absorbing boundary condition at the origin. In the finite interval, we compute the exit probability and the associated exit times. We provide numerical verification of our analytical results.

Tritium permeation model for plasma facing components

NASA Astrophysics Data System (ADS)

Longhurst, G. R.

1992-12-01

This report documents the development of a simplified one-dimensional tritium permeation and retention model. The model makes use of the same physical mechanisms as more sophisticated, time-transient codes such as implantation, recombination, diffusion, trapping and thermal gradient effects. It takes advantage of a number of simplifications and approximations to solve the steady-state problem and then provides interpolating functions to make estimates of intermediate states based on the steady-state solution. The model is developed for solution using commercial spread-sheet software such as Lotus 123. Comparison calculations are provided with the verified and validated TMAP4 transient code with good agreement. Results of calculations for the ITER CDA diverter are also included.

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.

On the nature of liquid junction and membrane potentials.

PubMed

Perram, John W; Stiles, Peter J

2006-09-28

Whenever a spatially inhomogeneous electrolyte, composed of ions with different mobilities, is allowed to diffuse, charge separation and an electric potential difference is created. Such potential differences across very thin membranes (e.g. biomembranes) are often interpreted using the steady state Goldman equation, which is usually derived by assuming a spatially constant electric field. Through the fundamental Poisson equation of electrostatics, this implies the absence of free charge density that must provide the source of any such field. A similarly paradoxical situation is encountered for thick membranes (e.g. in ion-selective electrodes) for which the diffusion potential is normally interpreted using the Henderson equation. Standard derivations of the Henderson equation appeal to local electroneutrality, which is also incompatible with sources of electric fields, as these require separated charges. We analyse self-consistent solutions of the Nernst-Planck-Poisson equations for a 1 : 1-univalent electrolyte to show that the Goldman and Henderson steady-state membrane potentials are artefacts of extraneous charges created in the reservoirs of electrolyte solution on either side of the membrane, due to the unphysical nature of the usual (Dirichlet) boundary conditions assumed to apply at the membrane-electrolyte interfaces. We also show, with the aid of numerical simulations, that a transient electric potential difference develops in any confined, but initially non-uniform, electrolyte solution. This potential difference ultimately decays to zero in the real steady state of the electrolyte, which corresponds to thermodynamic equilibrium. We explain the surprising fact that such transient potential differences are well described by the Henderson equation by using a computer algebra system to extend previous steady-state singular perturbation theories to the time-dependent case. Our work therefore accounts for the success of the Henderson equation in analysing experimental liquid-junction potentials.

Self diffusion of interacting membrane proteins.

PubMed Central

Abney, J R; Scalettar, B A; Owicki, J C

1989-01-01

A two-dimensional version of the generalized Smoluchowski equation is used to analyze the time (or distance) dependent self diffusion of interacting membrane proteins in concentrated membrane systems. This equation provides a well established starting point for descriptions of the diffusion of particles that interact through both direct and hydrodynamic forces; in this initial work only the effects of direct interactions are explicitly considered. Data describing diffusion in the presence of hard-core repulsions, soft repulsions, and soft repulsions with weak attractions are presented. The effect that interactions have on the self-diffusion coefficient of a real protein molecule from mouse liver gap junctions is also calculated. The results indicate that self diffusion is always inhibited by direct interactions; this observation is interpreted in terms of the caging that will exist at finite protein concentration. It is also noted that, over small distance scales, the diffusion coefficient is determined entirely by the very strong Brownian forces; therefore, as a function of displacement the self-diffusion coefficient decays (rapidly) from its value at infinite dilution to its steady-state interaction-averaged value. The steady-state self-diffusion coefficient describes motion over distance scales that range from approximately 10 nm to cellular dimensions and is the quantity measured in fluorescence recovery after photobleaching experiments. The short-ranged behavior of the diffusion coefficient is important on the interparticle-distance scale and may therefore influence the rate at which nearest-neighbor collisional processes take place. The hard-disk theoretical results presented here are in excellent agreement with lattice Monte-Carlo results obtained by other workers. The concentration dependence of experimentally measured diffusion coefficients of antibody-hapten complexes bound to the membrane surface is consistent with that predicted by the theory. The variation in experimental diffusion coefficients of integral membrane proteins is greater than that predicted by the theory, and may also reflect protein-induced perturbations in membrane viscosity. PMID:2720077

A Hybrid Model for Multiscale Laser Plasma Simulations with Detailed Collisional Physics

DTIC Science & Technology

2017-06-15

Validation against experimental data •Nonequilibrium radiation transport: coupling with a collisional-radiative model •Inelastic collisions in a MF...for Public Release; Distribution is Unlimited. PA# 17383 Collisional Radiative (CR) Overview Updates • Investigated Quasi -Steady-State • Investigated...Techniques Quasi Stead-State (QSS) • Assumes fast kinetics between states within an ion distribution • Assumes longer diffusion/decay times than

Phantom Preparation and Optical Property Determination

NASA Astrophysics Data System (ADS)

He, Di; He, Jie; Mao, Heng

2018-12-01

Tissue-like optical phantoms are important in testing new imaging algorithms. Homogeneous optical phantoms with determined optical properties are the first step of making a proper heterogeneous phantom for multi-modality imaging. Typical recipes for such phantoms consist of epoxy resin, hardener, India ink and titanium oxide. By altering the concentration of India ink and titanium oxide, we are able to get multiple homogeneous phantoms with different absorption and scattering coefficients by carefully mixing all the ingredients. After fabricating the phantoms, we need to find their individual optical properties including the absorption and scattering coefficients. This is achieved by solving diffusion equation of each phantom as a homogeneous slab under canonical illumination. We solve the diffusion equation of homogeneous slab in frequency domain and get the formula for theoretical measurements. Under our steady-state diffused optical tomography (DOT) imaging system, we are able to obtain the real distribution of the incident light produced by a laser. With this source distribution we got and the formula we derived, numerical experiments show how measurements change while varying the value of absorption and scattering coefficients. Then we notice that the measurements alone will not be enough for us to get unique optical properties for steady-state DOT problem. Thus in order to determine the optical properties of a homogeneous slab we want to fix one of the coefficients first and use optimization methods to find another one. Then by assemble multiple homogeneous slab phantoms with different optical properties, we are able to obtain a heterogeneous phantom suitable for testing multi-modality imaging algorithms. In this paper, we describe how to make phantoms, derive a formula to solve the diffusion equation, demonstrate the non-uniqueness of steady-state DOT problem by analysing some numerical results of our formula, and finally propose a possible way to determine optical properties for homogeneous slab for our future work.

Protection zone in a diffusive predator-prey model with Beddington-DeAngelis functional response.

PubMed

He, Xiao; Zheng, Sining

2017-07-01

In any reaction-diffusion system of predator-prey models, the population densities of species are determined by the interactions between them, together with the influences from the spatial environments surrounding them. Generally, the prey species would die out when their birth rate is too low, the habitat size is too small, the predator grows too fast, or the predation pressure is too high. To save the endangered prey species, some human interference is useful, such as creating a protection zone where the prey could cross the boundary freely but the predator is prohibited from entering. This paper studies the existence of positive steady states to a predator-prey model with reaction-diffusion terms, Beddington-DeAngelis type functional response and non-flux boundary conditions. It is shown that there is a threshold value [Formula: see text] which characterizes the refuge ability of prey such that the positivity of prey population can be ensured if either the prey's birth rate satisfies [Formula: see text] (no matter how large the predator's growth rate is) or the predator's growth rate satisfies [Formula: see text], while a protection zone [Formula: see text] is necessary for such positive solutions if [Formula: see text] with [Formula: see text] properly large. The more interesting finding is that there is another threshold value [Formula: see text], such that the positive solutions do exist for all [Formula: see text]. Letting [Formula: see text], we get the third threshold value [Formula: see text] such that if [Formula: see text], prey species could survive no matter how large the predator's growth rate is. In addition, we get the fourth threshold value [Formula: see text] for negative [Formula: see text] such that the system admits positive steady states if and only if [Formula: see text]. All these results match well with the mechanistic derivation for the B-D type functional response recently given by Geritz and Gyllenberg (J Theoret Biol 314:106-108, 2012). Finally, we obtain the uniqueness of positive steady states for [Formula: see text] properly large, as well as the asymptotic behavior of the unique positive steady state as [Formula: see text].

Comparison of Steady State Evaporation Models for Toxic Chemical Spills: Development of a New Evaporation Model

DTIC Science & Technology

1989-11-29

for diffusivity based on theory : DVab- 0.002e6 703/2 eS/s(bPM11 t/ ,cm/s (28) ab ab 1) where DV-b a molecular diffusion coefflcient of chemical a In...24 Ugt W m -K (48)S[(/hg) + (1/h)] m- K- where ha is the coefficient of heat conduction through the ground, and hl is the liquid heat transfer

Spatial pattern dynamics due to the fitness gradient flux in evolutionary games.

PubMed

deForest, Russ; Belmonte, Andrew

2013-06-01

We introduce a nondiffusive spatial coupling term into the replicator equation of evolutionary game theory. The spatial flux is based on motion due to local gradients in the relative fitness of each strategy, providing a game-dependent alternative to diffusive coupling. We study numerically the development of patterns in one dimension (1D) for two-strategy games including the coordination game and the prisoner's dilemma, and in two dimensions (2D) for the rock-paper-scissors game. In 1D we observe modified traveling wave solutions in the presence of diffusion, and asymptotic attracting states under a frozen-strategy assumption without diffusion. In 2D we observe spiral formation and breakup in the frozen-strategy rock-paper-scissors game without diffusion. A change of variables appropriate to replicator dynamics is shown to correctly capture the 1D asymptotic steady state via a nonlinear diffusion equation.

Spatial pattern dynamics due to the fitness gradient flux in evolutionary games

NASA Astrophysics Data System (ADS)

deForest, Russ; Belmonte, Andrew

2013-06-01

We introduce a nondiffusive spatial coupling term into the replicator equation of evolutionary game theory. The spatial flux is based on motion due to local gradients in the relative fitness of each strategy, providing a game-dependent alternative to diffusive coupling. We study numerically the development of patterns in one dimension (1D) for two-strategy games including the coordination game and the prisoner's dilemma, and in two dimensions (2D) for the rock-paper-scissors game. In 1D we observe modified traveling wave solutions in the presence of diffusion, and asymptotic attracting states under a frozen-strategy assumption without diffusion. In 2D we observe spiral formation and breakup in the frozen-strategy rock-paper-scissors game without diffusion. A change of variables appropriate to replicator dynamics is shown to correctly capture the 1D asymptotic steady state via a nonlinear diffusion equation.

Frequency bandwidth limitation of external pulse electric fields in cylindrical micro-channel electrophoresis with analyte velocity modulation.

PubMed

Wang, Shau-Chun; Chen, Hsiao-Ping; Lee, Chia-Yu; Yeo, Leslie Y

2005-04-15

In capillary electrophoresis, effective optical signal quality improvement is obtained when high frequency (>100 Hz) external pulse fields modulate analyte velocities with synchronous lock-in detection. However, the pulse frequency is constrained under a critical value corresponding to the time required for the bulk viscous flow, which arises due to viscous momentum diffusion from the electro-osmotic slip in the Debye layer, to reach steady-state. By solving the momentum diffusion equation for transient bulk flow in the micro-channel, we show that this set-in time to steady-state and hence, the upper limit for the pulse frequency is dependent on the characteristic diffusion length scale and therefore the channel geometry; for cylindrical capillaries, the set-in time is approximately one half of that for rectangular slot channels. From our estimation of the set-in time and hence the upper frequency modulation limit, we propose that the half width of planar channels does not exceed 100 microm and that the radii of cylindrical channels be limited to 140 microm such that there is a finite working bandwidth range above 100 Hz and below the upper limit in order for flicker noise to be effectively suppressed.

Adsorption and biodegradation of 2-chlorophenol by mixed culture using activated carbon as a supporting medium-reactor performance and model verification

NASA Astrophysics Data System (ADS)

Lin, Yen-Hui

2017-11-01

A non-steady-state mathematical model system for the kinetics of adsorption and biodegradation of 2-chlorophenol (2-CP) by attached and suspended biomass on activated carbon process was derived. The mechanisms in the model system included 2-CP adsorption by activated carbon, 2-CP mass transport diffusion in biofilm, and biodegradation by attached and suspended biomass. Batch kinetic tests were performed to determine surface diffusivity of 2-CP, adsorption parameters for 2-CP, and biokinetic parameters of biomass. Experiments were conducted using a biological activated carbon (BAC) reactor system with high recycled rate to approximate a completely mixed flow reactor for model verification. Concentration profiles of 2-CP by model predictions indicated that biofilm bioregenerated the activated carbon by lowering the 2-CP concentration at the biofilm-activated carbon interface as the biofilm grew thicker. The removal efficiency of 2-CP by biomass was approximately 98.5% when 2-CP concentration in the influent was around 190.5 mg L-1 at a steady-state condition. The concentration of suspended biomass reached up to about 25.3 mg L-1 while the thickness of attached biomass was estimated to be 636 μm at a steady-state condition by model prediction. The experimental results agree closely with the results of the model predictions.

Two tandem queues with general renewal input. 2: Asymptotic expansions for the diffusion model

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

Knessl, C.; Tier, C.

1999-10-01

In Part 1 the authors formulated and solved a diffusion model for two tandem queues with exponential servers and general renewal arrivals. They thus obtained the easy traffic diffusion approximation to the steady state joint queue length distribution for this network. Here they study asymptotic and numerical properties of the diffusion approximation. In particular, analytical expressions are obtained for the tail probabilities. Both the joint distribution of the two queues and the marginal distribution of the second queue are considered. They also give numerical illustrations of how this marginal is affected by changes in the arrival and service processes.

MODELING SUBSTRATE TRANSPORT INTO BIOFILMS: ROLE OF MULTIPLE IONS AND PH EFFECTS

EPA Science Inventory

Steady-state substrate utilization in biofilms has traditionally been modeled by coupling Fickian diffusion with Monod reaction kinetics. An inherent assumption in most of the previous models was that the pH remains constant within the biofilm. Experiments have shown differences ...

Simultaneous specimen current and time-dependent cathodoluminescence measurements on gallium nitride

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

Campo, E. M., E-mail: e.campo@bangor.ac.uk; Hopkins, L.; Pophristic, M.

2016-06-28

Time-dependent cathodoluminescence (CL) and specimen current (SC) are monitored to evaluate trapping behavior and evolution of charge storage. Examination of CL and SC suggests that the near band edge emission in GaN is reduced primarily by the activation of traps upon irradiation, and Gallium vacancies are prime candidates. At the steady state, measurement of the stored charge by empiric-analytical methods suggests that all available traps within the interaction volume have been filled, and that additional charge is being stored interstitially, necessarily beyond the interaction volume. Once established, the space charge region is responsible for the steady state CL emission and,more » prior to build up, it is responsible for the generation of diffusion currents. Since the non-recombination effects resulting from diffusion currents that develop early on are analogous to those leading to device failure upon aging, this study is fundamental toward a holistic insight into optical properties in GaN.« less

Can Disorder Enhance Incoherent Exciton Diffusion?

PubMed

Lee, Elizabeth M Y; Tisdale, William A; Willard, Adam P

2015-07-30

Recent experiments aimed at probing the dynamics of excitons have revealed that semiconducting films composed of disordered molecular subunits, unlike expectations for their perfectly ordered counterparts, can exhibit a time-dependent diffusivity in which the effective early time diffusion constant is larger than that of the steady state. This observation has led to speculation about what role, if any, microscopic disorder may play in enhancing exciton transport properties. In this article, we present the results of a model study aimed at addressing this point. Specifically, we introduce a general model, based upon Förster theory, for incoherent exciton diffusion in a material composed of independent molecular subunits with static energetic disorder. Energetic disorder leads to heterogeneity in molecule-to-molecule transition rates, which we demonstrate has two important consequences related to exciton transport. First, the distribution of local site-specific hopping rates is broadened in a manner that results in a decrease in average exciton diffusivity relative to that in a perfectly ordered film. Second, since excitons prefer to make transitions that are downhill in energy, the steady state distribution of exciton energies is biased toward low-energy molecular subunits, those that exhibit reduced diffusivity relative to a perfectly ordered film. These effects combine to reduce the net diffusivity in a manner that is time dependent and grows more pronounced as disorder is increased. Notably, however, we demonstrate that the presence of energetic disorder can give rise to a population of molecular subunits with exciton transfer rates exceeding those of subunits in an energetically uniform material. Such enhancements may play an important role in processes that are sensitive to molecular-scale fluctuations in exciton density field.

Lithium diffusion in polyether ether ketone and polyimide stimulated by in situ electron irradiation and studied by the neutron depth profiling method

NASA Astrophysics Data System (ADS)

Vacik, J.; Hnatowicz, V.; Attar, F. M. D.; Mathakari, N. L.; Dahiwale, S. S.; Dhole, S. D.; Bhoraskar, V. N.

2014-10-01

Diffusion of lithium from a LiCl aqueous solution into polyether ether ketone (PEEK) and polyimide (PI) assisted by in situ irradiation with 6.5 MeV electrons was studied by the neutron depth profiling method. The number of the Li atoms was found to be roughly proportional to the diffusion time. Regardless of the diffusion time, the measured depth profiles in PEEK exhibit a nearly exponential form, indicating achievement of a steady-state phase of a diffusion-reaction process specified in the text. The form of the profiles in PI is more complex and it depends strongly on the diffusion time. For the longer diffusion time, the profile consists of near-surface bell-shaped part due to Fickian-like diffusion and deeper exponential part.

In situ study of emerging metallicity on ion-bombarded SrTiO3 surface

NASA Astrophysics Data System (ADS)

Gross, Heiko; Bansal, Namrata; Kim, Yong-Seung; Oh, Seongshik

2011-10-01

We report how argon bombardment induces metallic states on the surface of insulating SrTiO3 at different temperatures by combining in situ conductance measurements and model calculations. At cryogenic temperatures, ionic bombardment created a thin-but much thicker than the argon-penetration depth-steady-state oxygen-vacant layer, leading to a highly-concentric metallic state. Near room temperatures, however, significant thermal diffusion occurred and the metallic state continuously diffused into the bulk, leaving only low concentration of electron carriers on the surface. Analysis of the discrepancy between the experiments and the models also provided evidence for vacancy clustering, which seems to occur during any vacancy formation process and affects the observed conductance.

Stability and Hopf Bifurcation in a Reaction-Diffusion Model with Chemotaxis and Nonlocal Delay Effect

NASA Astrophysics Data System (ADS)

Li, Dong; Guo, Shangjiang

Chemotaxis is an observed phenomenon in which a biological individual moves preferentially toward a relatively high concentration, which is contrary to the process of natural diffusion. In this paper, we study a reaction-diffusion model with chemotaxis and nonlocal delay effect under Dirichlet boundary condition by using Lyapunov-Schmidt reduction and the implicit function theorem. The existence, multiplicity, stability and Hopf bifurcation of spatially nonhomogeneous steady state solutions are investigated. Moreover, our results are illustrated by an application to the model with a logistic source, homogeneous kernel and one-dimensional spatial domain.

Importance sampling large deviations in nonequilibrium steady states. I.

PubMed

Ray, Ushnish; Chan, Garnet Kin-Lic; Limmer, David T

2018-03-28

Large deviation functions contain information on the stability and response of systems driven into nonequilibrium steady states and in such a way are similar to free energies for systems at equilibrium. As with equilibrium free energies, evaluating large deviation functions numerically for all but the simplest systems is difficult because by construction they depend on exponentially rare events. In this first paper of a series, we evaluate different trajectory-based sampling methods capable of computing large deviation functions of time integrated observables within nonequilibrium steady states. We illustrate some convergence criteria and best practices using a number of different models, including a biased Brownian walker, a driven lattice gas, and a model of self-assembly. We show how two popular methods for sampling trajectory ensembles, transition path sampling and diffusion Monte Carlo, suffer from exponentially diverging correlations in trajectory space as a function of the bias parameter when estimating large deviation functions. Improving the efficiencies of these algorithms requires introducing guiding functions for the trajectories.

Fluorescence measurements of activity associated with a molecularly imprinted polymer imprinted to dipicolinic acid

NASA Astrophysics Data System (ADS)

Anderson, John; Pestov, Dmitry; Fischer, Robert L.; Webb, Stanley; Tepper, Gary C.

2004-03-01

Steady state and lifetime fluorescence measurements were acquired to measure the binding activity associated with molecularly imprinted polymer (MIP) microparticles imprinted to dipicolinic acid. Dipicolinic acid is a unique compound associated with the sporulation phase of spore-forming bacteria (e.g., genus Bacillus and Clostridium). Vinylic monomers were polymerized in a dimethylformamide solution containing the dipicolinic acid as a template. The resulting MIP was then pulverized and size selected into small microscale particles. Samplers were adapted incorporating the MIP particles within a dialyzer (500 MW). Tests were run on replicate samples of biologically active cultures representing both stationary phase and sporulation post fermentation products in standard media. The permeability of the membrane permitted diffusion of lighter molecular weight constituents from media effluents to enter the dialyzer chamber and contact the MIP. Extractions of the media were measured using steady state and lifetime fluorescence. Results showed dramatic steady state fluorescence changes as a function of excitation, emission and intensity and an estimated lifetime of 5.8 ns.

Importance sampling large deviations in nonequilibrium steady states. I

NASA Astrophysics Data System (ADS)

Ray, Ushnish; Chan, Garnet Kin-Lic; Limmer, David T.

2018-03-01

Large deviation functions contain information on the stability and response of systems driven into nonequilibrium steady states and in such a way are similar to free energies for systems at equilibrium. As with equilibrium free energies, evaluating large deviation functions numerically for all but the simplest systems is difficult because by construction they depend on exponentially rare events. In this first paper of a series, we evaluate different trajectory-based sampling methods capable of computing large deviation functions of time integrated observables within nonequilibrium steady states. We illustrate some convergence criteria and best practices using a number of different models, including a biased Brownian walker, a driven lattice gas, and a model of self-assembly. We show how two popular methods for sampling trajectory ensembles, transition path sampling and diffusion Monte Carlo, suffer from exponentially diverging correlations in trajectory space as a function of the bias parameter when estimating large deviation functions. Improving the efficiencies of these algorithms requires introducing guiding functions for the trajectories.

Detonation propagation in annular arcs of condensed phase explosives

NASA Astrophysics Data System (ADS)

Ioannou, Eleftherios; Schoch, Stefan; Nikiforakis, Nikolaos; Michael, Louisa

2017-11-01

We present a numerical study of detonation propagation in unconfined explosive charges shaped as an annular arc (rib). Steady detonation in a straight charge propagates at constant speed, but when it enters an annular section, it goes through a transition phase and eventually reaches a new steady state of constant angular velocity. This study examines the speed of the detonation wave along the annular charge during the transition phase and at steady state, as well as its dependence on the dimensions of the annulus. The system is modeled using a recently proposed diffuse-interface formulation which allows for the representation of a two-phase explosive and of an additional inert material. The explosive considered is the polymer-bonded TATB-based LX-17 and is modeled using two Jones-Wilkins-Lee (JWL) equations of state and the ignition and growth reaction rate law. Results show that steady state speeds are in good agreement with experiment. In the transition phase, the evolution of outer detonation speed deviates from the exponential bounded growth function suggested by previous studies. We propose a new description of the transition phase which consists of two regimes. The first regime is caused by local effects at the outer edge of the annulus and leads to a dependence of the outer detonation speed on the angular position along the arc. The second regime is induced by effects originating from the inner edge of the annular charge and leads to the deceleration of the outer detonation until steady state is reached. The study concludes with a parametric study where the dependence of the steady state and the transition phase on the dimensions of the annulus is investigated.

Modeling of photon migration in the human lung using a finite volume solver

NASA Astrophysics Data System (ADS)

Sikorski, Zbigniew; Furmanczyk, Michal; Przekwas, Andrzej J.

2006-02-01

The application of the frequency domain and steady-state diffusive optical spectroscopy (DOS) and steady-state near infrared spectroscopy (NIRS) to diagnosis of the human lung injury challenges many elements of these techniques. These include the DOS/NIRS instrument performance and accurate models of light transport in heterogeneous thorax tissue. The thorax tissue not only consists of different media (e.g. chest wall with ribs, lungs) but its optical properties also vary with time due to respiration and changes in thorax geometry with contusion (e.g. pneumothorax or hemothorax). This paper presents a finite volume solver developed to model photon migration in the diffusion approximation in heterogeneous complex 3D tissues. The code applies boundary conditions that account for Fresnel reflections. We propose an effective diffusion coefficient for the void volumes (pneumothorax) based on the assumption of the Lambertian diffusion of photons entering the pleural cavity and accounting for the local pleural cavity thickness. The code has been validated using the MCML Monte Carlo code as a benchmark. The code environment enables a semi-automatic preparation of 3D computational geometry from medical images and its rapid automatic meshing. We present the application of the code to analysis/optimization of the hybrid DOS/NIRS/ultrasound technique in which ultrasound provides data on the localization of thorax tissue boundaries. The code effectiveness (3D complex case computation takes 1 second) enables its use to quantitatively relate detected light signal to absorption and reduced scattering coefficients that are indicators of the pulmonary physiologic state (hemoglobin concentration and oxygenation).

Active ideal sedimentation: exact two-dimensional steady states.

PubMed

Hermann, Sophie; Schmidt, Matthias

2018-02-28

We consider an ideal gas of active Brownian particles that undergo self-propelled motion and both translational and rotational diffusion under the influence of gravity. We solve analytically the corresponding Smoluchowski equation in two space dimensions for steady states. The resulting one-body density is given as a series, where each term is a product of an orientation-dependent Mathieu function and a height-dependent exponential. A lower hard wall is implemented as a no-flux boundary condition. Numerical evaluation of the suitably truncated analytical solution shows the formation of two different spatial regimes upon increasing Peclet number. These regimes differ in their mean particle orientation and in their variation of the orientation-averaged density with height.

Basis adaptation and domain decomposition for steady partial differential equations with random coefficients

DOE PAGES

Tipireddy, R.; Stinis, P.; Tartakovsky, A. M.

2017-09-04

In this paper, we present a novel approach for solving steady-state stochastic partial differential equations (PDEs) with high-dimensional random parameter space. The proposed approach combines spatial domain decomposition with basis adaptation for each subdomain. The basis adaptation is used to address the curse of dimensionality by constructing an accurate low-dimensional representation of the stochastic PDE solution (probability density function and/or its leading statistical moments) in each subdomain. Restricting the basis adaptation to a specific subdomain affords finding a locally accurate solution. Then, the solutions from all of the subdomains are stitched together to provide a global solution. We support ourmore » construction with numerical experiments for a steady-state diffusion equation with a random spatially dependent coefficient. Lastly, our results show that highly accurate global solutions can be obtained with significantly reduced computational costs.« less

Software for Teaching Physiology and Biophysics.

ERIC Educational Resources Information Center

Weiss, Thomas F.; And Others

1992-01-01

Describes a software library developed to teach biophysics and physiology undergraduates that includes software on (1) the Hodgkin-Huxley model for excitation of action potentials in electrically excitable cells; (2) a random-walk model of diffusion; (3) single voltage-gated ion channels; (4) steady-state chemically mediated transport; and (5)…

Bubble Formation Modeling in IE-911

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

Fondeur, F.F.

2000-09-27

The author used diffusion modeling to determine the hydrogen and oxygen concentration inside IE-911. The study revealed gas bubble nucleation will not occur in the bulk solution inside the pore or on the pore wall. This finding results from the fast oxygen and hydrogen gas molecular diffusion and a very confined pore space. The net steady state concentration of these species inside the pore proves too low to drive bubble nucleation. This study did not investigate other gas bubble nucleating mechanism such as suspended particles in solution.

Experimental dynamic response of a two-dimensional, Mach 2.7, mixed compression inlet

NASA Technical Reports Server (NTRS)

Baumbick, R. J.; Neiner, G. H.; Cole, G. L.

1972-01-01

A test program was conducted on a two-dimensional supersonic inlet. Internal disturbances in diffuser exit mass flow were produced by oscillating overboard bypass doors. Open-loop dynamic responses of shock position, throat exit and diffuser exit static pressures are presented. The steady-state and dynamic coupling between ducts were also obtained. The experimental results from the two-dimensional inlet are compared to results from a similar size axisymmetric inlet and also to a transfer function synthesis program.

Advances in the steady-state hybrid regime in DIII-D – a fully non-inductive, ELM-suppressed scenario for ITER

DOE PAGES

Petty, Craig C.; Nazikian, Raffi; Park, Jin Myung; ...

2017-07-19

Here, the hybrid regime with beta, collisionality, safety factor and plasma shape relevant to the ITER steady-state mission has been successfully integrated with ELM suppression by applying an odd parity n=3 resonant magnetic perturbation (RMP). Fully non-inductive hybrids in the DIII-D tokamak with high beta (β ≤ 2.8%) and high confinement (98y2 ≤ 1.4) in the ITER similar shape have achieved zero surface loop voltage for up to two current relaxation times using efficient central current drive from ECCD and NBCD. The n=3 RMP causes surprisingly little increase in thermal transport during ELM suppression. Poloidal magnetic flux pumping in hybridmore » plasmas maintains q above 1 without loss of current drive efficiency, except that experiments show that extremely peaked ECCD profiles can create sawteeth. During ECCD, Alfvén eigenmode (AE) activity is replaced by a more benign fishbone-like mode, reducing anomalous beam ion diffusion by a factor of 2. While the electron and ion thermal diffusivities substantially increase with higher ECCD power, the loss of confinement can be offset by the decreased fast ion transport resulting from AE suppression. Extrapolations from DIII-D along a dimensionless parameter scaling path as well as those using self-consistent theory-based modeling show that these ELM-suppressed, fully non-inductive hybrids can achieve the Q = 5 ITER steady-state mission.« less

A theoretical analysis of steady-state photocurrents in simple silicon diodes

NASA Technical Reports Server (NTRS)

Edmonds, L.

1995-01-01

A theoretical analysis solves for the steady-state photocurrents produced by a given photo-generation rate function with negligible recombination in simple silicon diodes, consisting of a uniformly doped quasi-neutral region (called 'substrate' below) adjacent to a p-n junction depletion region (DR). Special attention is given to conditions that produce 'funneling' (a term used by the single-eventeffects community) under steady-state conditions. Funneling occurs when carriers are generated so fast that the DR becomes flooded and partially or completely collapses. Some or nearly all of the applied voltage, plus built-in potential normally across the DR, is now across the substrate. This substrate voltage drop affects substrate currents. The steady-state problem can provide some qualitative insights into the more difficult transient problem. First, it was found that funneling can be induced from a distance, i.e., from carriers generated at locations outside of the DR. Secondly, it was found that the substrate can divide into two subregions, with one controlling substrate resistance and the other characterized by ambipolar diffusion. Finally, funneling was found to be more difficult to induce in the p(sup +)/n diode than in the n(sup +)/p diode. The carrier density exceeding the doping density in the substrate and at the DR boundary is not a sufficient condition to collapse a DR.

EFFECTS OF SOG ON DPP-RECEPTOR BINDING*

PubMed Central

LOU, YUAN; NIE, QING; WAN, FREDERIC Y. M.

2007-01-01

Concentration gradients of morphogens are known to be instrumental in cell signaling and tissue patterning. Of interest here is how the presence of a competitor of BMP ligands affects cell signaling. The effects of Sog on the binding of Dpp with cell receptors are analyzed for dorsal-ventral morphogen gradient formation in vertebrate and Drosophila embryos. This prototype system includes diffusing ligands, degradation of morphogens, and cleavage of Dpp-Sog complexes by Tolloid to free up Dpp. Simple and biologically meaningful necessary and sufficient conditions for the existence of a steady state gradient configuration are established, and existence theorems are proved. For high Sog production rates (relative to the Dpp production rate), it is found that the steady state configuration exhibits a more intense Dpp-receptor concentration near the dorsal midline. Numerical simulations of the evolution of the system show that, beyond some threshold Sog production rate, the transient Dpp-receptor concentration at the dorsal midline would become more intense than that of the steady state, before subsiding and approaching a nonuniform steady state of lower magnitude. The magnitude of the transient concentration has been found to increase by several fold with increasing Sog production rate. The highly intense Dpp activity at and around the dorsal midline is consistent with available experimental observations and other analytical studies. PMID:17377624

Role of step stiffness and kinks in the relaxation of vicinal (001) with zigzag [110] steps

NASA Astrophysics Data System (ADS)

Mahjoub, B.; Hamouda, Ajmi BH.; Einstein, TL.

2017-08-01

We present a kinetic Monte Carlo study of the relaxation dynamics and steady state configurations of 〈110〉 steps on a vicinal (001) simple cubic surface. This system is interesting because 〈110〉 (fully kinked) steps have different elementary excitation energetics and favor step diffusion more than 〈100〉 (nominally straight) steps. In this study we show how this leads to different relaxation dynamics as well as to different steady state configurations, including that 2-bond breaking processes are rate determining for 〈110〉 steps in contrast to 3-bond breaking processes for 〈100〉-steps found in previous work [Surface Sci. 602, 3569 (2008)]. The analysis of the terrace-width distribution (TWD) shows a significant role of kink-generation-annihilation processes during the relaxation of steps: the kinetic of relaxation, toward the steady state, is much faster in the case of 〈110〉-zigzag steps, with a higher standard deviation of the TWD, in agreement with a decrease of step stiffness due to orientation. We conclude that smaller step stiffness leads inexorably to faster step dynamics towards the steady state. The step-edge anisotropy slows the relaxation of steps and increases the strength of step-step effective interactions.

Axial oxygen diffusion in the Krogh model: modifications to account for myocardial oxygen tension in isolated perfused rat hearts measured by EPR oximetry.

PubMed

Grinberg, Oleg; Novozhilov, Boris; Grinberg, Stalina; Friedman, Bruce; Swartz, Harold M

2005-01-01

The cylindrical steady-state model developed by Krogh with Erlang has served as the basis of understanding oxygen supply in living tissue for over eighty years. Due to its simplicity and agreement with some observations, it has been extensively used and successfully extended to new fields, especially for situations such as drug diffusion, water transport, and ice formation in tissues. However, the applicability of the model to make even a qualitative prediction of the oxygen level of specific volumes of the tissue is still controversial. We recently have developed an approximate analytical solution of a steady-state diffusion equation for a Krogh cylinder, including oxygen concentration in the capillary. This model was used to explain our previous experimental data on myocardial pO2 in isolated perfused rat hearts measured by EPR oximetry. An acceptable agreement with the experimental data was obtained by assuming that a known limitation of the existing EPR methods--a tendency to over-weight low pO2 values--had resulted in an under-estimate of the pO2. These results are consistent with recent results of others, which stress the importance of taking into account the details of what is measured by various methods.

Parameterization of planetary wave breaking in the middle atmosphere

NASA Technical Reports Server (NTRS)

Garcia, Rolando R.

1991-01-01

A parameterization of planetary wave breaking in the middle atmosphere has been developed and tested in a numerical model which includes governing equations for a single wave and the zonal-mean state. The parameterization is based on the assumption that wave breaking represents a steady-state equilibrium between the flux of wave activity and its dissipation by nonlinear processes, and that the latter can be represented as linear damping of the primary wave. With this and the additional assumption that the effect of breaking is to prevent further amplitude growth, the required dissipation rate is readily obtained from the steady-state equation for wave activity; diffusivity coefficients then follow from the dissipation rate. The assumptions made in the derivation are equivalent to those commonly used in parameterizations for gravity wave breaking, but the formulation in terms of wave activity helps highlight the central role of the wave group velocity in determining the dissipation rate. Comparison of model results with nonlinear calculations of wave breaking and with diagnostic determinations of stratospheric diffusion coefficients reveals remarkably good agreement, and suggests that the parameterization could be useful for simulating inexpensively, but realistically, the effects of planetary wave transport.

Osmosis in Cortical Collecting Tubules

PubMed Central

Schafer, James A.; Patlak, Clifford S.; Andreoli, Thomas E.

1974-01-01

This paper reports a theoretical analysis of osmotic transients and an experimental evaluation both of rapid time resolution of lumen to bath osmosis and of bidirectional steady-state osmosis in isolated rabbit cortical collecting tubules exposed to antidiuretic hormone (ADH). For the case of a membrane in series with unstirred layers, there may be considerable differences between initial and steady-state osmotic flows (i.e., the osmotic transient phenomenon), because the solute concentrations at the interfaces between membrane and unstirred layers may vary with time. A numerical solution of the equation of continuity provided a means for computing these time-dependent values, and, accordingly, the variation of osmotic flow with time for a given set of parameters including: Pf (cm s–1), the osmotic water permeability coefficient, the bulk phase solute concentrations, the unstirred layer thickness on either side of the membrane, and the fractional areas available for volume flow in the unstirred layers. The analyses provide a quantitative frame of reference for evaluating osmotic transients observed in epithelia in series with asymmetrical unstirred layers and indicate that, for such epithelia, Pf determinations from steady-state osmotic flows may result in gross underestimates of osmotic water permeability. In earlier studies, we suggested that the discrepancy between the ADH-dependent values of Pf and PDDw (cm s–1, diffusional water permeability coefficient) was the consequence of cellular constraints to diffusion. In the present experiments, no transients were detectable 20–30 s after initiating ADH-dependent lumen to bath osmosis; and steady-state ADH-dependent osmotic flows from bath to lumen and lumen to bath were linear and symmetrical. An evaluation of these data in terms of the analytical model indicates: First, cellular constraints to diffusion in cortical collecting tubules could be rationalized in terms of a 25-fold reduction in the area of the cell layer available for water transport, possibly due in part to transcellular shunting of osmotic flow; and second, such cellular constraints resulted in relatively small, approximately 15%, underestimates of Pf. PMID:4846767

High CO2 emissions through porous media: Transport mechanisms and implications for flux measurement and fractionation

USGS Publications Warehouse

Evans, William C.; Sorey, M.L.; Kennedy, B.M.; Stonestrom, David A.; Rogie, J.D.; Shuster, D.L.

2001-01-01

Diffuse emissions of CO2 are known to be large around some volcanoes and hydrothermal areas. Accumulation-chamber measurements of CO2 flux are increasingly used to estimate the total magmatic or metamorphic CO2 released from such areas. To assess the performance of accumulation chamber systems at fluxes one to three orders of magnitude higher than normally encountered in soil respiration studies, a test system was constructed in the laboratory where known fluxes could be maintained through dry sand. Steady-state gas concentration profiles and fractionation effects observed in the 30-cm sand column nearly match those predicted by the Stefan-Maxwell equations, indicating that the test system was functioning successfully as a uniform porous medium. Eight groups of investigators tested their accumulation chamber equipment, all configured with continuous infrared gas analyzers (IRGA), in this system. Over a flux range of ~ 200-12,000 g m-2 day-1, 90% of their 203 flux measurements were 0-25% lower than the imposed flux with a mean difference of - 12.5%. Although this difference would seem to be within the range of acceptability for many geologic investigations, some potential sources for larger errors were discovered. A steady-state pressure gradient of -20 Pa/m was measured in the sand column at a flux of 11,200 g m-2 day-1. The derived permeability (50 darcies) was used in the dusty-gas model (DGM) of transport to quantify various diffusive and viscous flux components. These calculations were used to demonstrate that accumulation chambers, in addition to reducing the underlying diffusive gradient, severely disrupt the steady-state pressure gradient. The resultant diversion of the net gas flow is probably responsible for the systematically low flux measurements. It was also shown that the fractionating effects of a viscous CO2 efflux against a diffusive influx of air will have a major impact on some important geochemical indicators, such as N2/Ar, ??15N-N2, and 4He/22Ne. Published by Elsevier Science B.V.

Steady state fractionation of heavy noble gas isotopes in a deep unsaturated zone

USGS Publications Warehouse

Seltzer, Alan M.; Severinghaus, Jeffrey P.; Andraski, Brian J.; Stonestrom, David A.

2017-01-01

To explore steady state fractionation processes in the unsaturated zone (UZ), we measured argon, krypton, and xenon isotope ratios throughout a ∼110 m deep UZ at the United States Geological Survey (USGS) Amargosa Desert Research Site (ADRS) in Nevada, USA. Prior work has suggested that gravitational settling should create a nearly linear increase in heavy-to-light isotope ratios toward the bottom of stagnant air columns in porous media. Our high-precision measurements revealed a binary mixture between (1) expected steady state isotopic compositions and (2) unfractionated atmospheric air. We hypothesize that the presence of an unsealed pipe connecting the surface to the water table allowed for direct inflow of surface air in response to extensive UZ gas sampling prior to our first (2015) measurements. Observed isotopic resettling in deep UZ samples collected a year later, after sealing the pipe, supports this interpretation. Data and modeling each suggest that the strong influence of gravitational settling and weaker influences of thermal diffusion and fluxes of CO2 and water vapor accurately describe steady state isotopic fractionation of argon, krypton, and xenon within the UZ. The data confirm that heavy noble gas isotopes are sensitive indicators of UZ depth. Based on this finding, we outline a potential inverse approach to quantify past water table depths from noble gas isotope measurements in paleogroundwater, after accounting for fractionation during dissolution of UZ air and bubbles.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Orientational anisotropy and interfacial transport in polycrystals

NASA Astrophysics Data System (ADS)

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

2016-04-01

Interfacial diffusion is governed to a large degree by geometric parameters that are determined by crystallographic orientation. In this study, we assess the impact of orientational anisotropy on mass transport at internal interfaces, focusing on the role of preferred crystallographic orientation (i.e., texture) on mass diffusion in a polycrystal. More specifically, we perform both numerical and analytical studies of steady-state diffusion for polycrystals having various grain-orientation distributions. By relating grain misorientation to grain-boundary energies and, via the Borisov relation, to the diffusivity, we link microstructure variability to kinetics. Our aim is to correlate shape features of the orientation distribution, such as the location and shapes of peaks, with the calculated effective diffusivity. Finally, we discuss the role of crystallographic constraints, such as those associated with grain junctions, in determining the effective diffusivity of a polycrystal.

Diffusion accessibility as a method for visualizing macromolecular surface geometry.

PubMed

Tsai, Yingssu; Holton, Thomas; Yeates, Todd O

2015-10-01

Important three-dimensional spatial features such as depth and surface concavity can be difficult to convey clearly in the context of two-dimensional images. In the area of macromolecular visualization, the computer graphics technique of ray-tracing can be helpful, but further techniques for emphasizing surface concavity can give clearer perceptions of depth. The notion of diffusion accessibility is well-suited for emphasizing such features of macromolecular surfaces, but a method for calculating diffusion accessibility has not been made widely available. Here we make available a web-based platform that performs the necessary calculation by solving the Laplace equation for steady state diffusion, and produces scripts for visualization that emphasize surface depth by coloring according to diffusion accessibility. The URL is http://services.mbi.ucla.edu/DiffAcc/. © 2015 The Protein Society.

A method for modeling oxygen diffusion in an agent-based model with application to host-pathogen infection

DOE PAGES

Plimpton, Steven J.; Sershen, Cheryl L.; May, Elebeoba E.

2015-01-01

This paper describes a method for incorporating a diffusion field modeling oxygen usage and dispersion in a multi-scale model of Mycobacterium tuberculosis (Mtb) infection mediated granuloma formation. We implemented this method over a floating-point field to model oxygen dynamics in host tissue during chronic phase response and Mtb persistence. The method avoids the requirement of satisfying the Courant-Friedrichs-Lewy (CFL) condition, which is necessary in implementing the explicit version of the finite-difference method, but imposes an impractical bound on the time step. Instead, diffusion is modeled by a matrix-based, steady state approximate solution to the diffusion equation. Moreover, presented in figuremore » 1 is the evolution of the diffusion profiles of a containment granuloma over time.« less

Role of spatial inhomogenity in GPCR dimerisation predicted by receptor association-diffusion models

NASA Astrophysics Data System (ADS)

Deshpande, Sneha A.; Pawar, Aiswarya B.; Dighe, Anish; Athale, Chaitanya A.; Sengupta, Durba

2017-06-01

G protein-coupled receptor (GPCR) association is an emerging paradigm with far reaching implications in the regulation of signalling pathways and therapeutic interventions. Recent super resolution microscopy studies have revealed that receptor dimer steady state exhibits sub-second dynamics. In particular the GPCRs, muscarinic acetylcholine receptor M1 (M1MR) and formyl peptide receptor (FPR), have been demonstrated to exhibit a fast association/dissociation kinetics, independent of ligand binding. In this work, we have developed a spatial kinetic Monte Carlo model to investigate receptor homo-dimerisation at a single receptor resolution. Experimentally measured association/dissociation kinetic parameters and diffusion coefficients were used as inputs to the model. To test the effect of membrane spatial heterogeneity on the simulated steady state, simulations were compared to experimental statistics of dimerisation. In the simplest case the receptors are assumed to be diffusing in a spatially homogeneous environment, while spatial heterogeneity is modelled to result from crowding, membrane micro-domains and cytoskeletal compartmentalisation or ‘corrals’. We show that a simple association-diffusion model is sufficient to reproduce M1MR association statistics, but fails to reproduce FPR statistics despite comparable kinetic constants. A parameter sensitivity analysis is required to reproduce the association statistics of FPR. The model reveals the complex interplay between cytoskeletal components and their influence on receptor association kinetics within the features of the membrane landscape. These results constitute an important step towards understanding the factors modulating GPCR organisation.

Convection of tin in a Bridgman system. I - Flow characterization by effective diffusivity measurements

NASA Technical Reports Server (NTRS)

Sears, B.; Narayanan, R.; Anderson, T. J.; Fripp, A. L.

1992-01-01

An electrochemical titration method was used to investigate the dynamic states in a cylindrical layer of convecting tin. The liquid tin was contained in a cell, with curved boundaries made of quartz and flat boundaries made of a solid state electrolyte - yttria-stabilized zirconia (YSZ). The electrolyte acted as a window through which a trace amount of oxygen could be pumped in or out by the application of a constant voltage. The concentration at the YSZ interface was monitored by operating the electrochemical cell in the galvanic mode. Experimentally determined effective diffusivities of oxygen were compared with the molecular diffusivity. Dynamic states in the convective flow were thus inferred. Temperature measurements were simultaneously made in order to identify the onset of oscillations from a steady convective regime. The experiments were conducted for two different aspect ratios for various imposed temperature gradients and two different orientations with respect to gravity. Transcritical states were identified and comparison to two-dimensional numerical models were made.

Study on monostable and bistable reaction-diffusion equations by iteration of travelling wave maps

NASA Astrophysics Data System (ADS)

Yi, Taishan; Chen, Yuming

2017-12-01

In this paper, based on the iterative properties of travelling wave maps, we develop a new method to obtain spreading speeds and asymptotic propagation for monostable and bistable reaction-diffusion equations. Precisely, for Dirichlet problems of monostable reaction-diffusion equations on the half line, by making links between travelling wave maps and integral operators associated with the Dirichlet diffusion kernel (the latter is NOT invariant under translation), we obtain some iteration properties of the Dirichlet diffusion and some a priori estimates on nontrivial solutions of Dirichlet problems under travelling wave transformation. We then provide the asymptotic behavior of nontrivial solutions in the space-time region for Dirichlet problems. These enable us to develop a unified method to obtain results on heterogeneous steady states, travelling waves, spreading speeds, and asymptotic spreading behavior for Dirichlet problem of monostable reaction-diffusion equations on R+ as well as of monostable/bistable reaction-diffusion equations on R.

Dissemination of the Phasor Method in Electrical Engineering in China

ERIC Educational Resources Information Center

Zhang, Liangliang; Lei, Yinzhao

2014-01-01

Synchrophasors, widely used in the monitoring and analysis of power systems, evolved from the phasor method presented by Charles Proteus Steinmetz in 1893. The phasor method is a mathematical method for solving linear sinusoidal steady-state circuits and time-varying electromagnetic fields. This paper traces the history and diffusion of the phasor…

Development of an Advanced Flameless Combustion Heat Source Utilizing Heavy Fuels

DTIC Science & Technology

2010-07-01

Flow Uniformity Test Cell .............................................................................51 Figure 37. Relationship Between Thermal...equations that influence both transient and steady state thermal behavior. Equation 1 describes the relationship between thermal diffusivity and the...intrinsic properties of any material. Equation 2 describes the Wiedemann-Franz law. P. Grootenhuis, et al reported on the relationship between

Extended carrier lifetimes and diffusion in hybrid perovskites revealed by Hall effect and photoconductivity measurements

PubMed Central

Chen, Y.; Yi, H. T.; Wu, X.; Haroldson, R.; Gartstein, Y. N.; Rodionov, Y. I.; Tikhonov, K. S.; Zakhidov, A.; Zhu, X. -Y.; Podzorov, V.

2016-01-01

Impressive performance of hybrid perovskite solar cells reported in recent years still awaits a comprehensive understanding of its microscopic origins. In this work, the intrinsic Hall mobility and photocarrier recombination coefficient are directly measured in these materials in steady-state transport studies. The results show that electron-hole recombination and carrier trapping rates in hybrid perovskites are very low. The bimolecular recombination coefficient (10−11 to 10−10 cm3 s−1) is found to be on par with that in the best direct-band inorganic semiconductors, even though the intrinsic Hall mobility in hybrid perovskites is considerably lower (up to 60 cm2 V−1 s−1). Measured here, steady-state carrier lifetimes (of up to 3 ms) and diffusion lengths (as long as 650 μm) are significantly longer than those in high-purity crystalline inorganic semiconductors. We suggest that these experimental findings are consistent with the polaronic nature of charge carriers, resulting from an interaction of charges with methylammonium dipoles. PMID:27477058

Mixed analytical-stochastic simulation method for the recovery of a Brownian gradient source from probability fluxes to small windows.

PubMed

Dobramysl, U; Holcman, D

2018-02-15

Is it possible to recover the position of a source from the steady-state fluxes of Brownian particles to small absorbing windows located on the boundary of a domain? To address this question, we develop a numerical procedure to avoid tracking Brownian trajectories in the entire infinite space. Instead, we generate particles near the absorbing windows, computed from the analytical expression of the exit probability. When the Brownian particles are generated by a steady-state gradient at a single point, we compute asymptotically the fluxes to small absorbing holes distributed on the boundary of half-space and on a disk in two dimensions, which agree with stochastic simulations. We also derive an expression for the splitting probability between small windows using the matched asymptotic method. Finally, when there are more than two small absorbing windows, we show how to reconstruct the position of the source from the diffusion fluxes. The present approach provides a computational first principle for the mechanism of sensing a gradient of diffusing particles, a ubiquitous problem in cell biology.

Experimental correlations for transient soot measurement in diesel exhaust aerosol with light extinction, electrical mobility and diffusion charger sensor techniques

NASA Astrophysics Data System (ADS)

Bermúdez, Vicente; Pastor, José V.; López, J. Javier; Campos, Daniel

2014-06-01

A study of soot measurement deviation using a diffusion charger sensor with three dilution ratios was conducted in order to obtain an optimum setting that can be used to obtain accurate measurements in terms of soot mass emitted by a light-duty diesel engine under transient operating conditions. The paper includes three experimental phases: an experimental validation of the measurement settings in steady-state operating conditions; evaluation of the proposed setting under the New European Driving Cycle; and a study of correlations for different measurement techniques. These correlations provide a reliable tool for estimating soot emission from light extinction measurement or from accumulation particle mode concentration. There are several methods and correlations to estimate soot concentration in the literature but most of them were assessed for steady-state operating points. In this case, the correlations are obtained by more than 4000 points measured in transient conditions. The results of the new two correlations, with less than 4% deviation from the reference measurement, are presented in this paper.

Extended carrier lifetimes and diffusion in hybrid perovskites revealed by Hall effect and photoconductivity measurements

DOE PAGES

Chen, Y.; Yi, H. T.; Wu, X.; ...

2016-08-01

Impressive performance of hybrid perovskite solar cells reported in recent years still awaits a comprehensive understanding of its microscopic origins. In this work, the intrinsic Hall mobility and photocarrier recombination coefficient are directly measured in these materials in steady-state transport studies. The results show that electron-hole recombination and carrier trapping rates in hybrid perovskites are very low. The bimolecular recombination coefficient (10 –11 to 10 –10 cm 3 s –1) is found to be on par with that in the best direct-band inorganic semiconductors, even though the intrinsic Hall mobility in hybrid perovskites is considerably lower (up to 60 cmmore » 2 V –1 s –1). Measured here, steady-state carrier lifetimes (of up to 3 ms) and diffusion lengths (as long as 650 μm) are significantly longer than those in high-purity crystalline inorganic semiconductors. As a result, we suggest that these experimental findings are consistent with the polaronic nature of charge carriers, resulting from an interaction of charges with methylammonium dipoles.« less

Hydrodynamics of steady state phloem transport with radial leakage of solute

PubMed Central

Cabrita, Paulo; Thorpe, Michael; Huber, Gregor

2013-01-01

Long-distance phloem transport occurs under a pressure gradient generated by the osmotic exchange of water associated with solute exchange in source and sink regions. But these exchanges also occur along the pathway, and yet their physiological role has almost been ignored in mathematical models of phloem transport. Here we present a steady state model for transport phloem which allows solute leakage, based on the Navier-Stokes and convection-diffusion equations which describe fluid motion rigorously. Sieve tube membrane permeability Ps for passive solute exchange (and correspondingly, membrane reflection coefficient) influenced model results strongly, and had to lie in the bottom range of the values reported for plant cells for the results to be realistic. This smaller permeability reflects the efficient specialization of sieve tube elements, minimizing any diffusive solute loss favored by the large concentration difference across the sieve tube membrane. We also found there can be a specific reflection coefficient for which pressure profiles and sap velocities can both be similar to those predicted by the Hagen-Poiseuille equation for a completely impermeable tube. PMID:24409189

Fully Modulated Turbulent Diffusion Flames in Microgravity*

NASA Astrophysics Data System (ADS)

Sangras, Ravikiran; Hermanson, James C.; Johari, Hamid; Stocker, Dennis P.; Hegde, Uday G.

2001-11-01

Fully modulated, turbulent diffusion flames are studied in microgravity in 2.2 s drop-tower tests with a co-flow combustor. The fuel consists of pure ethylene or a 50/50 mixture with nitrogen; the oxidizer is either normal air or up to 40% oxygen in nitrogen. A fast solenoid valve is used to fully modulate (completely shut off) the fuel flow. The injection times range from 5 to 400 ms with a duty-cycle of 0.1 - 0.5. The fuel nozzle is 2 mm in diameter with a jet Reynolds number of 5000. The shortest injection times yield compact puffs with a mean flame length as little as 20% of that of the steady-state flame. The reduction in flame length appears to be somewhat greater in microgravity than in normal gravity. As the injection time increases, elongated flames result with a mean flame length comparable to that of a steady flame. The injection time for which the steady-state flame length is approached is shorter for lower air/fuel ratios. For a given duty-cycle, the separation between puffs is greater in microgravity than in normal gravity. For compact puffs, increasing the duty-cycle appears to increase the flame length more in microgravity than in normal gravity. The microgravity flame puffs do not exhibit the vortex-ring-like structure seen in normal gravity.

Thermal and solutal conditions at the tips of a directional dendritic growth front

NASA Technical Reports Server (NTRS)

Mccay, T. D.; Mccay, Mary H.; Hopkins, John A.

1991-01-01

The line-of-sight averaged, time-dependent dendrite tip concentrations for the diffusion dominated vertical directional solidification of a metal model (ammonium chloride and water) were obtained by extrapolating exponentially fit diffusion layer profiles measured using a laser interferometer. The tip concentrations were shown to increase linearly with time throughout the diffusion dominated growth process for an initially stagnant dendritic array. The process was terminated for the cases chosen by convective breakdown suffered when the conditionally stable diffusion layer exceeded the critical Rayleigh criteria. The transient tip concentrations were determined to significantly exceed the values predicted for steady state, thus producing much larger constitutional undercoolings. This has ramifications for growth speeds, arm spacings and the dendritic structure itself.

Transient shear viscosity of weakly aggregating polystyrene latex dispersions

NASA Astrophysics Data System (ADS)

de Rooij, R.; Potanin, A. A.; van den Ende, D.; Mellema, J.

1994-04-01

The transient behavior of the viscosity (stress growth) of a weakly aggregating polystyrene latex dispersion after a step from a high shear rate to a lower shear rate has been measured and modeled. Single particles cluster together into spherical fractal aggregates. The steady state size of these aggregates is determined by the shear stresses exerted on the latter by the flow field. The restructuring process taking place when going from a starting situation with monodisperse spherical aggregates to larger monodisperse spherical aggregates is described by the capture of primary fractal aggregates by growing aggregates until a new steady state is reached. It is assumed that the aggregation mechanism is diffusion limited. The model is valid if the radii of primary aggregates Rprim are much smaller than the radii of the growing aggregates. Fitting the model to experimental data at two volume fractions and a number of step sizes in shear rate yielded physically reasonable values of Rprim at fractal dimensions 2.1≤df≤2.2. The latter range is in good agreement with the range 2.0≤df≤2.3 obtained from steady shear results. The experimental data have also been fitted to a numerical solution of the diffusion equation for primary aggregates for a cell model with moving boundary, also yielding 2.1≤df≤2.2. The range for df found from both approaches agrees well with the range df≊2.1-2.2 determined from computer simulations on diffusion-limited aggregation including restructuring or thermal breakup after formation of bonds. Thus a simple model has been put forward which may capture the basic features of the aggregating model dispersion on a microstructural level and leads to physically acceptable parameter values.

Establishing repeatable operation of a centrifugal compressor research facility for aerodynamic investigations

NASA Astrophysics Data System (ADS)

Dolan, Matthew Philip

The objective of this research has been to analyze the steady state performance of a new centrifugal compressor research facility. The CSTAR (Centrifugal STage for Aerodynamic Research) compressor has been designed to be placed as the last stage in an axial compressor and its performance in this flow regime was measured. Because the compressor was designed as a research vehicle, unique instrumentation throughout the flow path provides a detailed look at its steady state performance. Rakes at the inlet and deswirl section quantify the overall performance but other instrumentation is used to understand the component performance. Static pressure taps along the shroud, within the diffuser, and through the turn-to-axial show the static pressure rise. Additionally, rakes at the inlet and exit of diffuser also characterize the performance of the wedge diffuser and the impeller. Additionally, capacitance probes located at the knee and exducer of the impeller non-intrusively measure the size of the tip clearance during facility operation. An investigation into these measurements resulted in a standard procedure for in-situ calibration and installation to produce repeatable and accurate clearance measurements. Finally, the feasibility of future Laser Doppler Velocimetry measurements acquired through the shroud window was tested and was found to be achievable with the use of beam translators to ensure that measurement volumes are created after beam refraction through the windows. Inlet conditions of the facility have been investigated and fluctuations of the ambient conditions have been mitigated with a large settling chamber to ensure repeatable and stable operation. The current instrumentation was utilized to determine the compressor performance. Measurements of the steady performance parameters along with those of the internal flowfield are documented.

Monte Carlo simulation of steady state shock structure including cosmic ray mediation and particle escape

NASA Technical Reports Server (NTRS)

Ellison, D. C.; Jones, F. C.; Eichler, D.

1983-01-01

Both hydrodynamic calculations (Drury and Volk, 1981, and Axford et al., 1982) and kinetic simulations imply the existence of thermal subshocks in high-Mach-number cosmic-ray-mediated shocks. The injection efficiency of particles from the thermal background into the diffusive shock-acceleration process is determined in part by the sharpness and compression ratio of these subshocks. Results are reported for a Monte Carlo simulation that includes both the back reaction of accelerated particles on the inflowing plasma, producing a smoothing of the shock transition, and the free escape of particles allowing arbitrarily large overall compression ratios in high-Mach-number steady-state shocks. Energy spectra and estimates of the proportion of thermal ions accelerated to high energy are obtained.

Monte Carlo simulation of steady state shock structure including cosmic ray mediation and particle escape

NASA Astrophysics Data System (ADS)

Ellison, D. C.; Jones, F. C.; Eichler, D.

1983-08-01

Both hydrodynamic calculations (Drury and Volk, 1981, and Axford et al., 1982) and kinetic simulations imply the existence of thermal subshocks in high-Mach-number cosmic-ray-mediated shocks. The injection efficiency of particles from the thermal background into the diffusive shock-acceleration process is determined in part by the sharpness and compression ratio of these subshocks. Results are reported for a Monte Carlo simulation that includes both the back reaction of accelerated particles on the inflowing plasma, producing a smoothing of the shock transition, and the free escape of particles allowing arbitrarily large overall compression ratios in high-Mach-number steady-state shocks. Energy spectra and estimates of the proportion of thermal ions accelerated to high energy are obtained.

Can phoretic particles swim in two dimensions?

NASA Astrophysics Data System (ADS)

Sondak, David; Hawley, Cory; Heng, Siyu; Vinsonhaler, Rebecca; Lauga, Eric; Thiffeault, Jean-Luc

2016-12-01

Artificial phoretic particles swim using self-generated gradients in chemical species (self-diffusiophoresis) or charges and currents (self-electrophoresis). These particles can be used to study the physics of collective motion in active matter and might have promising applications in bioengineering. In the case of self-diffusiophoresis, the classical physical model relies on a steady solution of the diffusion equation, from which chemical gradients, phoretic flows, and ultimately the swimming velocity may be derived. Motivated by disk-shaped particles in thin films and under confinement, we examine the extension to two dimensions. Because the two-dimensional diffusion equation lacks a steady state with the correct boundary conditions, Laplace transforms must be used to study the long-time behavior of the problem and determine the swimming velocity. For fixed chemical fluxes on the particle surface, we find that the swimming velocity ultimately always decays logarithmically in time. In the case of finite Péclet numbers, we solve the full advection-diffusion equation numerically and show that this decay can be avoided by the particle moving to regions of unconsumed reactant. Finite advection thus regularizes the two-dimensional phoretic problem.

Semiconductor Crystal Growth in Static and Rotating Magnetic fields

NASA Technical Reports Server (NTRS)

Volz, Martin

2004-01-01

Magnetic fields have been applied during the growth of bulk semiconductor crystals to control the convective flow behavior of the melt. A static magnetic field established Lorentz forces which tend to reduce the convective intensity in the melt. At sufficiently high magnetic field strengths, a boundary layer is established ahead of the solid-liquid interface where mass transport is dominated by diffusion. This can have a significant effect on segregation behavior and can eliminate striations in grown crystals resulting from convective instabilities. Experiments on dilute (Ge:Ga) and solid solution (Ge-Si) semiconductor systems show a transition from a completely mixed convective state to a diffusion-controlled state between 0 and 5 Tesla. In HgCdTe, radial segregation approached the diffusion limited regime and the curvature of the solid-liquid interface was reduced by a factor of 3 during growth in magnetic fields in excess of 0.5 Tesla. Convection can also be controlled during growth at reduced gravitational levels. However, the direction of the residual steady-state acceleration vector can compromise this effect if it cannot be controlled. A magnetic field in reduced gravity can suppress disturbances caused by residual transverse accelerations and by random non-steady accelerations. Indeed, a joint program between NASA and the NHMFL resulted in the construction of a prototype spaceflight magnet for crystal growth applications. An alternative to the suppression of convection by static magnetic fields and reduced gravity is the imposition of controlled steady flow generated by rotating magnetic fields (RMF)'s. The potential benefits of an RMF include homogenization of the melt temperature and concentration distribution, and control of the solid-liquid interface shape. Adjusting the strength and frequency of the applied magnetic field allows tailoring of the resultant flow field. A limitation of RMF's is that they introduce deleterious instabilities above a critical magnetic field value. Growth conditions in which static magnetic fields rotational magnetic fields, and reduced gravitational levels can have a beneficial role will be described.

Asymptotic analysis of noisy fitness maximization, applied to metabolism & growth

NASA Astrophysics Data System (ADS)

De Martino, Daniele; Masoero, Davide

2016-12-01

We consider a population dynamics model coupling cell growth to a diffusion in the space of metabolic phenotypes as it can be obtained from realistic constraints-based modeling. In the asymptotic regime of slow diffusion, that coincides with the relevant experimental range, the resulting non-linear Fokker-Planck equation is solved for the steady state in the WKB approximation that maps it into the ground state of a quantum particle in an Airy potential plus a centrifugal term. We retrieve scaling laws for growth rate fluctuations and time response with respect to the distance from the maximum growth rate suggesting that suboptimal populations can have a faster response to perturbations.

Aggregation and Disaggregation of Senile Plaques in Alzheimer Disease

NASA Astrophysics Data System (ADS)

Cruz, L.; Urbanc, B.; Buldyrev, S. V.; Christie, R.; Gomez-Isla, T.; Havlin, S.; McNamara, M.; Stanley, H. E.; Hyman, B. T.

1997-07-01

We quantitatively analyzed, using laser scanning confocal microscopy, the three-dimensional structure of individual senile plaques in Alzheimer disease. We carried out the quantitative analysis using statistical methods to gain insights about the processes that govern Aβ peptide deposition. Our results show that plaques are complex porous structures with characteristic pore sizes. We interpret plaque morphology in the context of a new dynamical model based on competing aggregation and disaggregation processes in kinetic steady-state equilibrium with an additional diffusion process allowing Aβ deposits to diffuse over the surface of plaques.

Multi-variable mathematical models for the air-cathode microbial fuel cell system

NASA Astrophysics Data System (ADS)

Ou, Shiqi; Kashima, Hiroyuki; Aaron, Douglas S.; Regan, John M.; Mench, Matthew M.

2016-05-01

This research adopted the version control system into the model construction for the single chamber air-cathode microbial fuel cell (MFC) system, to understand the interrelation of biological, chemical, and electrochemical reactions. The anodic steady state model was used to consider the chemical species diffusion and electric migration influence to the MFC performance. In the cathodic steady state model, the mass transport and reactions in a multi-layer, abiotic cathode and multi-bacteria cathode biofilm were simulated. Transport of hydroxide was assumed for cathodic pH change. This assumption is an alternative to the typical notion of proton consumption during oxygen reduction to explain elevated cathode pH. The cathodic steady state model provided the power density and polarization curve performance results that can be compared to an experimental MFC system. Another aspect considered was the relative contributions of platinum catalyst and microbes on the cathode to the oxygen reduction reaction (ORR). Simulation results showed that the biocatalyst in a cathode that includes a Pt/C catalyst likely plays a minor role in ORR, contributing up to 8% of the total power calculated by the models.

Stochastic theory of nonequilibrium steady states and its applications. Part I

NASA Astrophysics Data System (ADS)

Zhang, Xue-Juan; Qian, Hong; Qian, Min

2012-01-01

The concepts of equilibrium and nonequilibrium steady states are introduced in the present review as mathematical concepts associated with stationary Markov processes. For both discrete stochastic systems with master equations and continuous diffusion processes with Fokker-Planck equations, the nonequilibrium steady state (NESS) is characterized in terms of several key notions which are originated from nonequilibrium physics: time irreversibility, breakdown of detailed balance, free energy dissipation, and positive entropy production rate. After presenting this NESS theory in pedagogically accessible mathematical terms that require only a minimal amount of prerequisites in nonlinear differential equations and the theory of probability, it is applied, in Part I, to two widely studied problems: the stochastic resonance (also known as coherent resonance) and molecular motors (also known as Brownian ratchet). Although both areas have advanced rapidly on their own with a vast amount of literature, the theory of NESS provides them with a unifying mathematical foundation. Part II of this review contains applications of the NESS theory to processes from cellular biochemistry, ranging from enzyme catalyzed reactions, kinetic proofreading, to zeroth-order ultrasensitivity.

Statistical steady states in turbulent droplet condensation

NASA Astrophysics Data System (ADS)

Bec, Jeremie; Krstulovic, Giorgio; Siewert, Christoph

2017-11-01

We investigate the general problem of turbulent condensation. Using direct numerical simulations we show that the fluctuations of the supersaturation field offer different conditions for the growth of droplets which evolve in time due to turbulent transport and mixing. This leads to propose a Lagrangian stochastic model consisting of a set of integro-differential equations for the joint evolution of the squared radius and the supersaturation along droplet trajectories. The model has two parameters fixed by the total amount of water and the thermodynamic properties, as well as the Lagrangian integral timescale of the turbulent supersaturation. The model reproduces very well the droplet size distributions obtained from direct numerical simulations and their time evolution. A noticeable result is that, after a stage where the squared radius simply diffuses, the system converges exponentially fast to a statistical steady state independent of the initial conditions. The main mechanism involved in this convergence is a loss of memory induced by a significant number of droplets undergoing a complete evaporation before growing again. The statistical steady state is characterised by an exponential tail in the droplet mass distribution.

White Matter Damage Relates to Oxygen Saturation in Children With Sickle Cell Anemia Without Silent Cerebral Infarcts.

PubMed

Kawadler, Jamie M; Kirkham, Fenella J; Clayden, Jonathan D; Hollocks, Matthew J; Seymour, Emma L; Edey, Rosanna; Telfer, Paul; Robins, Andrew; Wilkey, Olu; Barker, Simon; Cox, Tim C S; Clark, Chris A

2015-07-01

Sickle cell anemia is associated with compromised oxygen-carrying capability of hemoglobin and a high incidence of overt and silent stroke. However, in children with no evidence of cerebral infarction, there are changes in brain morphometry relative to healthy controls, which may be related to chronic anemia and oxygen desaturation. A whole-brain tract-based spatial statistics analysis was carried out in 25 children with sickle cell anemia with no evidence of abnormality on T2-weighted magnetic resonance imaging (13 male, age range: 8-18 years) and 14 age- and race-matched controls (7 male, age range: 10-19 years) to determine the extent of white matter injury. The hypotheses that white matter damage is related to daytime peripheral oxygen saturation and steady-state hemoglobin were tested. Fractional anisotropy was found to be significantly lower in patients in the subcortical white matter (corticospinal tract and cerebellum), whereas mean diffusivity and radial diffusivity were higher in patients in widespread areas. There was a significant negative relationship between radial diffusivity and oxygen saturation (P<0.05) in the anterior corpus callosum and a trend-level negative relationship between radial diffusivity and hemoglobin (P<0.1) in the midbody of the corpus callosum. These data show widespread white matter abnormalities in a sample of asymptomatic children with sickle cell anemia, and provides for the first time direct evidence of a relationship between brain microstructure and markers of disease severity (eg, peripheral oxygen saturation and steady-state hemoglobin). This study suggests that diffusion tensor imaging metrics may serve as a biomarker for future trials of reducing hypoxic exposure. © 2015 American Heart Association, Inc.

Advances in the steady-state hybrid regime in DIII-D—a fully non-inductive, ELM-suppressed scenario for ITER

NASA Astrophysics Data System (ADS)

Petty, C. C.; Nazikian, R.; Park, J. M.; Turco, F.; Chen, Xi; Cui, L.; Evans, T. E.; Ferraro, N. M.; Ferron, J. R.; Garofalo, A. M.; Grierson, B. A.; Holcomb, C. T.; Hyatt, A. W.; Kolemen, E.; La Haye, R. J.; Lasnier, C.; Logan, N.; Luce, T. C.; McKee, G. R.; Orlov, D.; Osborne, T. H.; Pace, D. C.; Paz-Soldan, C.; Petrie, T. W.; Snyder, P. B.; Solomon, W. M.; Taylor, N. Z.; Thome, K. E.; Van Zeeland, M. A.; Zhu, Y.

2017-11-01

The hybrid regime with beta, collisionality, safety factor and plasma shape relevant to the ITER steady-state mission has been successfully integrated with ELM suppression by applying an odd parity n  =  3 resonant magnetic perturbation (RMP). Fully non-inductive hybrids in the DIII-D tokamak with high beta (≤ft< β \\right>   ⩽  2.8%) and high confinement (H98y2  ⩽  1.4) in the ITER similar shape have achieved zero surface loop voltage for up to two current relaxation times using efficient central current drive from ECCD and NBCD. The n  =  3 RMP causes surprisingly little increase in thermal transport during ELM suppression. Poloidal magnetic flux pumping in hybrid plasmas maintains q above 1 without loss of current drive efficiency, except that experiments show that extremely peaked ECCD profiles can create sawteeth. During ECCD, Alfvén eigenmode (AE) activity is replaced by a more benign fishbone-like mode, reducing anomalous beam ion diffusion by a factor of 2. While the electron and ion thermal diffusivities substantially increase with higher ECCD power, the loss of confinement can be offset by the decreased fast ion transport resulting from AE suppression. Extrapolations from DIII-D along a dimensionless parameter scaling path as well as those using self-consistent theory-based modeling show that these ELM-suppressed, fully non-inductive hybrids can achieve the Q fus  =  5 ITER steady-state mission.

Turing pattern dynamics and adaptive discretization for a super-diffusive Lotka-Volterra model.

PubMed

Bendahmane, Mostafa; Ruiz-Baier, Ricardo; Tian, Canrong

2016-05-01

In this paper we analyze the effects of introducing the fractional-in-space operator into a Lotka-Volterra competitive model describing population super-diffusion. First, we study how cross super-diffusion influences the formation of spatial patterns: a linear stability analysis is carried out, showing that cross super-diffusion triggers Turing instabilities, whereas classical (self) super-diffusion does not. In addition we perform a weakly nonlinear analysis yielding a system of amplitude equations, whose study shows the stability of Turing steady states. A second goal of this contribution is to propose a fully adaptive multiresolution finite volume method that employs shifted Grünwald gradient approximations, and which is tailored for a larger class of systems involving fractional diffusion operators. The scheme is aimed at efficient dynamic mesh adaptation and substantial savings in computational burden. A numerical simulation of the model was performed near the instability boundaries, confirming the behavior predicted by our analysis.

Ribosome flow model with positive feedback

PubMed Central

Margaliot, Michael; Tuller, Tamir

2013-01-01

Eukaryotic mRNAs usually form a circular structure; thus, ribosomes that terminatae translation at the 3′ end can diffuse with increased probability to the 5′ end of the transcript, initiating another cycle of translation. This phenomenon describes ribosomal flow with positive feedback—an increase in the flow of ribosomes terminating translating the open reading frame increases the ribosomal initiation rate. The aim of this paper is to model and rigorously analyse translation with feedback. We suggest a modified version of the ribosome flow model, called the ribosome flow model with input and output. In this model, the input is the initiation rate and the output is the translation rate. We analyse this model after closing the loop with a positive linear feedback. We show that the closed-loop system admits a unique globally asymptotically stable equilibrium point. From a biophysical point of view, this means that there exists a unique steady state of ribosome distributions along the mRNA, and thus a unique steady-state translation rate. The solution from any initial distribution will converge to this steady state. The steady-state distribution demonstrates a decrease in ribosome density along the coding sequence. For the case of constant elongation rates, we obtain expressions relating the model parameters to the equilibrium point. These results may perhaps be used to re-engineer the biological system in order to obtain a desired translation rate. PMID:23720534

First-Order Hyperbolic System Method for Time-Dependent Advection-Diffusion Problems

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Nishikawa, Hiroaki

2014-01-01

A time-dependent extension of the first-order hyperbolic system method for advection-diffusion problems is introduced. Diffusive/viscous terms are written and discretized as a hyperbolic system, which recovers the original equation in the steady state. The resulting scheme offers advantages over traditional schemes: a dramatic simplification in the discretization, high-order accuracy in the solution gradients, and orders-of-magnitude convergence acceleration. The hyperbolic advection-diffusion system is discretized by the second-order upwind residual-distribution scheme in a unified manner, and the system of implicit-residual-equations is solved by Newton's method over every physical time step. The numerical results are presented for linear and nonlinear advection-diffusion problems, demonstrating solutions and gradients produced to the same order of accuracy, with rapid convergence over each physical time step, typically less than five Newton iterations.

Titan's gas and plasma torus

NASA Technical Reports Server (NTRS)

Eviatar, A.; Podolak, M.

1983-01-01

The implications of the Voyager observations for a steady state model of a torus of hydrogen and nitrogen neutral gas and plasma are assessed. Constraints are placed on the nitrogen neutral density, the neutral hydrogen and nitrogen escape fluxes (from Titan), and the diffusion rate in terms of observed or inferred quantities. The results obtained are consistent with the Voyager observations.

Emulation of Condensed Fuel Flames Using a Burning Rate Emulator (BRE) in Microgravity

NASA Technical Reports Server (NTRS)

Markan, A.; Quintiere, J. G.; Sunderland, P. B.; De Ris, J. L.; Stocker, D. P.

2017-01-01

The Burning Rate Emulator (BRE) is a gaseous fuel burner developed to emulate the burning of condensed phase fuels. The current study details several tests at the NASA Glenn 5-s drop facility to test the BRE technique in microgravity conditions. The tests are conducted for two burner diameters, 25 mm and 50 mm respectively, with methane and ethylene as the fuels. The ambient pressure, oxygen content and fuel flow rate are additional parameters. The microgravity results exhibit a nominally hemispherical flame with decelerating growth and quasi-steady heat flux after about 5 seconds. The BRE burner was evaluated with a transient analysis to assess the extent of steady-state achieved. The burning rate and flame height recorded at the end of the drop are correlated using two steady-state purely diffusive models. A higher burning rate for the bigger burner as compared to theory indicates the significance of gas radiation. The effect of the ambient pressure and oxygen concentration on the heat of gasification are also examined.

Thermal transport at the nanoscale: A Fourier's law vs. phonon Boltzmann equation study

NASA Astrophysics Data System (ADS)

Kaiser, J.; Feng, T.; Maassen, J.; Wang, X.; Ruan, X.; Lundstrom, M.

2017-01-01

Steady-state thermal transport in nanostructures with dimensions comparable to the phonon mean-free-path is examined. Both the case of contacts at different temperatures with no internal heat generation and contacts at the same temperature with internal heat generation are considered. Fourier's law results are compared to finite volume method solutions of the phonon Boltzmann equation in the gray approximation. When the boundary conditions are properly specified, results obtained using Fourier's law without modifying the bulk thermal conductivity are in essentially exact quantitative agreement with the phonon Boltzmann equation in the ballistic and diffusive limits. The errors between these two limits are examined in this paper. For the four cases examined, the error in the apparent thermal conductivity as deduced from a correct application of Fourier's law is less than 6%. We also find that the Fourier's law results presented here are nearly identical to those obtained from a widely used ballistic-diffusive approach but analytically much simpler. Although limited to steady-state conditions with spatial variations in one dimension and to a gray model of phonon transport, the results show that Fourier's law can be used for linear transport from the diffusive to the ballistic limit. The results also contribute to an understanding of how heat transport at the nanoscale can be understood in terms of the conceptual framework that has been established for electron transport at the nanoscale.

Modeling steady-state experiments with a scanning electrochemical microscope involving several independent diffusing species using the boundary element method.

PubMed

Sklyar, Oleg; Träuble, Markus; Zhao, Chuan; Wittstock, Gunther

2006-08-17

The BEM algorithm developed earlier for steady-state experiments in the scanning electrochemical microscopy (SECM) feedback mode has been expanded to allow for the treatment of more than one independently diffusing species. This allows the treatment of substrate-generation/tip-collection SECM experiments. The simulations revealed the interrelation of sample layout, local kinetics, imaging conditions, and the quality of the obtained SECM images. Resolution in the SECM SG/TC images has been evaluated, and it depends on several factors. For most practical situations, the resolution is limited by the diffusion profiles of the sample. When a dissolved compound is converted at the sample (e.g., oxygen reduction or enzymatic reaction at the sample), the working distance should be significantly larger than in SECM feedback experiments (ca. 3 r(T) for RG = 5) in order to avoid diffusional shielding of the active regions on the sample by the UME body. The resolution ability also depends on the kinetics of the active regions. The best resolution can be expected if all the active regions cause the same flux. In one simulated example, which might mimic a possible scenario of a low-density protein array, considerable compromises in the resolving power, were noted when the flux from two neighboring spots differs by more than a factor of 2.

Finite linear diffusion model for design of overcharge protection for rechargeable lithium batteries

NASA Technical Reports Server (NTRS)

Narayanan, S. R.; Surampudi, S.; Attia, A. I.

1991-01-01

The overcharge condition in secondary lithium batteries employing redox additives for overcharge protection has been theoretically analyzed in terms of a finite linear diffusion model. The analysis leads to expressions relating the steady-state overcharge current density and cell voltage to the concentration, diffusion coefficient, standard reduction potential of the redox couple, and interelectrode distance. The model permits the estimation of the maximum permissible overcharge rate for any chosen set of system conditions. The model has been experimentally verified using 1,1-prime-dimethylferrocene as a redox additive. The theoretical results may be exploited in the design and optimization of overcharge protection by the redox additive approach.

Candle flames in microgravity

NASA Technical Reports Server (NTRS)

Dietrich, D. L.; Ross, H. D.; Tien, J. S.

1995-01-01

The candle flame in both normal and microgravity is non-propagating. In microgravity, however, the candle flame is also non-convective where (excepting Stefan flow) pure diffusion is the only transport mode. It also shares many characteristics with another classical problem, that of isolated droplet combustion. Given their qualitatively similar flame shapes and the required heat feedback to condensed-phase fuels, the gas-phase flow and temperature fields should be relatively similar for a droplet and a candle in reduced gravity. Unless the droplet diameter is maintained somehow through non-intrusive replenishment of fuel, the quasi-steady burning characteristics of a droplet can be maintained for only a few seconds. In contrast, the candle flame in microgravity may achieve a nearly steady state over a much longer time and is therefore ideal for examining a number of combustion-related phenomena. In this paper, we examine candle flame behavior in both short-duration and long-duration, quiescent, microgravity environments. Interest in this type of flame, especially 'candle flames in weightlessness', is demonstrated by very frequent public inquiries. The question is usually posed as 'will a candle flame burn in zero gravity', or, 'will a candle burn indefinitely (or steadily) in zero gravity in a large volume of quiescent air'. Intuitive speculation suggests to some that, in the absence of buoyancy, the accumulation of products in the vicinity of the flame will cause flame extinction. The classical theory for droplet combustion with its spherically-shaped diffusion flame, however, shows that steady combustion is possible in the absence of buoyancy if the chemical kinetics are fast enough. Previous experimental studies of candle flames in reduced and microgravity environments showed the flame could survive for at least 5 seconds, but did not reach a steady state in the available test time.

Diffusive transport in the presence of stochastically gated absorption

NASA Astrophysics Data System (ADS)

Bressloff, Paul C.; Karamched, Bhargav R.; Lawley, Sean D.; Levien, Ethan

2017-08-01

We analyze a population of Brownian particles moving in a spatially uniform environment with stochastically gated absorption. The state of the environment at time t is represented by a discrete stochastic variable k (t )∈{0 ,1 } such that the rate of absorption is γ [1 -k (t )] , with γ a positive constant. The variable k (t ) evolves according to a two-state Markov chain. We focus on how stochastic gating affects the attenuation of particle absorption with distance from a localized source in a one-dimensional domain. In the static case (no gating), the steady-state attenuation is given by an exponential with length constant √{D /γ }, where D is the diffusivity. We show that gating leads to slower, nonexponential attenuation. We also explore statistical correlations between particles due to the fact that they all diffuse in the same switching environment. Such correlations can be determined in terms of moments of the solution to a corresponding stochastic Fokker-Planck equation.

Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium

NASA Astrophysics Data System (ADS)

Horowitz, Jordan M.

2015-07-01

The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochastic thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.

Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium.

PubMed

Horowitz, Jordan M

2015-07-28

The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochastic thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.

Differential equation methods for simulation of GFP kinetics in non-steady state experiments.

PubMed

Phair, Robert D

2018-03-15

Genetically encoded fluorescent proteins, combined with fluorescence microscopy, are widely used in cell biology to collect kinetic data on intracellular trafficking. Methods for extraction of quantitative information from these data are based on the mathematics of diffusion and tracer kinetics. Current methods, although useful and powerful, depend on the assumption that the cellular system being studied is in a steady state, that is, the assumption that all the molecular concentrations and fluxes are constant for the duration of the experiment. Here, we derive new tracer kinetic analytical methods for non-steady state biological systems by constructing mechanistic nonlinear differential equation models of the underlying cell biological processes and linking them to a separate set of differential equations governing the kinetics of the fluorescent tracer. Linking the two sets of equations is based on a new application of the fundamental tracer principle of indistinguishability and, unlike current methods, supports correct dependence of tracer kinetics on cellular dynamics. This approach thus provides a general mathematical framework for applications of GFP fluorescence microscopy (including photobleaching [FRAP, FLIP] and photoactivation to frequently encountered experimental protocols involving physiological or pharmacological perturbations (e.g., growth factors, neurotransmitters, acute knockouts, inhibitors, hormones, cytokines, and metabolites) that initiate mechanistically informative intracellular transients. When a new steady state is achieved, these methods automatically reduce to classical steady state tracer kinetic analysis. © 2018 Phair. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

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

Tipireddy, R.; Stinis, P.; Tartakovsky, A. M.

In this paper, we present a novel approach for solving steady-state stochastic partial differential equations (PDEs) with high-dimensional random parameter space. The proposed approach combines spatial domain decomposition with basis adaptation for each subdomain. The basis adaptation is used to address the curse of dimensionality by constructing an accurate low-dimensional representation of the stochastic PDE solution (probability density function and/or its leading statistical moments) in each subdomain. Restricting the basis adaptation to a specific subdomain affords finding a locally accurate solution. Then, the solutions from all of the subdomains are stitched together to provide a global solution. We support ourmore » construction with numerical experiments for a steady-state diffusion equation with a random spatially dependent coefficient. Lastly, our results show that highly accurate global solutions can be obtained with significantly reduced computational costs.« less

Steady-State Electrodiffusion from the Nernst-Planck Equation Coupled to Local Equilibrium Monte Carlo Simulations.

PubMed

Boda, Dezső; Gillespie, Dirk

2012-03-13

We propose a procedure to compute the steady-state transport of charged particles based on the Nernst-Planck (NP) equation of electrodiffusion. To close the NP equation and to establish a relation between the concentration and electrochemical potential profiles, we introduce the Local Equilibrium Monte Carlo (LEMC) method. In this method, Grand Canonical Monte Carlo simulations are performed using the electrochemical potential specified for the distinct volume elements. An iteration procedure that self-consistently solves the NP and flux continuity equations with LEMC is shown to converge quickly. This NP+LEMC technique can be used in systems with diffusion of charged or uncharged particles in complex three-dimensional geometries, including systems with low concentrations and small applied voltages that are difficult for other particle simulation techniques.

Mechanobiological induction of long-range contractility by diffusing biomolecules and size scaling in cell assemblies

NASA Astrophysics Data System (ADS)

Dasbiswas, K.; Alster, E.; Safran, S. A.

2016-06-01

Mechanobiological studies of cell assemblies have generally focused on cells that are, in principle, identical. Here we predict theoretically the effect on cells in culture of locally introduced biochemical signals that diffuse and locally induce cytoskeletal contractility which is initially small. In steady-state, both the concentration profile of the signaling molecule as well as the contractility profile of the cell assembly are inhomogeneous, with a characteristic length that can be of the order of the system size. The long-range nature of this state originates in the elastic interactions of contractile cells (similar to long-range “macroscopic modes” in non-living elastic inclusions) and the non-linear diffusion of the signaling molecules, here termed mechanogens. We suggest model experiments on cell assemblies on substrates that can test the theory as a prelude to its applicability in embryo development where spatial gradients of morphogens initiate cellular development.

Two-time quantum transport and quantum diffusion.

PubMed

Kleinert, P

2009-05-01

Based on the nonequilibrium Green's function technique, a unified theory is developed that covers quantum transport and quantum diffusion in bulk semiconductors on the same footing. This approach, which is applicable to transport via extended and localized states, extends previous semiphenomenological studies and puts them on a firm microscopic basis. The approach is sufficiently general and applies not only to well-studied quantum-transport problems, but also to models, in which the Hamiltonian does not commute with the dipole operator. It is shown that even for the unified treatment of quantum transport and quantum diffusion in homogeneous systems, all quasimomenta of the carrier distribution function are present and fulfill their specific function. Particular emphasis is put on the double-time nature of quantum kinetics. To demonstrate the existence of robust macroscopic transport effects that have a true double-time character, a phononless steady-state current is identified that appears only beyond the generalized Kadanoff-Baym ansatz.

Transient-state mechanisms of wind-induced burrow ventilation.

PubMed

Turner, J Scott; Pinshow, Berry

2015-01-15

Burrows are common animal habitations, yet living in a burrow presents physiological challenges for its inhabitants because the burrow isolates them from sources and sinks for oxygen, carbon dioxide, water vapor and ammonia. Conventionally, the isolation is thought to be overcome by either diffusion gas exchange within the burrow or some means of capturing wind energy to power steady or quasi-steady bulk flows of air through it. Both are examples of what may be called 'DC' models, namely steady to quasi-steady flows powered by steady to quasi-steady winds. Natural winds, however, are neither steady nor quasi-steady, but are turbulent, with a considerable portion of the energy contained in so-called 'AC' (i.e. unsteady) components, where wind velocity varies chaotically and energy to power gas exchange is stored in some form. Existing DC models of burrow gas exchange do not account for this potentially significant source of energy for ventilation. We present evidence that at least two AC mechanisms operate to ventilate both single-opening burrows (of the Cape skink, Trachylepis capensis) and double-opening model burrows (of Sundevall's jird, Meriones crassus). We propose that consideration of the physiological ecology and evolution of the burrowing habit has been blinkered by the long neglect of AC ventilation. © 2015. Published by The Company of Biologists Ltd.

Pattern Formation in Diffusion Flames Embedded in von Karman Swirling Flows

NASA Technical Reports Server (NTRS)

Nayagam, Vedha

2006-01-01

Pattern formation is observed in nature in many so-called excitable systems that can support wave propagation. It is well-known in the field of combustion that premixed flames can exhibit patterns through differential diffusion mechanism between heat and mass. However, in the case of diffusion flames where fuel and oxidizer are separated initially there have been only a few observations of pattern formation. It is generally perceived that since diffusion flames do not possess an inherent propagation speed they are static and do not form patterns. But in diffusion flames close to their extinction local quenching can occur and produce flame edges which can propagate along stoichiometric surfaces. Recently, we reported experimental observations of rotating spiral flame edges during near-limit combustion of a downward-facing polymethylmethacrylate disk spinning in quiescent air. These spiral flames, though short-lived, exhibited many similarities to patterns commonly found in quiescent excitable media including compound tip meandering motion. Flame disks that grow or shrink with time depending on the rotational speed and in-depth heat loss history of the fuel disk have also been reported. One of the limitations of studying flame patterns with solid fuels is that steady-state conditions cannot be achieved in air at normal atmospheric pressure for experimentally reasonable fuel thickness. As a means to reproduce the flame patterns observed earlier with solid fuels, but under steady-state conditions, we have designed and built a rotating, porous-disk burner through which gaseous fuels can be injected and burned as diffusion flames. The rotating porous disk generates a flow of air toward the disk by a viscous pumping action, generating what is called the von K rm n boundary layer which is of constant thickness over the entire burner disk. In this note we present a map of the various dynamic flame patterns observed during the combustion of methane in air as a function of fuel flow rate and the burner rotational speed.

Glutathionylation-Dependence of Na+-K+-Pump Currents Can Mimic Reduced Subsarcolemmal Na+ Diffusion

PubMed Central

Garcia, Alvaro; Liu, Chia-Chi; Cornelius, Flemming; Clarke, Ronald J.; Rasmussen, Helge H.

2016-01-01

The existence of a subsarcolemmal space with restricted diffusion for Na+ in cardiac myocytes has been inferred from a transient peak electrogenic Na+-K+ pump current beyond steady state on reexposure of myocytes to K+ after a period of exposure to K+-free extracellular solution. The transient peak current is attributed to enhanced electrogenic pumping of Na+ that accumulated in the diffusion-restricted space during pump inhibition in K+-free extracellular solution. However, there are no known physical barriers that account for such restricted Na+ diffusion, and we examined if changes of activity of the Na+-K+ pump itself cause the transient peak current. Reexposure to K+ reproduced a transient current beyond steady state in voltage-clamped ventricular myocytes as reported by others. Persistence of it when the Na+ concentration in patch pipette solutions perfusing the intracellular compartment was high and elimination of it with K+-free pipette solution could not be reconciled with restricted subsarcolemmal Na+ diffusion. The pattern of the transient current early after pump activation was dependent on transmembrane Na+- and K+ concentration gradients suggesting the currents were related to the conformational poise imposed on the pump. We examined if the currents might be accounted for by changes in glutathionylation of the β1 Na+-K+ pump subunit, a reversible oxidative modification that inhibits the pump. Susceptibility of the β1 subunit to glutathionylation depends on the conformational poise of the Na+-K+ pump, and glutathionylation with the pump stabilized in conformations equivalent to those expected to be imposed on voltage-clamped myocytes supported this hypothesis. So did elimination of the transient K+-induced peak Na+-K+ pump current when we included glutaredoxin 1 in patch pipette solutions to reverse glutathionylation. We conclude that transient K+-induced peak Na+-K+ pump current reflects the effect of conformation-dependent β1 pump subunit glutathionylation, not restricted subsarcolemmal diffusion of Na+. PMID:26958887

Glutathionylation-Dependence of Na(+)-K(+)-Pump Currents Can Mimic Reduced Subsarcolemmal Na(+) Diffusion.

PubMed

Garcia, Alvaro; Liu, Chia-Chi; Cornelius, Flemming; Clarke, Ronald J; Rasmussen, Helge H

2016-03-08

The existence of a subsarcolemmal space with restricted diffusion for Na(+) in cardiac myocytes has been inferred from a transient peak electrogenic Na(+)-K(+) pump current beyond steady state on reexposure of myocytes to K(+) after a period of exposure to K(+)-free extracellular solution. The transient peak current is attributed to enhanced electrogenic pumping of Na(+) that accumulated in the diffusion-restricted space during pump inhibition in K(+)-free extracellular solution. However, there are no known physical barriers that account for such restricted Na(+) diffusion, and we examined if changes of activity of the Na(+)-K(+) pump itself cause the transient peak current. Reexposure to K(+) reproduced a transient current beyond steady state in voltage-clamped ventricular myocytes as reported by others. Persistence of it when the Na(+) concentration in patch pipette solutions perfusing the intracellular compartment was high and elimination of it with K(+)-free pipette solution could not be reconciled with restricted subsarcolemmal Na(+) diffusion. The pattern of the transient current early after pump activation was dependent on transmembrane Na(+)- and K(+) concentration gradients suggesting the currents were related to the conformational poise imposed on the pump. We examined if the currents might be accounted for by changes in glutathionylation of the β1 Na(+)-K(+) pump subunit, a reversible oxidative modification that inhibits the pump. Susceptibility of the β1 subunit to glutathionylation depends on the conformational poise of the Na(+)-K(+) pump, and glutathionylation with the pump stabilized in conformations equivalent to those expected to be imposed on voltage-clamped myocytes supported this hypothesis. So did elimination of the transient K(+)-induced peak Na(+)-K(+) pump current when we included glutaredoxin 1 in patch pipette solutions to reverse glutathionylation. We conclude that transient K(+)-induced peak Na(+)-K(+) pump current reflects the effect of conformation-dependent β1 pump subunit glutathionylation, not restricted subsarcolemmal diffusion of Na(+). Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Modeling of tritium transport in a fusion reactor pin-type solid breeder blanket using the diffuse code

NASA Astrophysics Data System (ADS)

Martin, Rodger; Ghoniem, Nasr M.

1986-11-01

A pin-type fusion reactor blanket is designed using γ-LiAlO 2 solid tritium breeder. Tritium transport and diffusive inventory are modeled using the DIFFUSE code. Two approaches are used to obtain characteristic LiAlO 2 grain temperatures. DIFFUSE provides intragranular diffusive inventories which scale up to blanket size. These results compare well with a numerical analysis, giving a steady-state blanket tritium inventory of 13 g. Start-up transient inventories are modeled using DIFFUSE for both full and restricted coolant flow. Full flow gives rapid inventory buildup while restricted flow prevents this buildup. Inventories after shutdown are modeled: reduced cooling is found to have little effect on removing tritium, but preheating rapidly purges inventory. DIFFUSE provides parametric modeling of solid breeder density, radiation, and surface effects. 100% dense pins are found to give massive inventory and marginal tritium release. Only large trapping energies and concentrations significantly increase inventory. Diatomic surface recombination is only significant at high temperatures.

Correcting for diffusion in carbon-14 dating of ground water

USGS Publications Warehouse

Sanford, W.E.

1997-01-01

It has generally been recognized that molecular diffusion can be a significant process affecting the transport of carbon-14 in the subsurface when occurring either from a permeable aquifer into a confining layer or from a fracture into a rock matrix. An analytical solution that is valid for steady-state radionuclide transport through fractured rock is shown to be applicable to many multilayered aquifer systems. By plotting the ratio of the rate of diffusion to the rate of decay of carbon-14 over the length scales representative of several common hydrogeologic settings, it is demonstrated that diffusion of carbon-14 should often be not only a significant process, but a dominant one relative to decay. An age-correction formula is developed and applied to the Bangkok Basin of Thailand, where a mean carbon-14-based age of 21,000 years was adjusted to 11,000 years to account for diffusion. This formula and its graphical representation should prove useful for many studies, for they can be used first to estimate the potential role of diffusion and then to make a simple first-order age correction if necessary.It has generally been recognized that molecular diffusion can be a significant process affecting the transport of carbon-14 in the subsurface when occurring either from a permeable aquifer into a confining layer or from a fracture into a rock matrix. An analytical solution that is valid for steady-state radionuclide transport through fractured rock is shown to be applicable to many multilayered aquifer systems. By plotting the ratio of the rate of diffusion to the rate of decay of carbon-14 over the length scales representative of several common hydrogeologic settings, it is demonstrated that diffusion of carbon-14 should often be not only a significant process, but a dominant one relative to decay. An age-correction formula is developed and applied to the Bangkok Basin of Thailand, where a mean carbon-14-based age of 21,000 years was adjusted to 11,000 years to account for diffusion. This formula and its graphical representation should prove useful for many studies, for they can be used first to estimate the potential role of diffusion and then to make a simple first-order age correction if necessary.

Distribution of active faulting along orogenic wedges: Minimum-work models and natural analogue

NASA Astrophysics Data System (ADS)

Yagupsky, Daniel L.; Brooks, Benjamin A.; Whipple, Kelin X.; Duncan, Christopher C.; Bevis, Michael

2014-09-01

Numerical 2-D models based on the principle of minimum work were used to examine the space-time distribution of active faulting during the evolution of orogenic wedges. A series of models focused on thin-skinned thrusting illustrates the effects of arid conditions (no erosion), unsteady state conditions (accretionary influx greater than erosional efflux) and steady state conditions (accretionary influx balances erosional efflux), on the distribution of fault activity. For arid settings, a general forward accretion sequence prevails, although a significant amount of internal deformation is registered: the resulting fault pattern is a rather uniform spread along the profile. Under fixed erosional efficiency settings, the frontal advance of the wedge-front is inhibited, reaching a steady state after a given forward propagation. Then, the applied shortening is consumed by surface ruptures over a narrow frontal zone. Under a temporal increase in erosional efficiency (i.e., transient non-steady state mass balance conditions), a narrowing of the synthetic wedge results; a rather diffuse fault activity distribution is observed during the deformation front retreat. Once steady balanced conditions are reached, a single long-lived deformation front prevails. Fault activity distribution produced during the deformation front retreat of the latter scenario, compares well with the structural evolution and hinterlandward deformation migration identified in southern Bolivian Subandes (SSA) from late Miocene to present. This analogy supports the notion that the SSA is not in steady state, but is rather responding to an erosional efficiency increase since late Miocene. The results shed light on the impact of different mass balance conditions on the vastly different kinematics found in mountain ranges, suggesting that those affected by growing erosion under a transient unbalanced mass flux condition tend to distribute deformation along both frontal and internal faults, while others under balanced conditions would display focused deformation on a limited number of steady structures.

Modeling Uncertainty in Steady State Diffusion Problems via Generalized Polynomial Chaos

DTIC Science & Technology

2002-07-25

Some basic hypergeometric polynomials that generalize Jacobi polynomials . Memoirs Amer. Math. Soc., AMS... orthogonal polynomial functionals from the Askey scheme, as a generalization of the original polynomial chaos idea of Wiener (1938). A Galerkin projection...1) by generalized polynomial chaos expansion, where the uncertainties can be introduced through κ, f , or g, or some combinations. It is worth

On the dynamics of some grid adaption schemes

NASA Technical Reports Server (NTRS)

Sweby, Peter K.; Yee, Helen C.

1994-01-01

The dynamics of a one-parameter family of mesh equidistribution schemes coupled with finite difference discretisations of linear and nonlinear convection-diffusion model equations is studied numerically. It is shown that, when time marched to steady state, the grid adaption not only influences the stability and convergence rate of the overall scheme, but can also introduce spurious dynamics to the numerical solution procedure.

Experimental investigation on the carbon isotope fractionation of methane during gas migration by diffusion through sedimentary rocks at elevated temperature and pressure

NASA Astrophysics Data System (ADS)

Zhang, Tongwei; Krooss, Bernhard M.

2001-08-01

Molecular transport (diffusion) of methane in water-saturated sedimentary rocks results in carbon isotope fractionation. In order to quantify the diffusive isotope fractionation effect and its dependence on total organic carbon (TOC) content, experimental measurements have been performed on three natural shale samples with TOC values ranging from 0.3 to 5.74%. The experiments were conducted at 90°C and fluid pressures of 9 MPa (90 bar). Based on the instantaneous and cumulative composition of the diffused methane, effective diffusion coefficients of the 12CH4 and 13CH4 species, respectively, have been calculated. Compared with the carbon isotopic composition of the source methane (δ13C1 = -39.1‰), a significant depletion of the heavier carbon isotope (13C) in the diffused methane was observed for all three shales. The degree of depletion is highest during the initial non-steady state of the diffusion process. It then gradually decreases and reaches a constant difference (Δ δ = δ13Cdiff -δ13Csource) when approaching the steady-state. The degree of the isotopic fractionation of methane due to molecular diffusion increases with the TOC content of the shales. The carbon isotope fractionation of methane during molecular migration results practically exclusively from differences in molecular mobility (effective diffusion coefficients) of the 12CH4 and 13CH4 entities. No measurable solubility fractionation was observed. The experimental isotope-specific diffusion data were used in two hypothetical scenarios to illustrate the extent of isotopic fractionation to be expected as a result of molecular transport in geological systems with shales of different TOC contents. The first scenario considers the progression of a diffusion front from a constant source (gas reservoir) into a homogeneous ;semi-infinite; shale caprock over a period of 10 Ma. In the second example, gas diffusion across a 100 m caprock sequence is analyzed in terms of absolute quantities and isotope fractionation effects. The examples demonstrate that methane losses by molecular diffusion are small in comparison with the contents of commercial size gas accumulations. The degree of isotopic fractionation is related inversely to the quantity of diffused gas so that strong fractionation effects are only observed for relatively small portions of gas. The experimental data can be readily used in numerical basin analysis to examine the effects of diffusion-related isotopic fractionation on the composition of natural gas reservoirs.

Magnetoconvection dynamics in a stratified layer. 1: Two-dimensional simulations and visualization

NASA Astrophysics Data System (ADS)

Lantz, Steven R.; Sudan, R. N.

1995-03-01

To gain insight in the problem of fluid convection below solar photosphere, time-dependent magnetohydrodynamic convection is studied by numerical simulation to the magneto-anelastic equations, a model appropiate for low Mach numbers. Numerical solutions to the equations are generated on a two-dimensional Cartesian mesh by a finite-difference, predictor-corrector algorithm. The thermodynamic properties of the fluid are held constant at the rigid, stress-free top and bottom boundaries of the computational box, while lateral boundaries are treated as periodic. In most runs the background polytropic fluid configuration is held fixed at Rayleigh number R = 5.44 times the critical value, Prandtl number P = 1.8, and aspect ratio a = 1, while the magnetic parameters are allowed to vary. The resulting dynamical behavior is shown to be strongly influenced by a horizontal magnetic field which is imposed at the bottom boundary. As the field strength increases from zero, an initially unsteady 'single-roll' state, featuring complex time dependence is replaced by a steady 'traveling-wave tilted state; then, an oscillatory or 'sloshing' state; then, a steady two-poll state with no tilting; and finally, a stationary state. Because the magnetic field is matched onto a potential field at the top boundary, it can penetrate into the nonconducting region above. By varying a magnetic diffusivity, the concentrations of weak magnetic fields at the top of these flows can be shown to be explainable in terms of an advection-diffusion balance.

Sampling Soil CO2 for Isotopic Flux Partitioning: Non Steady State Effects and Methodological Biases

NASA Astrophysics Data System (ADS)

Snell, H. S. K.; Robinson, D.; Midwood, A. J.

2014-12-01

Measurements of δ13C of soil CO2 are used to partition the surface flux into autotrophic and heterotrophic components. Models predict that the δ13CO2 of the soil efflux is perturbed by non-steady state (NSS) diffusive conditions. These could be large enough to render δ13CO2 unsuitable for accurate flux partitioning. Field studies sometimes find correlations between efflux δ13CO2 and flux or temperature, or that efflux δ13CO2 is not correlated as expected with biological drivers. We tested whether NSS effects in semi-natural soil were comparable with those predicted. We compared chamber designs and their sensitivity to changes in efflux δ13CO2. In a natural soil mesocosm, we controlled temperature to generate NSS conditions of CO2 production. We measured the δ13C of soil CO2 using in situ probes to sample the subsurface, and dynamic and forced-diffusion chambers to sample the surface efflux. Over eight hours we raised soil temperature by 4.5 OC to increase microbial respiration. Subsurface CO2 concentration doubled, surface efflux became 13C-depleted by 1 ‰ and subsurface CO2 became 13C-enriched by around 2 ‰. Opposite changes occurred when temperature was lowered and CO2 production was decreasing. Different chamber designs had inherent biases but all detected similar changes in efflux δ13CO2, which were comparable to those predicted. Measurements using dynamic chambers were more 13C-enriched than expected, probably due to advection of CO2 into the chamber. In the mesocosm soil, δ13CO2 of both efflux and subsurface was determined by physical processes of CO2 production and diffusion. Steady state conditions are unlikely to prevail in the field, so spot measurements of δ13CO2 and assumptions based on the theoretical 4.4 ‰ diffusive fractionation will not be accurate for estimating source δ13CO2. Continuous measurements could be integrated over a period suitable to reduce the influence of transient NSS conditions. It will be difficult to disentangle biologically driven changes in soil δ13CO2 from physical controls, particularly as they occur on similar timescales and are driven by the same environmental variables, such as temperature, moisture and daylight.

Pore pressure diffusion and the hydrologic response of nearly saturated, thin landslide deposits of rainfall

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

Haneberg, W.C.

1991-11-01

Previous workers have correlated slope failures during rainstorms with rainfall intensity, rainfall duration, and seasonal antecedent rainfall. This note shows how such relationships can be interpreted using a periodic steady-state solution to the well-known linear pressure diffusion equation. Normalization of the governing equation yields a characteristic response time that is a function of soil thickness, saturated hydraulic conductivity, and pre-storm effective porosity, and which is analogous to the travel time of a piston wetting front. The effects of storm frequency and magnitude are also successfully quantified using dimensionless attenuation factors and lag times.

Subsurface Growth of CoSi2 by Deposition of Co on Si-Capped CoSi2 Seed Regions

NASA Technical Reports Server (NTRS)

Fathauer, R. W.; George, T.; Pike, W. T.

1991-01-01

At a growth temperature of 800 C, Co deposited on Si(111) diffuses through a Si cap and exhibits oriented growth on buried CoSi2 grains, a process referred to as endotaxy. This occurs preferentially to surface nucleation of CoSi2 provided the thickness of the Si cap is less than a critical value between 100 and 200 nm for a deposition rate of 0.01 nm/s. Steady-state endotaxy is modeled under the assumption that the process is controlled by Co diffusion.

Twirling and Whirling: Viscous Dynamics of Rotating Elastica

NASA Astrophysics Data System (ADS)

Powers, Thomas R.; Wolgemuth, Charles W.; Goldstein, Raymond E.

1999-11-01

Motivated by diverse phenomena in cellular biophysics, including bacterial flagellar motion and DNA transcription and replication, we study the overdamped nonlinear dynamics of a rotationally forced filament with twist and bend elasticity. The competition between twist diffusion and writhing instabilities is described by a novel pair of coupled PDEs for twist and bend evolution. Analytical and numerical methods elucidate the twist-bend coupling and reveal two dynamical regimes separated by a Hopf bifurcation: (i) diffusion-dominated axial rotation, or twirling, and (ii) steady-state crankshafting motion, or whirling. The consequences of these phenomena for self-propulsion are investigated, and experimental tests proposed.

Three-temperature plasma shock solutions with gray radiation diffusion

DOE PAGES

Johnson, Bryan M.; Klein, Richard I.

2016-04-19

Here we discuss the effects of radiation on the structure of shocks in a fully ionized plasma are investigated by solving the steady-state fluid equations for ions, electrons, and radiation. The electrons and ions are assumed to have the same bulk velocity but separate temperatures, and the radiation is modeled with the gray diffusion approximation. Both electron and ion conduction are included, as well as ion viscosity. When the material is optically thin, three-temperature behavior occurs. When the diffusive flux of radiation is important but radiation pressure is not, two-temperature behavior occurs, with the electrons strongly coupled to the radiation.more » Since the radiation heats the electrons on length scales that are much longer than the electron–ion Coulomb coupling length scale, these solutions resemble radiative shock solutions rather than plasma shock solutions that neglect radiation. When radiation pressure is important, all three components are strongly coupled. Results with constant values for the transport and coupling coefficients are compared to a full numerical simulation with a good match between the two, demonstrating that steady shock solutions constitute a straightforward and comprehensive verification test methodology for multi-physics numerical algorithms.« less

Three-temperature plasma shock solutions with gray radiation diffusion

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

Johnson, Bryan M.; Klein, Richard I.

Here we discuss the effects of radiation on the structure of shocks in a fully ionized plasma are investigated by solving the steady-state fluid equations for ions, electrons, and radiation. The electrons and ions are assumed to have the same bulk velocity but separate temperatures, and the radiation is modeled with the gray diffusion approximation. Both electron and ion conduction are included, as well as ion viscosity. When the material is optically thin, three-temperature behavior occurs. When the diffusive flux of radiation is important but radiation pressure is not, two-temperature behavior occurs, with the electrons strongly coupled to the radiation.more » Since the radiation heats the electrons on length scales that are much longer than the electron–ion Coulomb coupling length scale, these solutions resemble radiative shock solutions rather than plasma shock solutions that neglect radiation. When radiation pressure is important, all three components are strongly coupled. Results with constant values for the transport and coupling coefficients are compared to a full numerical simulation with a good match between the two, demonstrating that steady shock solutions constitute a straightforward and comprehensive verification test methodology for multi-physics numerical algorithms.« less

Effects of cell geometry on reversible vesicular transport

NASA Astrophysics Data System (ADS)

Karamched, Bhargav R.; Bressloff, Paul C.

2017-02-01

A major question in cell biology concerns the biophysical mechanism underlying delivery of newly synthesized macromolecules to specific targets within a cell. A recent modeling paper investigated this phenomenon in the context of vesicular delivery to en passant synapses in neurons (Bressloff and Levien 2015 Phys. Rev. Lett.). It was shown how reversibility in vesicular delivery to synapses could play a crucial role in achieving uniformity in the distribution of resources throughout an axon, which is consistent with experimental observations in C. elegans and Drosophila. In this work we generalize the previous model by investigating steady-state vesicular distributions on a Cayley tree, a disk, and a sphere. We show that for irreversible transport on a tree, branching increases the rate of decay of the steady-state distribution of vesicles. On the other hand, the steady-state profiles for reversible transport are similar to the 1D case. In the case of higher-dimensional geometries, we consider two distinct types of radially-symmetric microtubular network: (i) a continuum and (ii) a discrete set. In the continuum case, we model the motor-cargo dynamics using a phenomenologically-based advection-diffusion equation in polar (2D) and spherical (3D) coordinates. On the other-hand, in the discrete case, we derive the population model from a stochastic model of a single motor switching between ballistic motion and diffusion. For all of the geometries we find that reversibility in vesicular delivery to target sites allows for a more uniform distribution of vesicles, provided that cargo-carrying motors are not significantly slowed by their cargo. In each case we characterize the loss of uniformity as a function of the dispersion in velocities.

Effect of a solid solution on the steady-state creep behavior of an aluminum matrix composite

NASA Astrophysics Data System (ADS)

Pandey, A. B.; Mishra, R. S.; Mahajan, Y. R.

1996-02-01

The effect of an alloying element, 4 wt pct Mg, on the steady-state creep behavior of an Al-10 vol pct SiCp composite has been studied. The Al-4 wt pct Mg-10 vol pct SiCp composite has been tested under compression creep in the temperature range 573 to 673 K. The steady-state creep data of the composite show a transition in the creep behavior (regions I and II) depending on the applied stress at 623 and 673 K. The low stress range data (region I) exhibit a stress exponent of about 7 and an activation energy of 76.5 kJ mol-1. These values conform to the dislocation-climb-controlled creep model with pipe diffusion as a rate-controlling mechanism. The intermediate stress range data (region II) exhibit high and variable apparent stress exponents, 18 to 48, and activation energy, 266 kJ mol-1, at a constant stress, σ = 50 MPa, for creep of this composite. This behavior can be rationalized using a substructure-invariant model with a stress exponent of 8 and an activation energy close to the lattice self-diffusion of aluminum together with a threshold stress. The creep data of the Al-Mg-A12O3f composite reported by Dragone and Nix also conform to the substructure-invariant model. The threshold stress and the creep strength of the Al-Mg-SiCp, composite are compared with those of the Al-Mg-Al2O3f and 6061 Al-SiCp.w, composites and discussed in terms of the load-transfer mechanism. Magnesium has been found to be very effective in improving the creep resistance of the Al-SiCp composite.

Adsorption with biodegradation for decolorization of reactive black 5 by Funalia trogii 200800 on a fly ash-chitosan medium in a fluidized bed bioreactor-kinetic model and reactor performance.

PubMed

Lin, Yen-Hui; Lin, Wen-Fan; Jhang, Kai-Ning; Lin, Pei-Yu; Lee, Mong-Chuan

2013-02-01

A non-steady-state mathematical model system for the kinetics of adsorption and biodegradation of reactive black 5 (RB5) by Funalia trogii (F. trogii) ATCC 200800 biofilm on fly ash-chitosan bead in the fluidized bed process was derived. The mechanisms in the model system included adsorption by fly ash-chitosan beads, biodegradation by F. trogii cells and mass transport diffusion. Batch kinetic tests were independently performed to determine surface diffusivity of RB5, adsorption parameters for RB5 and biokinetic parameters of F. trogii ATCC 200800. A column test was conducted using a continuous-flow fluidized bed reactor with a recycling pump to approximate a completely-mixed flow reactor for model verification. The experimental results indicated that F. trogii biofilm bioregenerated the fly ash-chitosan beads after attached F. trogii has grown significantly. The removal efficiency of RB5 was about 95 % when RB5 concentration in the effluent was approximately 0.34 mg/L at a steady-state condition. The concentration of suspended F. trogii cells reached up to about 1.74 mg/L while the thickness of attached F. trogii cells was estimated to be 80 μm at a steady-state condition by model prediction. The comparisons of experimental data and model prediction show that the model system for adsorption and biodegradation of RB5 can predict the experimental results well. The approaches of experiments and mathematical modeling in this study can be applied to design a full-scale fluidized bed process to treat reactive dye in textile wastewater.

Dynamic scaling for the growth of non-equilibrium fluctuations during thermophoretic diffusion in microgravity

DOE PAGES

Cerbino, Roberto; Sun, Yifei; Donev, Aleksandar; ...

2015-09-30

Diffusion processes are widespread in biological and chemical systems, where they play a fundamental role in the exchange of substances at the cellular level and in determining the rate of chemical reactions. Recently, the classical picture that portrays diffusion as random uncorrelated motion of molecules has been revised, when it was shown that giant non-equilibrium fluctuations develop during diffusion processes. Under microgravity conditions and at steady-state, non-equilibrium fluctuations exhibit scale invariance and their size is only limited by the boundaries of the system. Here in this work, we investigate the onset of non-equilibrium concentration fluctuations induced by thermophoretic diffusion inmore » microgravity, a regime not accessible to analytical calculations but of great relevance for the understanding of several natural and technological processes. A combination of state of the art simulations and experiments allows us to attain a fully quantitative description of the development of fluctuations during transient diffusion in microgravity. Both experiments and simulations show that during the onset the fluctuations exhibit scale invariance at large wave vectors. In a broader range of wave vectors simulations predict a spinodal-like growth of fluctuations, where the amplitude and length-scale of the dominant mode are determined by the thickness of the diffuse layer.« less

Dynamic scaling for the growth of non-equilibrium fluctuations during thermophoretic diffusion in microgravity

PubMed Central

Cerbino, Roberto; Sun, Yifei; Donev, Aleksandar; Vailati, Alberto

2015-01-01

Diffusion processes are widespread in biological and chemical systems, where they play a fundamental role in the exchange of substances at the cellular level and in determining the rate of chemical reactions. Recently, the classical picture that portrays diffusion as random uncorrelated motion of molecules has been revised, when it was shown that giant non-equilibrium fluctuations develop during diffusion processes. Under microgravity conditions and at steady-state, non-equilibrium fluctuations exhibit scale invariance and their size is only limited by the boundaries of the system. In this work, we investigate the onset of non-equilibrium concentration fluctuations induced by thermophoretic diffusion in microgravity, a regime not accessible to analytical calculations but of great relevance for the understanding of several natural and technological processes. A combination of state of the art simulations and experiments allows us to attain a fully quantitative description of the development of fluctuations during transient diffusion in microgravity. Both experiments and simulations show that during the onset the fluctuations exhibit scale invariance at large wave vectors. In a broader range of wave vectors simulations predict a spinodal-like growth of fluctuations, where the amplitude and length-scale of the dominant mode are determined by the thickness of the diffuse layer. PMID:26419420

Dynamic scaling for the growth of non-equilibrium fluctuations during thermophoretic diffusion in microgravity.

PubMed

Cerbino, Roberto; Sun, Yifei; Donev, Aleksandar; Vailati, Alberto

2015-09-30

Diffusion processes are widespread in biological and chemical systems, where they play a fundamental role in the exchange of substances at the cellular level and in determining the rate of chemical reactions. Recently, the classical picture that portrays diffusion as random uncorrelated motion of molecules has been revised, when it was shown that giant non-equilibrium fluctuations develop during diffusion processes. Under microgravity conditions and at steady-state, non-equilibrium fluctuations exhibit scale invariance and their size is only limited by the boundaries of the system. In this work, we investigate the onset of non-equilibrium concentration fluctuations induced by thermophoretic diffusion in microgravity, a regime not accessible to analytical calculations but of great relevance for the understanding of several natural and technological processes. A combination of state of the art simulations and experiments allows us to attain a fully quantitative description of the development of fluctuations during transient diffusion in microgravity. Both experiments and simulations show that during the onset the fluctuations exhibit scale invariance at large wave vectors. In a broader range of wave vectors simulations predict a spinodal-like growth of fluctuations, where the amplitude and length-scale of the dominant mode are determined by the thickness of the diffuse layer.

Turing instability in reaction-diffusion models on complex networks

NASA Astrophysics Data System (ADS)

Ide, Yusuke; Izuhara, Hirofumi; Machida, Takuya

2016-09-01

In this paper, the Turing instability in reaction-diffusion models defined on complex networks is studied. Here, we focus on three types of models which generate complex networks, i.e. the Erdős-Rényi, the Watts-Strogatz, and the threshold network models. From analysis of the Laplacian matrices of graphs generated by these models, we numerically reveal that stable and unstable regions of a homogeneous steady state on the parameter space of two diffusion coefficients completely differ, depending on the network architecture. In addition, we theoretically discuss the stable and unstable regions in the cases of regular enhanced ring lattices which include regular circles, and networks generated by the threshold network model when the number of vertices is large enough.

Two species drag/diffusion model for energetic particle driven modes

NASA Astrophysics Data System (ADS)

Aslanyan, V.; Sharapov, S. E.; Spong, D. A.; Porkolab, M.

2017-12-01

A nonlinear bump-on-tail model for the growth and saturation of energetic particle driven plasma waves has been extended to include two populations of fast particles—one dominated by dynamical friction at the resonance and the other by velocity space diffusion. The resulting temporal evolution of the wave amplitude and frequency depends on the relative weight of the two populations. The two species model is applied to burning plasma with drag-dominated alpha particles and diffusion-dominated ICRH accelerated minority ions, showing the stabilization of bursting modes. The model also suggests an explanation for the recent observations on the TJ-II stellarator, where Alfvén Eigenmodes transition between steady state and bursting as the magnetic configuration varied.

Transverse particle acceleration and diffusion in a planetary magnetic field

NASA Technical Reports Server (NTRS)

Barbosa, D. D.

1994-01-01

A general model of particle acceleration by plasma waves coupled with adiabatic radial diffusion in a planetary magnetic field is developed. The model assumes that a spectrum of lower hybird waves is present to resonantly accelerate ions transverse to the magnetic field. The steady state Green's function for the combined radial diffusion and wave acceleration equation is found in terms of a series expansion. The results provide a rigorous demonstration of how a quasi-Maxwellian distribution function is formed in the absence of particle collisons and elucidate the nature of turbulent heating of magnetospheric plasmas. The solution is applied to the magnetosphere of Neptune for which a number of examples are given illustrating how the spectrum of pickup N(+) ions from Triton evolves.

Multi-variable mathematical models for the air-cathode microbial fuel cell system

DOE PAGES

Ou, Shiqi; Kashima, Hiroyuki; Aaron, Douglas S.; ...

2016-03-10

This research adopted the version control system into the model construction for the single chamber air-cathode microbial fuel cell (MFC) system, to understand the interrelation of biological, chemical, and electrochemical reactions. The anodic steady state model was used to consider the chemical species diffusion and electric migration influence to the MFC performance. In the cathodic steady state model, the mass transport and reactions in a multi-layer, abiotic cathode and multi-bacteria cathode biofilm were simulated. Transport of hydroxide was assumed for cathodic pH change. This assumption is an alternative to the typical notion of proton consumption during oxygen reduction to explainmore » elevated cathode pH. The cathodic steady state model provided the power density and polarization curve performance results that can be compared to an experimental MFC system. Another aspect we considered was the relative contributions of platinum catalyst and microbes on the cathode to the oxygen reduction reaction (ORR). We found simulation results showed that the biocatalyst in a cathode that includes a Pt/C catalyst likely plays a minor role in ORR, contributing up to 8% of the total power calculated by the models.« less

Na/sup +/-independent, phloretin-sensitive monosaccharide transport system in isolated intestinal epithelial cells. [Chickens

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

Kimmich, G.A.; Randles, J.

1975-01-01

A monosaccharide transport system in addition to the active Na/sup +/-dependent system characteristic of the brush border surface of vertebrate intestinal tissue has been identified in isolated chick intestinal epithelial cells. The newly described system differs in several characteristics from the Na/sup +/-dependent process, including function in the absence of Na/sup +/; a high sensitivity to phloretin, relative insensitivity to phlorizin; different substrate specificity; and a very high K/sub T/ and V/sub max/. The system apparently functions only in a facilitated diffusion manner so that it serves to move monosaccharide across the cell membrane down its chemical gradient. An appreciablemore » fraction of total sugar efflux occurs via the Na/sup +/-independent carrier from cells which have accumulated sugar to a steady state. Phloretin selectively blocks this efflux so that a normal steady-state sugar gradient of seven- to eightfold is transformed to a new steady-state gradient which is greater than 14-fold. Locus of the new system is tentatively ascribed to the serosal cell surface where it would serve for monosaccharide transfer between enterocyte and lamina propria of the villus. (auth)« less

A theory of growing crystalline nanorods - Mode I

NASA Astrophysics Data System (ADS)

Du, Feng; Huang, Hanchen

2018-08-01

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

Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium

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

Horowitz, Jordan M., E-mail: jordan.horowitz@umb.edu

The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochasticmore » thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.« less

Modeling and experimental examination of water level effects on radon exhalation from fragmented uranium ore.

PubMed

Ye, Yong-Jun; Dai, Xin-Tao; Ding, De-Xin; Zhao, Ya-Li

2016-12-01

In this study, a one-dimensional steady-state mathematical model of radon transport in fragmented uranium ore was established according to Fick's law and radon transfer theory in an air-water interface. The model was utilized to obtain an analytical solution for radon concentration in the air-water, two-phase system under steady state conditions, as well as a corresponding radon exhalation rate calculation formula. We also designed a one-dimensional experimental apparatus for simulating radon diffusion migration in the uranium ore with various water levels to verify the mathematical model. The predicted results were in close agreement with the measured results, suggesting that the proposed model can be readily used to determine radon concentrations and exhalation rates in fragmented uranium ore with varying water levels. Copyright © 2016. Published by Elsevier Ltd.

Two-dimensional description of surface-bounded exospheres with application to the migration of water molecules on the Moon

NASA Astrophysics Data System (ADS)

Schorghofer, Norbert

2015-05-01

On the Moon, water molecules and other volatiles are thought to migrate along ballistic trajectories. Here, this migration process is described in terms of a two-dimensional partial differential equation for the surface concentration, based on the probability distribution of thermal ballistic hops. A random-walk model, a corresponding diffusion coefficient, and a continuum description are provided. In other words, a surface-bounded exosphere is described purely in terms of quantities on the surface, which can provide computational and conceptual advantages. The derived continuum equation can be used to calculate the steady-state distribution of the surface concentration of volatile water molecules. An analytic steady-state solution is obtained for an equatorial ring; it reveals the width and mass of the pileup of molecules at the morning terminator.

Evaluation of in vitro percutaneous absorption of lorazepam and clonazepam from hydro-alcoholic gel formulations.

PubMed

Puglia, C; Bonina, F; Trapani, G; Franco, M; Ricci, M

2001-10-09

Clonazepam and lorazepam are two anxiolytics, antidepressant agents, having suitable features for transdermal delivery. The objectives of this study were to evaluate the in vitro percutaneous absorption of these drugs through excised human skin (stratum corneum and epidermis, SCE) and to determine their in vitro permeation behavior from a series of hydro-alcoholic gel formulations containing various enhancing agents. The best permeation profile was obtained for both drugs applying them together with Azone in combination with propylene glycol (PG): these enhancers were able to increase the clonazepam and lorazepam percutaneous fluxes at steady-state about threefold, compared to the free enhancer formulations (Control). To explain the mechanism of the used promoters, the benzodiazepine diffusion and partitioning coefficients from the gel containing the enhancers were calculated. The results indicated that the Azone in combination with PG could act by increasing the benzodiazepine diffusion coefficients, Transcutol increased only the SC/vehicle partition coefficients, limonene in combination with PG appeared to increase both partition and diffusion coefficients moderately, while PG did not increase both the parameters. Furthermore, to evaluate the potential application of tested benzodiazepine formulations containing Azone in combination with PG using the flux values from the in vitro experiments, the corresponding steady-state plasma concentrations (C(SS)) were calculated. The obtained calculated C(SS) values are within the lorazepam therapeutic range and suggest that transdermal delivery of this drug could be regarded as feasible.

Moments of action provide insight into critical times for advection-diffusion-reaction processes.

PubMed

Ellery, Adam J; Simpson, Matthew J; McCue, Scott W; Baker, Ruth E

2012-09-01

Berezhkovskii and co-workers introduced the concept of local accumulation time as a finite measure of the time required for the transient solution of a reaction-diffusion equation to effectively reach steady state [Biophys J. 99, L59 (2010); Phys. Rev. E 83, 051906 (2011)]. Berezhkovskii's approach is a particular application of the concept of mean action time (MAT) that was introduced previously by McNabb [IMA J. Appl. Math. 47, 193 (1991)]. Here, we generalize these previous results by presenting a framework to calculate the MAT, as well as the higher moments, which we call the moments of action. The second moment is the variance of action time, the third moment is related to the skew of action time, and so on. We consider a general transition from some initial condition to an associated steady state for a one-dimensional linear advection-diffusion-reaction partial differential equation (PDE). Our results indicate that it is possible to solve for the moments of action exactly without requiring the transient solution of the PDE. We present specific examples that highlight potential weaknesses of previous studies that have considered the MAT alone without considering higher moments. Finally, we also provide a meaningful interpretation of the moments of action by presenting simulation results from a discrete random-walk model together with some analysis of the particle lifetime distribution. This work shows that the moments of action are identical to the moments of the particle lifetime distribution for certain transitions.

Analytical approximations for spatial stochastic gene expression in single cells and tissues

PubMed Central

Smith, Stephen; Cianci, Claudia; Grima, Ramon

2016-01-01

Gene expression occurs in an environment in which both stochastic and diffusive effects are significant. Spatial stochastic simulations are computationally expensive compared with their deterministic counterparts, and hence little is currently known of the significance of intrinsic noise in a spatial setting. Starting from the reaction–diffusion master equation (RDME) describing stochastic reaction–diffusion processes, we here derive expressions for the approximate steady-state mean concentrations which are explicit functions of the dimensionality of space, rate constants and diffusion coefficients. The expressions have a simple closed form when the system consists of one effective species. These formulae show that, even for spatially homogeneous systems, mean concentrations can depend on diffusion coefficients: this contradicts the predictions of deterministic reaction–diffusion processes, thus highlighting the importance of intrinsic noise. We confirm our theory by comparison with stochastic simulations, using the RDME and Brownian dynamics, of two models of stochastic and spatial gene expression in single cells and tissues. PMID:27146686

Diffusion and solubility coefficients determined by permeation and immersion experiments for organic solvents in HDPE geomembrane.

PubMed

Chao, Keh-Ping; Wang, Ping; Wang, Ya-Ting

2007-04-02

The chemical resistance of eight organic solvents in high density polyethylene (HDPE) geomembrane has been investigated using the ASTM F739 permeation method and the immersion test at different temperatures. The diffusion of the experimental organic solvents in HDPE geomembrane was non-Fickian kinetic, and the solubility coefficients can be consistent with the solubility parameter theory. The diffusion coefficients and solubility coefficients determined by the ASTM F739 method were significantly correlated to the immersion tests (p<0.001). The steady state permeation rates also showed a good agreement between ASTM F739 and immersion experiments (r(2)=0.973, p<0.001). Using a one-dimensional diffusion equation based on Fick's second law, the diffusion and solubility coefficients obtained by immersion test resulted in over estimates of the ASTM F739 permeation results. The modeling results indicated that the diffusion and solubility coefficients should be obtained using ASTM F739 method which closely simulates the practical application of HDPE as barriers in the field.

The transient divided bar method for laboratory measurements of thermal properties

NASA Astrophysics Data System (ADS)

Bording, Thue S.; Nielsen, Søren B.; Balling, Niels

2016-12-01

Accurate information on thermal conductivity and thermal diffusivity of materials is of central importance in relation to geoscience and engineering problems involving the transfer of heat. Several methods, including the classical divided bar technique, are available for laboratory measurements of thermal conductivity, but much fewer for thermal diffusivity. We have generalized the divided bar technique to the transient case in which thermal conductivity, volumetric heat capacity and thereby also thermal diffusivity are measured simultaneously. As the density of samples is easily determined independently, specific heat capacity can also be determined. The finite element formulation provides a flexible forward solution for heat transfer across the bar, and thermal properties are estimated by inverse Monte Carlo modelling. This methodology enables a proper quantification of experimental uncertainties on measured thermal properties and information on their origin. The developed methodology was applied to various materials, including a standard ceramic material and different rock samples, and measuring results were compared with results applying traditional steady-state divided bar and an independent line-source method. All measurements show highly consistent results and with excellent reproducibility and high accuracy. For conductivity the obtained uncertainty is typically 1-3 per cent, and for diffusivity uncertainty may be reduced to about 3-5 per cent. The main uncertainty originates from the presence of thermal contact resistance associated with the internal interfaces in the bar. These are not resolved during inversion and it is imperative that they are minimized. The proposed procedure is simple and may quite easily be implemented to the many steady-state divided bar systems in operation. A thermally controlled bath, as applied here, may not be needed. Simpler systems, such as applying temperature-controlled water directly from a tap, may also be applied.

Dynamics of Marine Zooplankton: Social Behavior, Ecological Interactions, and Physically-Induced Variability

DTIC Science & Technology

2008-02-01

97 3.3.2 Steady-state solutions ..... ........................ 100 3.4 Ecosystem dynamics ...... ............................. 102 3.4.1 Fast ...zooplankton motion is decoupled from biological ac- tivities, as calculated in Flier] et al. (1999). When the diffusion rate is fast compared to phytoplankton...homogenize the zooplankton distribution, which remains spatially more intermit - tent than a passive scalar field. The last panel shows the index for

Problems with heterogeneous and non-isotropic media or distorted grids

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

Hyman, J.; Shashkov, M.; Steinberg, S.

1996-08-01

This paper defines discretizations of the divergence and flux operators that produce symmetric, positive-definite, and accurate approximations to steady-state diffusion problems. Because discontinuous material properties and highly distorted grids are allowed, the flux operator, rather than the gradient, is used as a fundamental operator to be discretized. Resulting finite-difference scheme is similar to those obtained from the mixed finite-element method.

Steady-state solution of the semi-empirical diffusion equation for area sources. [air pollution studies

NASA Technical Reports Server (NTRS)

Lebedeff, S. A.; Hameed, S.

1975-01-01

The problem investigated can be solved exactly in a simple manner if the equations are written in terms of a similarity variable. The exact solution is used to explore two questions of interest in the modelling of urban air pollution, taking into account the distribution of surface concentration downwind of an area source and the distribution of concentration with height.

Interplay between inhibited transport and reaction in nanoporous materials

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

Ackerman, David Michael

2013-01-01

This work presents a detailed formulation of reaction and diffusion dynamics of molecules in confined pores such as mesoporous silica and zeolites. A general reaction-diffusion model and discrete Monte Carlo simulations are presented. Both transient and steady state behavior is covered. Failure of previous mean-field models for these systems is explained and discussed. A coarse-grained, generalized hydrodynamic model is developed that accurately captures the interplay between reaction and restricted transport in these systems. This method incorporates the non-uniform chemical diffusion behavior present in finite pores with multi-component diffusion. Two methods of calculating these diffusion values are developed: a random walkmore » based approach and a driven diffusion model based on an extension of Fick's law. The effects of reaction, diffusion, pore length, and catalytic site distribution are investigated. In addition to strictly single file motion, quasi-single file diffusion is incorporated into the model to match a range of experimental systems. The connection between these experimental systems and model parameters is made through Langevin dynamics modeling of particles in confined pores.« less

Rumor diffusion model with spatio-temporal diffusion and uncertainty of behavior decision in complex social networks

NASA Astrophysics Data System (ADS)

Zhu, Liang; Wang, Youguo

2018-07-01

In this paper, a rumor diffusion model with uncertainty of human behavior under spatio-temporal diffusion framework is established. Take physical significance of spatial diffusion into account, a diffusion threshold is set under which the rumor is not a trend topic and only spreads along determined physical connections. Heterogeneity of degree distribution and distance distribution has also been considered in theoretical model at the same time. The global existence and uniqueness of classical solution are proved with a Lyapunov function and an approximate classical solution in form of infinite series is constructed with a system of eigenfunction. Simulations and numerical solutions both on Watts-Strogatz (WS) network and Barabási-Albert (BA) network display the variation of density of infected connections from spatial and temporal dimensions. Relevant results show that the density of infected connections is dominated by network topology and uncertainty of human behavior at threshold time. With increase of social capability, rumor diffuses to the steady state in a higher speed. And the variation trends of diffusion size with uncertainty are diverse on different artificial networks.

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

Lyra, Wladimir; Lin, Min-Kai, E-mail: wlyra@caltech.edu, E-mail: mklin924@cita.utoronto.ca

The Atacama Large Millimeter Array has returned images of transitional disks in which large asymmetries are seen in the distribution of millimeter sized dust in the outer disk. The explanation in vogue borrows from the vortex literature and suggests that these asymmetries are the result of dust trapping in giant vortices, excited via Rossby wave instabilities at planetary gap edges. Due to the drag force, dust trapped in vortices will accumulate in the center and diffusion is needed to maintain a steady state over the lifetime of the disk. While previous work derived semi-analytical models of the process, in thismore » paper we provide analytical steady-steady solutions. Exact solutions exist for certain vortex models. The solution is determined by the vortex rotation profile, the gas scale height, the vortex aspect ratio, and the ratio of dust diffusion to gas-dust friction. In principle, all of these quantities can be derived from observations, which would validate the model and also provide constrains on the strength of the turbulence inside the vortex core. Based on our solution, we derive quantities such as the gas-dust contrast, the trapped dust mass, and the dust contrast at the same orbital location. We apply our model to the recently imaged Oph IRS 48 system, finding values within the range of the observational uncertainties.« less

Large-scale optimization-based non-negative computational framework for diffusion equations: Parallel implementation and performance studies

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

Chang, Justin; Karra, Satish; Nakshatrala, Kalyana B.

It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, usedmore » for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Furthermore, our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.« less

Large-scale optimization-based non-negative computational framework for diffusion equations: Parallel implementation and performance studies

DOE PAGES

Chang, Justin; Karra, Satish; Nakshatrala, Kalyana B.

2016-07-26

It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, usedmore » for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Furthermore, our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.« less

Assessment of a ground water flow model of the Bangkok Basin, Thailand, using carbon-14-based ages and paleohydrology

USGS Publications Warehouse

Sanford, W.E.; Buapeng, S.

1996-01-01

A study was undertaken to understand the groundwater flow conditions in the Bangkok Basin, Thailand, by comparing 14C-based and simulated groundwater ages. 14C measurements were made on about 50 water samples taken from wells throughout the basin. Simulated ages were obtained using 1) backward-pathline tracking based on the well locations, and 2) results from a three-dimensional groundwater flow model. Comparisons of ages at these locations reveal a large difference between 14C-based ages and ages predicted by the steady-state groundwater flow model. Mainly, 14C and 13C analyses indicate that groundwater in the Bangkok area is about 20,000 years old, whereas steady-state flow and transport simulations imply that groundwater in the Bangkok area is 50,000-100,000 years old. One potential reason for the discrepancy between simulated and 14C-based ages is the assumption in the model of steady-state flow. Groundwater velocities were probably greater in the region before about 10,000 years ago, during the last glacial maximum, because of the lower position of sea level and the absence of the surficial Bangkok Clay. Paleoflow conditions were estimated and then incorporated into a second set of simulations. The new assumption was that current steady-state flow conditions existed for the last 8,000 years but were preceded by steady-state conditions representative of flow during the last glacial maximum. This "transient" paleohydrologic simulation yielded a mean simulated age that more closely agrees with the mean 14C-based age, especially if the 14C-based age is corrected for diffusion into clay layers. Although the uncertainties in both the simulated and 14C-based ages are nontrivial, the magnitude of the improved match in the mean age using a paleohydrologic simulation instead of a steady-state simulation suggests that flow conditions in the basin have changed significantly over the last 10,000-20,000 years. Given that the valid age range of 14C-dating methods and the timing of the last glacial maximum are of similar magnitude, adjustments for paleohydrologic conditions may be required for many such studies.

Numerical Models for Sound Propagation in Long Spaces

NASA Astrophysics Data System (ADS)

Lai, Chenly Yuen Cheung

Both reverberation time and steady-state sound field are the key elements for assessing the acoustic condition in an enclosed space. They affect the noise propagation, speech intelligibility, clarity index, and definition. Since the sound field in a long space is non diffuse, classical room acoustics theory does not apply in this situation. The ray tracing technique and the image source methods are two common models to fathom both reverberation time and steady-state sound field in long enclosures nowadays. Although both models can give an accurate estimate of reverberation times and steady-state sound field directly or indirectly, they often involve time-consuming calculations. In order to simplify the acoustic consideration, a theoretical formulation has been developed for predicting both steady-state sound fields and reverberation times in street canyons. The prediction model is further developed to predict the steady-state sound field in a long enclosure. Apart from the straight long enclosure, there are other variations such as a cross junction, a long enclosure with a T-intersection, an U-turn long enclosure. In the present study, an theoretical and experimental investigations were conducted to develop formulae for predicting reverberation times and steady-state sound fields in a junction of a street canyon and in a long enclosure with T-intersection. The theoretical models are validated by comparing the numerical predictions with published experimental results. The theoretical results are also compared with precise indoor measurements and large-scale outdoor experimental results. In all of previous acoustical studies related to long enclosure, most of the studies are focused on the monopole sound source. Besides non-directional noise source, many noise sources in long enclosure are dipole like, such as train noise and fan noise. In order to study the characteristics of directional noise sources, a review of available dipole source was conducted. A dipole was constructed which was subsequent used for experimental studies. In additional, a theoretical model was developed for predicting dipole sound fields. The theoretical model can be used to study the effect of a dipole source on the speech intelligibility in long enclosures.

A quasi steady state method for solving transient Darcy flow in complex 3D fractured networks accounting for matrix to fracture flow

NASA Astrophysics Data System (ADS)

Nœtinger, B.

2015-02-01

Modeling natural Discrete Fracture Networks (DFN) receives more and more attention in applied geosciences, from oil and gas industry, to geothermal recovery and aquifer management. The fractures may be either natural, or artificial in case of well stimulation. Accounting for the flow inside the fracture network, and accounting for the transfers between the matrix and the fractures, with the same level of accuracy is an important issue for calibrating the well architecture and for setting up optimal resources recovery strategies. Recently, we proposed an original method allowing to model transient pressure diffusion in the fracture network only [1]. The matrix was assumed to be impervious. A systematic approximation scheme was built, allowing to model the initial DFN by a set of N unknowns located at each identified intersection between fractures. The higher N, the higher the accuracy of the model. The main assumption was using a quasi steady state hypothesis, that states that the characteristic diffusion time over one single fracture is negligible compared with the characteristic time of the macroscopic problem, e.g. change of boundary conditions. In that context, the lowest order approximation N = 1 has the form of solving a transient problem in a resistor/capacitor network, a so-called pipe network. Its topology is the same as the network of geometrical intersections between fractures. In this paper, we generalize this approach in order to account for fluxes from matrix to fractures. The quasi steady state hypothesis at the fracture level is still kept. Then, we show that in the case of well separated time scales between matrix and fractures, the preceding model needs only to be slightly modified in order to incorporate these fluxes. The additional knowledge of the so-called matrix to fracture transfer function allows to modify the mass matrix that becomes a time convolution operator. This is reminiscent of existing space averaged transient dual porosity models.

A fast and sensitive method for evaluating nuclides migration characteristics in rock medium by using micro-channel reactor concept

NASA Astrophysics Data System (ADS)

Okuyama, Keita; Sasahira, Akira; Noshita, Kenji; Yoshida, Takuma; Kato, Kazuyuki; Nagasaki, Shinya; Ohe, Toshiaki

Experimental effort to evaluate the barrier performance of geologic disposal requires relatively long testing periods and chemically stable conditions. We have developed a new technique, the micro mock-up method, to present a fast and sensitive method to measure both nuclide diffusivity and sorption coefficient within a day to overcome such disadvantage of the conventional method. In this method, a Teflon plate having a micro channel (10-200 μm depth, 2, 4 mm width) is placed just beneath the rock sample plate, radionuclide solution is injected into the channel with constant rate. The breakthrough curve is being measured until a steady state. The outlet flux in the steady state however does not meet the inlet flux because of the matrix diffusion into the rock body. This inlet-outlet difference is simply related to the effective diffusion coefficient ( De) and the distribution coefficient ( Kd) of rock sample. Then, we adopt a fitting procedure to speculate Kd and De values by comparing the observation to the theoretical curve of the two-dimensional diffusion-advection equation. In the present study, we measured De of 3H by using both the micro mock-up method and the conventional through-diffusion method for comparison. The obtained values of De by two different ways for granite sample (Inada area of Japan) were identical: 1.0 × 10 -11 and 9.0 × 10 -12 m 2/s but the testing period was much different: 10 h and 3 days, respectively. We also measured the breakthrough curve of 85Sr and the resulting Kd and De agreed well to the previous study obtained by the batch sorption experiments with crushed samples. The experimental evidence and the above advantages reveal that the micro mock-up method based on the microreactor concept is powerful and much advantageous when compared to the conventional method.

Memoryless control of boundary concentrations of diffusing particles.

PubMed

Singer, A; Schuss, Z; Nadler, B; Eisenberg, R S

2004-12-01

Flux between regions of different concentration occurs in nearly every device involving diffusion, whether an electrochemical cell, a bipolar transistor, or a protein channel in a biological membrane. Diffusion theory has calculated that flux since the time of Fick (1855), and the flux has been known to arise from the stochastic behavior of Brownian trajectories since the time of Einstein (1905), yet the mathematical description of the behavior of trajectories corresponding to different types of boundaries is not complete. We consider the trajectories of noninteracting particles diffusing in a finite region connecting two baths of fixed concentrations. Inside the region, the trajectories of diffusing particles are governed by the Langevin equation. To maintain average concentrations at the boundaries of the region at their values in the baths, a control mechanism is needed to set the boundary dynamics of the trajectories. Different control mechanisms are used in Langevin and Brownian simulations of such systems. We analyze models of controllers and derive equations for the time evolution and spatial distribution of particles inside the domain. Our analysis shows a distinct difference between the time evolution and the steady state concentrations. While the time evolution of the density is governed by an integral operator, the spatial distribution is governed by the familiar Fokker-Planck operator. The boundary conditions for the time dependent density depend on the model of the controller; however, this dependence disappears in the steady state, if the controller is of a renewal type. Renewal-type controllers, however, produce spurious boundary layers that can be catastrophic in simulations of charged particles, because even a tiny net charge can have global effects. The design of a nonrenewal controller that maintains concentrations of noninteracting particles without creating spurious boundary layers at the interface requires the solution of the time-dependent Fokker-Planck equation with absorption of outgoing trajectories and a source of ingoing trajectories on the boundary (the so called albedo problem).

A potentiostatic study of oxygen transport through poly(2-ethoxyethyl methacrylate-co-2,3-dihydroxypropylmethacrylate) hydrogel membranes.

PubMed

Compañ, Vicente; Tiemblo, Pilar; García, F; García, J M; Guzmán, Julio; Riande, Evaristo

2005-06-01

The oxygen permeability and diffusion coefficients of hydrogel membranes prepared with copolymers of 2-ethoxyethyl methacrylate (EEMA)/2,3-dihydroxypropylmethacrylate (MAG) with mole fraction of the second monomer in the range between 0 and 0.75 are described. Values of the permeability and diffusion coefficients of oxygen are determined by using electrochemical procedures involving the measurement of the steady-state current in membranes prepared by radical polymerization of the monomers. The results obtained for the transport properties were analyzed taking into account the fractional free volumes, the cohesive energy densities and the glass transition temperatures of the hydrogels.

Diffusion Tensor Imaging Tractography Detecting Isolated Oculomotor Nerve Damage After Traumatic Brain Injury.

PubMed

Jacquesson, Timothée; Frindel, Carole; Cotton, Francois

2017-04-01

A 24-year-old woman was hit by a bus and suffered an isolated complete oculomotor nerve palsy. Computed tomography scan did not show a skull base fracture. T2*-weighted magnetic resonance imaging revealed petechial cerebral hemorrhages sparing the brainstem. T2 constructive interference in steady state suggested a partial sectioning of the left oculomotor nerve just before entering the superior orbital fissure. Diffusion tensor imaging fiber tractography confirmed a sharp arrest of the left oculomotor nerve. This recent imaging technique could be of interest to assess white fiber damage and help make a diagnosis or prognosis. Copyright © 2017 Elsevier Inc. All rights reserved.

Non-cooperative Fisher-KPP systems: traveling waves and long-time behavior

NASA Astrophysics Data System (ADS)

Girardin, Léo

2018-01-01

This paper is concerned with non-cooperative parabolic reaction-diffusion systems which share structural similarities with the scalar Fisher-KPP equation. These similarities make it possible to prove, among other results, an extinction and persistence dichotomy and, when persistence occurs, the existence of a positive steady state, the existence of traveling waves with a half-line of possible speeds and a positive minimal speed and the equality between this minimal speed and the spreading speed for the Cauchy problem. Non-cooperative KPP systems can model various phenomena where the following three mechanisms occur: local diffusion in space, linear cooperation and superlinear competition.

Solution of non-steady-state substrate concentration in the action of biosensor response at mixed enzyme kinetics

NASA Astrophysics Data System (ADS)

Senthamarai, R.; Jana Ranjani, R.

2018-04-01

In this paper, a mathematical model of an amperometric biosensor at mixed enzyme kinetics and diffusion limitation in the case of substrate inhibition has been developed. The model is based on time dependent reaction diffusion equation containing a non -linear term related to non -Michaelis - Menten kinetics of the enzymatic reaction. Solution for the concentration of the substrate has been derived for all values of parameters using the homotopy perturbation method. All the approximate analytic expressions of substrate concentration are compared with simulation results using Scilab/Matlab program. Finally, we have given a satisfactory agreement between them.

Parametric spatiotemporal oscillation in reaction-diffusion systems.

PubMed

Ghosh, Shyamolina; Ray, Deb Shankar

2016-03-01

We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

Parametric spatiotemporal oscillation in reaction-diffusion systems

NASA Astrophysics Data System (ADS)

Ghosh, Shyamolina; Ray, Deb Shankar

2016-03-01

We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

Kinetic model for dependence of thin film stress on growth rate, temperature, and microstructure

NASA Astrophysics Data System (ADS)

Chason, E.; Shin, J. W.; Hearne, S. J.; Freund, L. B.

2012-04-01

During deposition, many thin films go through a range of stress states, changing from compressive to tensile and back again. In addition, the stress depends strongly on the processing and material parameters. We have developed a simple analytical model to describe the stress evolution in terms of a kinetic competition between different mechanisms of stress generation and relaxation at the triple junction where the surface and grain boundary intersect. The model describes how the steady state stress scales with the dimensionless parameter D/LR where D is the diffusivity, R is the growth rate, and L is the grain size. It also explains the transition from tensile to compressive stress as the microstructure evolves from isolated islands to a continuous film. We compare calculations from the model with measurements of the stress dependence on grain size and growth rate in the steady state regime and of the evolution of stress with thickness for different temperatures.

Chemical potential in active systems: predicting phase equilibrium from bulk equations of state?

NASA Astrophysics Data System (ADS)

Paliwal, Siddharth; Rodenburg, Jeroen; van Roij, René; Dijkstra, Marjolein

2018-01-01

We derive a microscopic expression for a quantity μ that plays the role of chemical potential of active Brownian particles (ABPs) in a steady state in the absence of vortices. We show that μ consists of (i) an intrinsic chemical potential similar to passive systems, which depends on density and self-propulsion speed, but not on the external potential, (ii) the external potential, and (iii) a newly derived one-body swim potential due to the activity of the particles. Our simulations on ABPs show good agreement with our Fokker-Planck calculations, and confirm that μ (z) is spatially constant for several inhomogeneous active fluids in their steady states in a planar geometry. Finally, we show that phase coexistence of ABPs with a planar interface satisfies not only mechanical but also diffusive equilibrium. The coexistence can be well-described by equating the bulk chemical potential and bulk pressure obtained from bulk simulations for systems with low activity but requires explicit evaluation of the interfacial contributions at high activity.

Transient Nonequilibrium Molecular Dynamic Simulations of Thermal Conductivity: 1. Simple Fluids

NASA Astrophysics Data System (ADS)

Hulse, R. J.; Rowley, R. L.; Wilding, W. V.

2005-01-01

Thermal conductivity has been previously obtained from molecular dynamics (MD) simulations using either equilibrium (EMD) simulations (from Green--Kubo equations) or from steady-state nonequilibrium (NEMD) simulations. In the case of NEMD, either boundary-driven steady states are simulated or constrained equations of motion are used to obtain steady-state heat transfer rates. Like their experimental counterparts, these nonequilibrium steady-state methods are time consuming and may have convection problems. Here we report a new transient method developed to provide accurate thermal conductivity predictions from MD simulations. In the proposed MD method, molecules that lie within a specified volume are instantaneously heated. The temperature decay of the system of molecules inside the heated volume is compared to the solution of the transient energy equation, and the thermal diffusivity is regressed. Since the density of the fluid is set in the simulation, only the isochoric heat capacity is needed in order to obtain the thermal conductivity. In this study the isochoric heat capacity is determined from energy fluctuations within the simulated fluid. The method is valid in the liquid, vapor, and critical regions. Simulated values for the thermal conductivity of a Lennard-Jones (LJ) fluid were obtained using this new method over a temperature range of 90 to 900 K and a density range of 1-35 kmol · m-3. These values compare favorably with experimental values for argon. The new method has a precision of ±10%. Compared to other methods, the algorithm is quick, easy to code, and applicable to small systems, making the simulations very efficient.

Concentration polarization of hyaluronan on the surface of the synovial lining of infused joints

PubMed Central

Lu, Y; Levick, JR; Wang, W

2004-01-01

Hyaluronan (HA) in joints conserves the lubricating synovial fluid by making trans-synovial fluid escape almost insensitive to pressure elevation (e.g. effusions, joint flexion). This phenomenon, ‘outflow buffering’, was discovered during HA infusion into the rabbit knee joint cavity. It was also found that HA is partially reflected by the joint lining (molecular sieving), and that the reflected fraction R decreases as trans-synovial filtration rate Q is increased. It was postulated therefore that outflow buffering is mediated by HA reflection. Reflection creates a HA concentration polarization layer, the osmotic pressure of which opposes fluid loss. A steady-state, cross-flow ultrafiltration model was previously used to explain the outflow buffering and negative R-vs.-Q relation. However, the steady-state, cross-perfusion assumptions restricted the model's applicability for an infused, dead-end cavity or a non-infused joint during cyclical motion. We therefore developed a new, non-steady-state model which describes the time course of dead-end, partial HA ultrafiltration. The model describes the progressive build-up of a HA concentration polarization layer at the synovial surface over time. Using experimental parameter values, the model successfully accounts for the observed negative R-vs.-Q relation and shows that the HA reflected fraction (R) also depends on HA diffusivity, membrane area expansion and the synovial HA reflection coefficient. The non-steady-state model thus explains existing experimental work, and it is a key stage in understanding synovial fluid turnover in intact, moving, human joints or osteoarthritic joints treated by HA injections. PMID:15579541

Alveolar epithelial cell processing of nanoparticles activates autophagy and lysosomal exocytosis.

PubMed

Sipos, Arnold; Kim, Kwang-Jin; Chow, Robert H; Flodby, Per; Borok, Zea; Crandall, Edward D

2018-05-03

Utilizing confocal microscopy, we quantitatively assessed uptake, processing and egress of near infrared (NIR)-labeled carboxylated polystyrene nanoparticles (PNP) in live alveolar epithelial cells (AEC) during interactions with primary rat AEC monolayers (RAECM). PNP fluorescence intensity (content) and colocalization with intracellular vesicles in a cell were determined over the entire cell volume via z-stacking. Isotropic cuvette-based microfluorimetry was used to determine PNP concentration ([PNP]) from anisotropic measurements of PNP content assessed by confocal microscopy. Results showed that PNP uptake kinetics and steady state intracellular content decreased as diameter increased from 20 to 200 nm. For 20 nm PNP, uptake rate and steady state intracellular content increased with increased apical [PNP], but were unaffected by inhibition of endocytic pathways. Intracellular PNP increasingly co-localized with autophagosomes and/or lysosomes over time. PNP egress exhibited fast [Ca2+]-dependent release and a slower diffusion-like process. Inhibition of microtubule polymerization curtailed rapid PNP egress, resulting in elevated vesicular and intracellular PNP content. Interference with autophagosome formation led to slower PNP uptake and markedly decreased steady state intracellular content. At steady state, cytosolic [PNP] was higher than apical [PNP] and vesicular [PNP] (~80% of intracellular PNP content) exceeded both cytosolic [PNP] and intracellular [PNP]. These data are consistent with the hypotheses that (1) autophagic processing of nanoparticles is essential for maintenance of AEC integrity, (2) altered autophagy and/or lysosomal exocytosis may lead to AEC injury and (3) intracellular [PNP] in AEC is regulable, suggesting strategies for enhancement of nanoparticle-driven AEC gene/drug delivery and/or amelioration of AEC nanoparticle-related cellular toxicity.

Size and Shape of Solid Fuel Diffusion Flames in Very Low Speed Flows. M.S. Thesis. Final Report

NASA Technical Reports Server (NTRS)

Foutch, David W.

1987-01-01

The effect of very low speed forced flows on the size and shape of a solid fuel diffusion flame are investigated experimentally. Flows due to natural convection are eliminated by performing the experiment in low gravity. The range of velocities tested is 1.5 cm/s to 6.3 cm/s and the mole fraction of oxygen in the O2/N2 atmosphere ranges from 0.15 to 0.19. The flames did not reach steady state in the 5.2 sec to which the experiment was limited. Despite limited data, trends in the transient flame temperature and, by means of extrapolation, the steady state flame size are deduced. As the flow velocity is reduced, the flames move farther from the fuel surface, and the transient flame temperature is lowered. As the oxygen concentration is reduced the flames move closer to the fuel sample and the transient flame temperature is reduced. With stand off distances up to 8.5 + or - 0.7 mm and thicknesses around 1 or 2 mm, these flames are much weaker than flames observed at normal gravity. Based on the performance of the equipment and several qualitative observations, suggestions for future work are made.

Non-inductive Hybrid Scenario-Transport and Turbulence at Reduced Plasma Torque

NASA Astrophysics Data System (ADS)

Thome, K. E.; Petty, C. C.; Pace, D. C.; Turco, F.; Rhodes, T. L.

2016-10-01

As the neutral beam injection (NBI) torque is lowered in steady-state hybrid plasmas via counter-beam injection, increased turbulence and thermal transport is observed, particularly in the ion channel. These discharges require Pco-NBI = 11 MW and PECH = 3 MW to achieve zero surface loop voltage. As the beam torque is reduced from 8.5 N-m to 4 N-m with βN 3 and q95 6 , the global confinement decreases from H 98 y , 2 of 1.5 to 1.2 . Local transport analysis using TRANSP shows that the lower torque discharges have increased ion thermal diffusivity across the whole profile and increased electron thermal diffusivity localized to the ρ = 0.7 region. Similarly, Doppler Backscattering shows increased density fluctuations at intermediate wavenumbers at the lower torque. However, fast-ion transport caused by off-axis fishbones favorably decreases from 0.7m2 /s to 0.1m2 /s as the torque is lowered, partially offsetting the thermal transport reduction. These measured changes in turbulence and transport are being compared to plasma simulations using TGLF/GYRO to better predict the confinement of future steady-state hybrids that will be primarily RF-heated. Work supported by the US DOE under DE-FC02-04ER54698.

A demonstration of mitigation of environmentally-assisted cracking by the application of a tensile overload

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

James, L.A.

1997-02-01

Environmentally-assisted cracking (EAC) of low-alloy steels in high-temperature aqueous environments typical of those employed in light-water reactor (LWR) systems has been a subject of considerable interest since the pioneering work of Kondo et al demonstrated significantly higher fatigue crack propagation (FCP) rates in water than would be expected in an air environment under similar conditions. Here, environmentally-assisted cracking (EAC) of low-alloy steels in elevated temperature aqueous environments is readily observed in many laboratory experiments conducted in autoclaves, yet the observation of EAC in actual components operating in the same environments is quite rare. Mass transport of sulfides from the crackmore » enclave by diffusion and convection occurring in operating components provides one plausible explanation to this apparent paradox. Another contribution to EAC mitigation may also arise from the non-constant stress amplitudes typical for many operating components. This paper provides a demonstration of how a single tensile overload to 40% above a steady-state maximum fatigue stress can retard subsequent crack growth at the steady-state level for a sufficient period of time that diffusion mass transport can reduce the crack-tip sulfide concentration to a level below that necessary to sustain EAC.« less

A rational eating model of binges, diets and obesity.

PubMed

Dragone, Davide

2009-07-01

This paper addresses the rapid diffusion of obesity and the existence of different individual patterns of food consumption between non-dieters and chronic dieters. I propose a rational eating model where a forward-looking agent optimizes the intertemporal satisfaction from eating, taking into account the cost of changing consumption habits and the negative health consequences of having a non-optimal body weight. Consistent with the evidence, I show that the intertemporal maximization problem leads to a condition of overweightness, and that heterogeneity in the individual relevance of habits in consumption can determine the observed differences in the individual intertemporal patterns of food consumption and body weight. Sufficient conditions for determining when the convergence to the steady state implies oscillations or is monotonic are given. In the former case, the agent optimally alternates diets and binges until the steady state is reached, in the latter a regular intertemporal pattern of food consumption is optimal.

An Overview of Recent PISCES Program PMI Results

NASA Astrophysics Data System (ADS)

Tynan, George; Doerner, Russell; Abe, Shota; Baldwin, Matthew; Barton, Joseph; Chen, Renkun; Gosselin, Jordan; Hollmann, Eric; Nishijima, Daisuke; Simmonds, Michael; Wang, Yong; Yu, Jonathan

2015-11-01

The PISCES Program is focused on fundamental PMI studies of Be and W-based solid plasma facing components under steady-state and transient conditions. We will show results from studies in W, Be and mixed W-Be material systems. Topics of investigation include formation of near-surface nanobubbles from He plasma ion implantation, growth of W-fuzz from these bubbles in steady-state and transient conditions, D retention in Be and W and development of a D-retention model for both H/D isotope exchange and displacement damage experiments. Initial studies of PMI in displacement damaged W are also presented, showing the effect of damage and exposure temperature on D retention, D diffusion, W thermal conductivity. Be-based results include morphology evolution under high plasma flux exposure, Be erosion mechanisms, and retention in Be-based materials. Future plans and connections to fusion energy system requirements will be discussed. This work supported by grant DE-FG02-07ER54912.

Primary Dendrite Arm Spacings in Al-7Si Alloy Directionally Solidified on the International Space Station

NASA Technical Reports Server (NTRS)

Angart, Samuel; Lauer, Mark; Poirier, David; Tewari, Surendra; Rajamure, Ravi; Grugel, Richard

2015-01-01

Samples from directionally solidified Al- 7 wt. % Si have been analyzed for primary dendrite arm spacing (lambda) and radial macrosegregation. The alloy was directionally solidified (DS) aboard the ISS to determine the effect of mitigating convection on lambda and macrosegregation. Samples from terrestrial DS-experiments thermal histories are discussed for comparison. In some experiments, lambda was measured in microstructures that developed during the transition from one speed to another. To represent DS in the presence of no convection, the Hunt-Lu model was used to represent diffusion controlled growth under steady-state conditions. By sectioning cross-sections throughout the entire length of a solidified sample, lambda was measured and calculated using the model. During steady-state, there was reasonable agreement between the measured and calculated lambda's in the space-grown samples. In terrestrial samples, the differences between measured and calculated lambda's indicated that the dendritic growth was influenced by convection.

Landscape evolution models using the stream power incision model show unrealistic behavior when m / n equals 0.5

NASA Astrophysics Data System (ADS)

Kwang, Jeffrey S.; Parker, Gary

2017-12-01

Landscape evolution models often utilize the stream power incision model to simulate river incision: E = KAmSn, where E is the vertical incision rate, K is the erodibility constant, A is the upstream drainage area, S is the channel gradient, and m and n are exponents. This simple but useful law has been employed with an imposed rock uplift rate to gain insight into steady-state landscapes. The most common choice of exponents satisfies m / n = 0.5. Yet all models have limitations. Here, we show that when hillslope diffusion (which operates only on small scales) is neglected, the choice m / n = 0.5 yields a curiously unrealistic result: the predicted landscape is invariant to horizontal stretching. That is, the steady-state landscape for a 10 km2 horizontal domain can be stretched so that it is identical to the corresponding landscape for a 1000 km2 domain.

Quasi-steady state reduction of molecular motor-based models of directed intermittent search.

PubMed

Newby, Jay M; Bressloff, Paul C

2010-10-01

We present a quasi-steady state reduction of a linear reaction-hyperbolic master equation describing the directed intermittent search for a hidden target by a motor-driven particle moving on a one-dimensional filament track. The particle is injected at one end of the track and randomly switches between stationary search phases and mobile nonsearch phases that are biased in the anterograde direction. There is a finite possibility that the particle fails to find the target due to an absorbing boundary at the other end of the track. Such a scenario is exemplified by the motor-driven transport of vesicular cargo to synaptic targets located on the axon or dendrites of a neuron. The reduced model is described by a scalar Fokker-Planck (FP) equation, which has an additional inhomogeneous decay term that takes into account absorption by the target. The FP equation is used to compute the probability of finding the hidden target (hitting probability) and the corresponding conditional mean first passage time (MFPT) in terms of the effective drift velocity V, diffusivity D, and target absorption rate λ of the random search. The quasi-steady state reduction determines V, D, and λ in terms of the various biophysical parameters of the underlying motor transport model. We first apply our analysis to a simple 3-state model and show that our quasi-steady state reduction yields results that are in excellent agreement with Monte Carlo simulations of the full system under physiologically reasonable conditions. We then consider a more complex multiple motor model of bidirectional transport, in which opposing motors compete in a "tug-of-war", and use this to explore how ATP concentration might regulate the delivery of cargo to synaptic targets.

Transient anomalous diffusion in periodic systems: ergodicity, symmetry breaking and velocity relaxation

PubMed Central

Spiechowicz, Jakub; Łuczka, Jerzy; Hänggi, Peter

2016-01-01

We study far from equilibrium transport of a periodically driven inertial Brownian particle moving in a periodic potential. As detected for a SQUID ratchet dynamics, the mean square deviation of the particle position from its average may involve three distinct intermediate, although extended diffusive regimes: initially as superdiffusion, followed by subdiffusion and finally, normal diffusion in the asymptotic long time limit. Even though these anomalies are transient effects, their lifetime can be many, many orders of magnitude longer than the characteristic time scale of the setup and turns out to be extraordinarily sensitive to the system parameters like temperature or the potential asymmetry. In the paper we reveal mechanisms of diffusion anomalies related to ergodicity of the system, symmetry breaking of the periodic potential and ultraslow relaxation of the particle velocity towards its steady state. Similar sequences of the diffusive behaviours could be detected in various systems including, among others, colloidal particles in random potentials, glass forming liquids and granular gases. PMID:27492219

Tracer counterpermeation analysis of diffusivity in finite-length nanopores with and without single-file dynamics

DOE PAGES

Ackerman, David M.; Evans, James W.

2017-01-19

Here, we perform a tracer counterpermeation (TCP) analysis for a stochastic model of diffusive transport through a narrow linear pore where passing of species within the pore is inhibited or even excluded (single-file diffusion). TCP involves differently labeled but otherwise identical particles from two decoupled infinite reservoirs adsorbing into opposite ends of the pore, and desorbing from either end. In addition to transient behavior, we assess steady-state concentration profiles, spatial correlations, particle number fluctuations, and diffusion fluxes through the pore. From the profiles and fluxes, we determine a generalized tracer diffusion coefficient D tr(x), at various positions x within themore » pore. D tr(x) has a plateau value in the pore center scaling inversely with the pore length, but it is enhanced near the pore openings. The latter feature reflects the effect of fluctuations in adsorption and desorption, and it is also associated with a nontrivial scaling of the concentration profiles near the pore openings.« less

Tracer counterpermeation analysis of diffusivity in finite-length nanopores with and without single-file dynamics

NASA Astrophysics Data System (ADS)

Ackerman, David M.; Evans, James W.

2017-01-01

We perform a tracer counterpermeation (TCP) analysis for a stochastic model of diffusive transport through a narrow linear pore where passing of species within the pore is inhibited or even excluded (single-file diffusion). TCP involves differently labeled but otherwise identical particles from two decoupled infinite reservoirs adsorbing into opposite ends of the pore, and desorbing from either end. In addition to transient behavior, we assess steady-state concentration profiles, spatial correlations, particle number fluctuations, and diffusion fluxes through the pore. From the profiles and fluxes, we determine a generalized tracer diffusion coefficient Dtr(x ) , at various positions x within the pore. Dtr(x ) has a plateau value in the pore center scaling inversely with the pore length, but it is enhanced near the pore openings. The latter feature reflects the effect of fluctuations in adsorption and desorption, and it is also associated with a nontrivial scaling of the concentration profiles near the pore openings.

Nonequilibrium steady state of a weakly-driven Kardar–Parisi–Zhang equation

NASA Astrophysics Data System (ADS)

Meerson, Baruch; Sasorov, Pavel V.; Vilenkin, Arkady

2018-05-01

We consider an infinite interface of d  >  2 dimensions, governed by the Kardar–Parisi–Zhang (KPZ) equation with a weak Gaussian noise which is delta-correlated in time and has short-range spatial correlations. We study the probability distribution of the interface height H at a point of the substrate, when the interface is initially flat. We show that, in stark contrast with the KPZ equation in d  <  2, this distribution approaches a non-equilibrium steady state. The time of relaxation toward this state scales as the diffusion time over the correlation length of the noise. We study the steady-state distribution using the optimal-fluctuation method. The typical, small fluctuations of height are Gaussian. For these fluctuations the activation path of the system coincides with the time-reversed relaxation path, and the variance of can be found from a minimization of the (nonlocal) equilibrium free energy of the interface. In contrast, the tails of are nonequilibrium, non-Gaussian and strongly asymmetric. To determine them we calculate, analytically and numerically, the activation paths of the system, which are different from the time-reversed relaxation paths. We show that the slower-decaying tail of scales as , while the faster-decaying tail scales as . The slower-decaying tail has important implications for the statistics of directed polymers in random potential.

A reaction-diffusion within-host HIV model with cell-to-cell transmission.

PubMed

Ren, Xinzhi; Tian, Yanni; Liu, Lili; Liu, Xianning

2018-06-01

In this paper, a reaction-diffusion within-host HIV model is proposed. It incorporates cell mobility, spatial heterogeneity and cell-to-cell transmission, which depends on the diffusion ability of the infected cells. In the case of a bounded domain, the basic reproduction number [Formula: see text] is established and shown as a threshold: the virus-free steady state is globally asymptotically stable if [Formula: see text] and the virus is uniformly persistent if [Formula: see text]. The explicit formula for [Formula: see text] and the global asymptotic stability of the constant positive steady state are obtained for the case of homogeneous space. In the case of an unbounded domain and [Formula: see text], the existence of the traveling wave solutions is proved and the minimum wave speed [Formula: see text] is obtained, providing the mobility of infected cells does not exceed that of the virus. These results are obtained by using Schauder fixed point theorem, limiting argument, LaSalle's invariance principle and one-side Laplace transform. It is found that the asymptotic spreading speed may be larger than the minimum wave speed via numerical simulations. However, our simulations show that it is possible either to underestimate or overestimate the spread risk [Formula: see text] if the spatial averaged system is used rather than one that is spatially explicit. The spread risk may also be overestimated if we ignore the mobility of the cells. It turns out that the minimum wave speed could be either underestimated or overestimated as long as the mobility of infected cells is ignored.

Efficacy of Synaptic Inhibition Depends on Multiple, Dynamically Interacting Mechanisms Implicated in Chloride Homeostasis

PubMed Central

Doyon, Nicolas; Prescott, Steven A.; Castonguay, Annie; Godin, Antoine G.; Kröger, Helmut; De Koninck, Yves

2011-01-01

Chloride homeostasis is a critical determinant of the strength and robustness of inhibition mediated by GABAA receptors (GABAARs). The impact of changes in steady state Cl− gradient is relatively straightforward to understand, but how dynamic interplay between Cl− influx, diffusion, extrusion and interaction with other ion species affects synaptic signaling remains uncertain. Here we used electrodiffusion modeling to investigate the nonlinear interactions between these processes. Results demonstrate that diffusion is crucial for redistributing intracellular Cl− load on a fast time scale, whereas Cl−extrusion controls steady state levels. Interaction between diffusion and extrusion can result in a somato-dendritic Cl− gradient even when KCC2 is distributed uniformly across the cell. Reducing KCC2 activity led to decreased efficacy of GABAAR-mediated inhibition, but increasing GABAAR input failed to fully compensate for this form of disinhibition because of activity-dependent accumulation of Cl−. Furthermore, if spiking persisted despite the presence of GABAAR input, Cl− accumulation became accelerated because of the large Cl− driving force that occurs during spikes. The resulting positive feedback loop caused catastrophic failure of inhibition. Simulations also revealed other feedback loops, such as competition between Cl− and pH regulation. Several model predictions were tested and confirmed by [Cl−]i imaging experiments. Our study has thus uncovered how Cl− regulation depends on a multiplicity of dynamically interacting mechanisms. Furthermore, the model revealed that enhancing KCC2 activity beyond normal levels did not negatively impact firing frequency or cause overt extracellular K− accumulation, demonstrating that enhancing KCC2 activity is a valid strategy for therapeutic intervention. PMID:21931544

Effects of periodic atmospheric pressure variation on radon entry into buildings

NASA Astrophysics Data System (ADS)

Tsang, Y. W.; Narasimhan, T. N.

1992-06-01

Using a mathematical model, we have investigated the temporal variations of radon entry into a house basement in the presence of time-dependent periodic variations of barometric pressure as well as a persistent small steady depressurization within the basement. The tool for our investigation is an integral finite difference numerical code which can solve for both diffusive and advective flux of radon in the soil gas which is treated as a slightly compressible fluid. Two different boundary conditions at the house basement are considered: (1) a dirt floor basement so that diffusion is equally or more important than advective transport, and (2) an "impermeable" cement basement except for a 1-cm-wide crack near the perimeter of the basement floor; in which case, advective transport of radon flux dominates. Two frequencies of barometric pressure fluctuation with representative values of amplitudes, based on a Fourier decomposition of barometric pressure data, were chosen in this study: one with a short period of 0.5 hour with pressure amplitude of 50 Pa, the other a diurnal variation with a period of 24 hours with the typical pressure amplitude of 250 Pa. For a homogeneous soil medium with soil permeability to air between 10-13 and 10-10 m2, we predict that the barometric fluctuations increase the radon entry into the basement by up to 120% of the steady radon inflow into the basement owing to a steady depressurization of 5 Pa. If soil permeability heterogeneity is present, such as the presence of a thin layer of higher permeability aggregate immediately below the basement floor, radon flux due to atmospheric pumping is further increased. Effects of pressure pumping on radon entry are also compared to diffusion-only transport when the steady depressurization is absent. It is found that contribution to radon entry is significant for the basement crack configuration. In particular, for pressure pumping at 0.5-hour period and for a homogeneous medium of permeability of 10-10 m2, the radon entry is a factor of 10 larger than that predicted by the diffusion-only transport. This may help to explain indoor radon concentrations during times of low steady state driving force. Extending beyond radon transport, the results of this case study establish the importance of transient advective transport resulting from atmospheric pressure variation. These results may have relevance in the estimations of the transfer of trace gases such as methane and nitrous oxide across the soil-atmosphere interface and their impact on global climate changes.

Applicability of Kinematic and Diffusive models for mud-flows: a steady state analysis

NASA Astrophysics Data System (ADS)

Di Cristo, Cristiana; Iervolino, Michele; Vacca, Andrea

2018-04-01

The paper investigates the applicability of Kinematic and Diffusive Wave models for mud-flows with a power-law shear-thinning rheology. In analogy with a well-known approach for turbulent clear-water flows, the study compares the steady flow depth profiles predicted by approximated models with those of the Full Dynamic Wave one. For all the models and assuming an infinitely wide channel, the analytical solution of the flow depth profiles, in terms of hypergeometric functions, is derived. The accuracy of the approximated models is assessed by computing the average, along the channel length, of the errors, for several values of the Froude and kinematic wave numbers. Assuming the threshold value of the error equal to 5%, the applicability conditions of the two approximations have been individuated for several values of the power-law exponent, showing a crucial role of the rheology. The comparison with the clear-water results indicates that applicability criteria for clear-water flows do not apply to shear-thinning fluids, potentially leading to an incorrect use of approximated models if the rheology is not properly accounted for.

Fractional derivatives in the diffusion process in heterogeneous systems: The case of transdermal patches.

PubMed

Caputo, Michele; Cametti, Cesare

2017-09-01

In this note, we present a simple mathematical model of drug delivery through transdermal patches by introducing a memory formalism in the classical Fick diffusion equation based on the fractional derivative. This approach is developed in the case of a medicated adhesive patch placed on the skin to deliver a time released dose of medication through the skin towards the bloodstream.The main resistance to drug transport across the skin resides in the diffusion through its outermost layer (the stratum corneum). Due to the complicated architecture of this region, a model based on a constant diffusivity in a steady-state condition results in too simplistic assumptions and more refined models are required.The introduction of a memory formalism in the diffusion process, where diffusion parameters depend at a certain time or position on what happens at preceeding times, meets this requirement and allows a significantly better description of the experimental results.The present model may be useful not only for analyzing the rate of skin permeation but also for predicting the drug concentration after transdermal drug delivery depending on the diffusion characteristics of the patch (its thickness and pseudo-diffusion coefficient). Copyright © 2017 Elsevier Inc. All rights reserved.

Exits in order: How crowding affects particle lifetimes

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

Penington, Catherine J.; Simpson, Matthew J.; Baker, Ruth E.

2016-06-28

Diffusive processes are often represented using stochastic random walk frameworks. The amount of time taken for an individual in a random walk to intersect with an absorbing boundary is a fundamental property that is often referred to as the particle lifetime, or the first passage time. The mean lifetime of particles in a random walk model of diffusion is related to the amount of time required for the diffusive process to reach a steady state. Mathematical analysis describing the mean lifetime of particles in a standard model of diffusion without crowding is well known. However, the lifetime of agents inmore » a random walk with crowding has received much less attention. Since many applications of diffusion in biology and biophysics include crowding effects, here we study a discrete model of diffusion that incorporates crowding. Using simulations, we show that crowding has a dramatic effect on agent lifetimes, and we derive an approximate expression for the mean agent lifetime that includes crowding effects. Our expression matches simulation results very well, and highlights the importance of crowding effects that are sometimes overlooked.« less

Rumor spreading model with noise interference in complex social networks

NASA Astrophysics Data System (ADS)

Zhu, Liang; Wang, Youguo

2017-03-01

In this paper, a modified susceptible-infected-removed (SIR) model has been proposed to explore rumor diffusion on complex social networks. We take variation of connectivity into consideration and assume the variation as noise. On the basis of related literature on virus networks, the noise is described as standard Brownian motion while stochastic differential equations (SDE) have been derived to characterize dynamics of rumor diffusion both on homogeneous networks and heterogeneous networks. Then, theoretical analysis on homogeneous networks has been demonstrated to investigate the solution of SDE model and the steady state of rumor diffusion. Simulations both on Barabási-Albert (BA) network and Watts-Strogatz (WS) network display that the addition of noise accelerates rumor diffusion and expands diffusion size, meanwhile, the spreading speed on BA network is much faster than on WS network under the same noise intensity. In addition, there exists a rumor diffusion threshold in statistical average meaning on homogeneous network which is absent on heterogeneous network. Finally, we find a positive correlation between peak value of infected individuals and noise intensity while a negative correlation between rumor lifecycle and noise intensity overall.

An Extended Lagrangian Method

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing

1995-01-01

A unique formulation of describing fluid motion is presented. The method, referred to as 'extended Lagrangian method,' is interesting from both theoretical and numerical points of view. The formulation offers accuracy in numerical solution by avoiding numerical diffusion resulting from mixing of fluxes in the Eulerian description. The present method and the Arbitrary Lagrangian-Eulerian (ALE) method have a similarity in spirit-eliminating the cross-streamline numerical diffusion. For this purpose, we suggest a simple grid constraint condition and utilize an accurate discretization procedure. This grid constraint is only applied to the transverse cell face parallel to the local stream velocity, and hence our method for the steady state problems naturally reduces to the streamline-curvature method, without explicitly solving the steady stream-coordinate equations formulated a priori. Unlike the Lagrangian method proposed by Loh and Hui which is valid only for steady supersonic flows, the present method is general and capable of treating subsonic flows and supersonic flows as well as unsteady flows, simply by invoking in the same code an appropriate grid constraint suggested in this paper. The approach is found to be robust and stable. It automatically adapts to flow features without resorting to clustering, thereby maintaining rather uniform grid spacing throughout and large time step. Moreover, the method is shown to resolve multi-dimensional discontinuities with a high level of accuracy, similar to that found in one-dimensional problems.

A hydraulic tomography approach coupling travel time inversion with steady shape analysis based on aquifer analogue study in coarsely clastic fluvial glacial deposit

NASA Astrophysics Data System (ADS)

Hu, R.; Brauchler, R.; Herold, M.; Bayer, P.; Sauter, M.

2009-04-01

Rarely is it possible to draw a significant conclusion about the geometry and the properties of geological structures of the underground using the information which is typically obtained from boreholes, since soil exploration is only representative of the position where the soil sample is taken from. Conventional aquifer investigation methods like pumping tests can provide hydraulic properties of a larger area; however, they lead to integral information. This information is insufficient to develop groundwater models, especially contaminant transport models, which require information about the spatial distribution of the hydraulic properties of the subsurface. Hydraulic tomography is an innovative method which has the potential to spatially resolve three dimensional structures of natural aquifer bodies. The method employs hydraulic short term tests performed between two or more wells, whereby the pumped intervals (sources) and the observation points (receivers) are separated by double packer systems. In order to optimize the computationally intensive tomographic inversion of transient hydraulic data we have decided to couple two inversion approaches (a) hydraulic travel time inversion and (b) steady shape inversion. (a) Hydraulic travel time inversion is based on the solution of the travel time integral, which describes the relationship between travel time of maximum signal variation of a transient hydraulic signal and the diffusivity between source and receiver. The travel time inversion is computationally extremely effective and robust, however, it is limited to the determination of diffusivity. In order to overcome this shortcoming we use the estimated diffusivity distribution as starting model for the steady shape inversion with the goal to separate the estimated diffusivity distribution into its components, hydraulic conductivity and specific storage. (b) The steady shape inversion utilizes the fact that at steady shape conditions, drawdown varies with time but the hydraulic gradient does not. By this trick, transient data can be analyzed with the computational efficiency of a steady state model, which proceeds hundreds of times faster than transient models. Finally, a specific storage distribution can be calculated from the diffusivity and hydraulic conductivity reconstructions derived from travel time and steady shape inversion. The groundwork of this study is the aquifer-analogue study from BAYER (1999), in which six parallel profiles of a natural sedimentary body with a size of 16m x 10m x 7m were mapped in high resolution with respect to structural and hydraulic parameters. Based on these results and using geostatistical interpolation methods, MAJI (2005) designed a three dimensional hydraulic model with a resolution of 5cm x 5cm x 5cm. This hydraulic model was used to simulate a large number of short term pumping tests in a tomographical array. The high resolution parameter reconstructions gained from the inversion of simulated pumping test data demonstrate that the proposed inversion scheme allows reconstructing the individual architectural elements and their hydraulic properties with a higher resolution compared to conventional hydraulic and geological investigation methods. Bayer P (1999) Aquifer-Analog-Studium in grobklastischen braided river Ablagerungen: Sedimentäre/hydrogeologische Wandkartierung und Kalibrierung von Georadarmessungen, Diplomkartierung am Lehrstuhl für Angewandte Geologie, Universität Tübingen, 25 pp. Maji, R. (2005) Conditional Stochastic Modelling of DNAPL Migration and Dissolution in a High-resolution Aquifer Analog, Ph.D. thesis at the University of Waterloo, 187 pp.

Hydrogen and hydrocarbon diffusion flames in a weightless environment

NASA Technical Reports Server (NTRS)

Haggard, J. B., Jr.; Cochran, T. H.

1973-01-01

An experimental investigation was performed on laminar hydrogen-, ethylene-, and propylene-air diffusion burning in a weightless environment. The flames burned on nozzles with radii ranging from 0.051 to 0.186 cm with fuel Reynolds numbers at the nozzle exit from 9 to 410. Steady-state diffusion flames existed in a weightless environment for all the fuels tested. A correlation was obtained for their axial length as a function of Schmidt number, Reynolds numbers, and stoichiometric mole fraction. The maximum flame radii were correlated with the ratio of nozzle radius to average fuel velocity. The flames of ethylene and propylene on nozzles with radii 0.113 or larger appeared to be constantly changing color and/or length throughout the test. No extinguishment was observed for any of the gases tested within the 2.2 seconds of weightlessness.

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.

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

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

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

1994-12-31

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

The high temperature creep deformation of Si3N4-6Y2O3-2Al2O3

NASA Technical Reports Server (NTRS)

Todd, J. A.; Xu, Zhi-Yue

1988-01-01

The creep properties of silicon nitride containing 6 wt percent yttria and 2 wt percent alumina have been determined in the temperature range 1573 to 1673 K. The stress exponent, n, in the equation epsilon dot varies as sigma sup n, was determined to be 2.00 + or - 0.15 and the true activation energy was found to be 692 + or - 25 kJ/mol. Transmission electron microscopy studies showed that deformation occurred in the grain boundary glassy phase accompanied by microcrack formation and cavitation. The steady state creep results are consistent with a diffusion controlled creep mechanism involving nitrogen diffusion through the grain boundary glassy phase.

Pulsatile and steady-state hemodynamics of the human patella bone by diffuse optical spectroscopy.

PubMed

Farzam, Parisa; Zirak, Peyman; Binzoni, Tiziano; Durduran, Turgut

2013-08-01

The cardiac cycle related pulsatile behavior of the absorption and scattering coefficients of diffuse light and the corresponding alterations in hemoglobin concentrations in the human patella was studied. The pulsations in scattering is considerably smaller than absorption. The difference in amplitude of absorption coefficient pulsations for different wavelengths was translated to pulsations in oxygenated and deoxygenated hemoglobin, which leads to strong pulsations in the total hemoglobin concentration and oxygen saturation. The physiological origin of the observed signals was confirmed by applying a thigh-cuff. Moreover, we have investigated the optical and physiological properties of the patella bone and their changes in response to arterial cuff occlusion.

Aerodynamic Performance of a Compact, High Work-Factor Centrifugal Compressor at the Stage and Subcomponent Level

NASA Technical Reports Server (NTRS)

Braunscheidel, Edward P.; Welch, Gerard E.; Skoch, Gary J.; Medic, Gorazd; Sharma, Om P.

2014-01-01

The measured aerodynamic performance of a compact, high work factor, single-stage centrifugal compressor, comprising an impeller, diffuser, 90-bend, and exit guide vane (EGV), is reported. Performance levels are based on steady-state total-pressure and total-temperature rake and angularity-probe data acquired at key machine rating planes during recent testing at NASA Glenn Research Center. Aerodynamic performance at the stage level are reported for operation between 70 to 105 of design corrected speed, with subcomponent (impeller, diffuser, and exitguide-vane) detailed flow field measurements presented and discussed at the 100 design-speed condition. Individual component losses from measurements are compared with pre-test predictions on a limited basis.

Polymer scaling and dynamics in steady-state sedimentation at infinite Péclet number.

PubMed

Lehtola, V; Punkkinen, O; Ala-Nissila, T

2007-11-01

We consider the static and dynamical behavior of a flexible polymer chain under steady-state sedimentation using analytic arguments and computer simulations. The model system comprises a single coarse-grained polymer chain of N segments, which resides in a Newtonian fluid as described by the Navier-Stokes equations. The chain is driven into nonequilibrium steady state by gravity acting on each segment. The equations of motion for the segments and the Navier-Stokes equations are solved simultaneously using an immersed boundary method, where thermal fluctuations are neglected. To characterize the chain conformation, we consider its radius of gyration RG(N). We find that the presence of gravity explicitly breaks the spatial symmetry leading to anisotropic scaling of the components of RG with N along the direction of gravity RG, parallel and perpendicular to it RG, perpendicular, respectively. We numerically estimate the corresponding anisotropic scaling exponents nu parallel approximately 0.79 and nu perpendicular approximately 0.45, which differ significantly from the equilibrium scaling exponent nue=0.588 in three dimensions. This indicates that on the average, the chain becomes elongated along the sedimentation direction for large enough N. We present a generalization of the Flory scaling argument, which is in good agreement with the numerical results. It also reveals an explicit dependence of the scaling exponents on the Reynolds number. To study the dynamics of the chain, we compute its effective diffusion coefficient D(N), which does not contain Brownian motion. For the range of values of N used here, we find that both the parallel and perpendicular components of D increase with the chain length N, in contrast to the case of thermal diffusion in equilibrium. This is caused by the fluid-driven fluctuations in the internal configuration of the polymer that are magnified as polymer size becomes larger.

Modeling cytoskeletal traffic: an interplay between passive diffusion and active transport.

PubMed

Neri, Izaak; Kern, Norbert; Parmeggiani, Andrea

2013-03-01

We introduce the totally asymmetric simple exclusion process with Langmuir kinetics on a network as a microscopic model for active motor protein transport on the cytoskeleton, immersed in the diffusive cytoplasm. We discuss how the interplay between active transport along a network and infinite diffusion in a bulk reservoir leads to a heterogeneous matter distribution on various scales: we find three regimes for steady state transport, corresponding to the scale of the network, of individual segments, or local to sites. At low exchange rates strong density heterogeneities develop between different segments in the network. In this regime one has to consider the topological complexity of the whole network to describe transport. In contrast, at moderate exchange rates the transport through the network decouples, and the physics is determined by single segments and the local topology. At last, for very high exchange rates the homogeneous Langmuir process dominates the stationary state. We introduce effective rate diagrams for the network to identify these different regimes. Based on this method we develop an intuitive but generic picture of how the stationary state of excluded volume processes on complex networks can be understood in terms of the single-segment phase diagram.

Understanding metal homeostasis in primary cultured neurons. Studies using single neuron subcellular and quantitative metallomics.

PubMed

Colvin, Robert A; Lai, Barry; Holmes, William R; Lee, Daewoo

2015-07-01

The purpose of this study was to demonstrate how single cell quantitative and subcellular metallomics inform us about both the spatial distribution and cellular mechanisms of metal buffering and homeostasis in primary cultured neurons from embryonic rat brain, which are often used as models of human disease involving metal dyshomeostasis. The present studies utilized synchrotron radiation X-ray fluorescence (SRXRF) and focused primarily on zinc and iron, two abundant metals in neurons that have been implicated in the pathogenesis of neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease. Total single cell contents for calcium, iron, zinc, copper, manganese, and nickel were determined. Resting steady state zinc showed a diffuse distribution in both soma and processes, best defined by the mass profile of the neuron with an enrichment in the nucleus compared with the cytoplasm. Zinc buffering and homeostasis was studied using two modes of cellular zinc loading - transporter and ionophore (pyrithione) mediated. Single neuron zinc contents were shown to statistically significantly increase by either loading method - ionophore: 160 million to 7 billion; transporter 160 million to 280 million atoms per neuronal soma. The newly acquired and buffered zinc still showed a diffuse distribution. Soma and processes have about equal abilities to take up zinc via transporter mediated pathways. Copper levels are distributed diffusely as well, but are relatively higher in the processes relative to zinc levels. Prior studies have observed iron puncta in certain cell types, but others have not. In the present study, iron puncta were characterized in several primary neuronal types. The results show that iron puncta could be found in all neuronal types studied and can account for up to 50% of the total steady state content of iron in neuronal soma. Although other metals can be present in iron puncta, they are predominantly iron containing and do not appear to be associated with ferritin cages or transferrin receptor endosomes. The iron content and its distribution in puncta were similar in all neuron types studied including primary dopaminergic neurons. In summary, quantitative measurements of steady state metal levels in single primary cultured neurons made possible by SRXRF analyses provide unique information on the relative levels of each metal in neuronal soma and processes, subcellular location of zinc loads, and have confirmed and extended the characterization of heretofore poorly understood cytoplasmic iron puncta.

Kinetics of cellular dissolution in a Cu-Cd alloy

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

Nakkalil, R.; Gupta, S.P.

1989-07-01

Dissolution of the cellular precipitate by cell boundary migration has been studied in a Cu-2 at.% Cd alloy in the temperature range 777--878 K. Microstructural observations have revealed that the process of dissolution begins at the original position of the grain boundary as well as the cell boundary. The steady state rate of cell boundary migration decreased with decreasing temperature of dissolution and became zero at approximately 770 K, which is about 30 K below the equilibrium solves temperature. The boundary diffusivities were determined at a number of temperatures by using the theory of Petermann and Hornbogen modified for dissolution.more » The diffusivity values calculated from the experimental data are seven orders of magnitude higher than the corresponding volume diffusivities. From the temperature dependence of the diffusivity, an activation energy of 157 kJ mol{sup {minus} 1} is obtained, which is bout three-quarters of the activation energy for the bulk diffusion of Cd into Cu. From the diffusivity and activation energy values, it is concluded that the diffusion of Cd along the migrating grain boundaries control the dissolution of the cellular precipitate in this alloy.« less

Theoretical studies in isoelectric focusing. [mathematical modeling and computer simulation for biologicals purification process

NASA Technical Reports Server (NTRS)

Mosher, R. A.; Palusinski, O. A.; Bier, M.

1982-01-01

A mathematical model has been developed which describes the steady state in an isoelectric focusing (IEF) system with ampholytes or monovalent buffers. The model is based on the fundamental equations describing the component dissociation equilibria, mass transport due to diffusion and electromigration, electroneutrality, and the conservation of charge. The validity and usefulness of the model has been confirmed by using it to formulate buffer systems in actual laboratory experiments. The model has been recently extended to include the evolution of transient states not only in IEF but also in other modes of electrophoresis.

Use of dirichlet distributions and orthogonal projection techniques for the fluctuation analysis of steady-state multivariate birth-death systems

NASA Astrophysics Data System (ADS)

Palombi, Filippo; Toti, Simona

2015-05-01

Approximate weak solutions of the Fokker-Planck equation represent a useful tool to analyze the equilibrium fluctuations of birth-death systems, as they provide a quantitative knowledge lying in between numerical simulations and exact analytic arguments. In this paper, we adapt the general mathematical formalism known as the Ritz-Galerkin method for partial differential equations to the Fokker-Planck equation with time-independent polynomial drift and diffusion coefficients on the simplex. Then, we show how the method works in two examples, namely the binary and multi-state voter models with zealots.

Tests of a Lightweight 200 kW MHD Channel and Diffuser.

DTIC Science & Technology

1980-03-01

used for measuring differential electrode voltages. The difference electrode voltage was determined by subtracting voltages that were picked up in...transients, instantaneous accelerations as high as 75 g were recorded. The acceleration peaks during steady-state firing were normally in the 15 g...normally in the range of 0.01 g2/Hz except for narrow peaks at 2-3 kHz which reach 0.05 - 0.1 g /Hz. The highest spectrum measured was accelerometer

Optimizing laboratory-based radon flux measurements for sediments.

PubMed

Chanyotha, Supitcha; Kranrod, Chutima; Kritsananuwat, Rawiwan; Lane-Smith, Derek; Burnett, William C

2016-07-01

Radon flux via diffusion from sediments and other materials may be determined in the laboratory by circulating air through the sample and a radon detector in a closed loop. However, this approach is complicated by the necessity of having to determine the total air volume in the system and accounting for any small air leaks that can arise if using extended measurement periods. We designed a simple open-loop configuration that includes a measured mass of wet sediment and water inside a gas-tight reaction flask connected to a drying system and a radon-in-air analyzer. Ambient air flows through two charcoal columns before entering the reaction vessel to eliminate incoming radon. After traveling through the reaction flask, the air passes the drier and the radon analyzer and is then vented. After some time, the radon activity will reach a steady state depending upon the airflow rate. With this approach, the radon flux via diffusion is simply the product of the steady-state radon activity (Bq/m(3)) multiplied by the airflow rate (mL/min). We demonstrated that this setup could produce good results for materials that produce relatively high radon fluxes. We also show that a modified closed system approach, including radon removal of the incoming air by charcoal filtration in a bypass, can produce very good results including samples with very low emission rates. Copyright © 2016 Elsevier Ltd. All rights reserved.

Modeling Fecal Indicator Bacteria Like Salt in Newport Bay

NASA Astrophysics Data System (ADS)

Ciglar, A. M.; Rippy, M.; Grant, S. B.

2015-12-01

Newport Bay is a harbor and estuary located in Orange County, CA that provides many water sports and recreational activities for millions of southern California residents and tourists. The aim of this study is to quickly assess exceedances of FIB in the Newport Bay which pose a health risk to recreational users. The ability to quickly assess water quality is made possible with an advection-diffusion mass transport model that uses easily measurable parameters such as volumetric flow rate from tributaries. Current FIB assessment methods for Newport Bay take a minimum of 24 hours to evaluate health risk by either culturing for FIB or running a more complex fluid dynamics model. By this time the FIB may have already reached the ocean outlet thus no longer posing a risk in the bay or recreationists may have already come in close contact with contaminated waters. The advection-diffusion model can process and disseminate health risk information within a few hours of flow rate measurements, minimizing time between an FIB exceedance and public awareness about the event. Data used to calibrate and validate the model was collected from January 2006 through February 2007. Salinity data was used for calibration and FIB data was used for validation. Both steady-state and transient conditions were assessed to determine if dry weather patterns can be simplified to the steady-state condition.

Data and Modeling of Dendrites Subject to A Step Change in Pressure (TDSE)

NASA Technical Reports Server (NTRS)

Koss, Matthew B.; LaCombe, J. C.; Glicksman, M. E.; Pines, V.; Chait, A.

2003-01-01

There is considerable interest in dendritic solidification because of the influence dendrites have in the determination of microstructure, and thereby in the physical properties of cast metals and alloys. Current theories and models of dendritic growth generally couple diffusion effects in the melt with the physics of the interface. Data and subsequent analysis prior of the tip growth speed and radii of thermal succinonitrile dendrites in the near-convection free, on-orbit, free-fall environment demonstrate that these theories yield predictions that are reasonably in agreement with the results of experiment. However, data and analysis for assessing the interfacial physics component of theory are not sufficiently detailed or definitive. To study fundamental aspects of dendritic interface stability, we are measuring and modeling the kinetics and morphology of dendrites as they evolve from one well-defined steady state at a pre-set supercooling, through a transient stage, to a different well-defined steady state. More specifically, we subject succinonitrile dendrites, growing under steady-state conditions, to a rapid change in pressure. This leads to a rapid change in thermal driving force from the corresponding change in both the equilibrium melting temperature due to the Clapeyron effect, and a change in the far-field temperature due to adiabatic temperature changes in the bulk liquid and solid. Subsequently, we observe transformations from a well-characterized initial state into a new steady-state. Initial data reveal that the dendrite tip velocity changes almost as fast as the pressure charges, while the tip radius changes occur more slowly, taking from 10 60 seconds depending on the size of the step change and the final supercooling. Computer modeling of this process shows both agreements and disagreements with the experimental data. In making these observations and measurements, we are gaining new understandings of interfacial dynamics and state-selection physics.

On the kinetics of the pack - Aluminization process

NASA Technical Reports Server (NTRS)

Sivakumar, R.; Seigle, L. L.

1976-01-01

An investigation has been made of the aluminization of unalloyed Ni in fluoride-activated packs of varying Al activity. In packs of low Al activity, in which the ratio of Al to Ni was less than 50 at. pct, the specimen surface quickly came to equilibrium with the pack and remained close to equilibrium for the duration of normal coating runs. In these packs the kinetics of aluminization was controlled by diffusion in the solid. In packs of higher Al activity the surface of the specimen did not come to equilibrium with the pack and the kinetics of the process was governed by a combination of solid and gas diffusion rates. Under most conditions however, the surface composition was time-invariant and a steady-state appeared to exist at the pack-coating interface. By combining Levine and Caves' model for gaseous diffusion in pure-Al packs with calculations of solid diffusion rates some success has been achieved in explaining the results.

NRA8-21 Cycle 2 RBCC Turbopump Risk Reduction

NASA Technical Reports Server (NTRS)

Ferguson, Thomas V.; Williams, Morgan; Marcu, Bogdan

2004-01-01

This project was composed of three sub-tasks. The objective of the first task was to use the CFD code INS3D to generate both on- and off-design predictions for the consortium optimized impeller flowfield. The results of the flow simulations are given in the first section. The objective of the second task was to construct a turbomachinery testing database comprised of measurements made on several different impellers, an inducer and a diffuser. The data was in the form of static pressure measurements as well as laser velocimeter measurements of velocities and flow angles within the stated components. Several databases with this information were created for these components. The third subtask objective was two-fold: first, to validate the Enigma CFD code for pump diffuser analysis, and secondly, to perform steady and unsteady analyses on some wide flow range diffuser concepts using Enigma. The code was validated using the consortium optimized impeller database and then applied to two different concepts for wide flow diffusers.

Diffuse-flow conceptualization and simulation of the Edwards aquifer, San Antonio region, Texas

USGS Publications Warehouse

Lindgren, R.J.

2006-01-01

A numerical ground-water-flow model (hereinafter, the conduit-flow Edwards aquifer model) of the karstic Edwards aquifer in south-central Texas was developed for a previous study on the basis of a conceptualization emphasizing conduit development and conduit flow, and included simulating conduits as one-cell-wide, continuously connected features. Uncertainties regarding the degree to which conduits pervade the Edwards aquifer and influence ground-water flow, as well as other uncertainties inherent in simulating conduits, raised the question of whether a model based on the conduit-flow conceptualization was the optimum model for the Edwards aquifer. Accordingly, a model with an alternative hydraulic conductivity distribution without conduits was developed in a study conducted during 2004-05 by the U.S. Geological Survey, in cooperation with the San Antonio Water System. The hydraulic conductivity distribution for the modified Edwards aquifer model (hereinafter, the diffuse-flow Edwards aquifer model), based primarily on a conceptualization in which flow in the aquifer predominantly is through a network of numerous small fractures and openings, includes 38 zones, with hydraulic conductivities ranging from 3 to 50,000 feet per day. Revision of model input data for the diffuse-flow Edwards aquifer model was limited to changes in the simulated hydraulic conductivity distribution. The root-mean-square error for 144 target wells for the calibrated steady-state simulation for the diffuse-flow Edwards aquifer model is 20.9 feet. This error represents about 3 percent of the total head difference across the model area. The simulated springflows for Comal and San Marcos Springs for the calibrated steady-state simulation were within 2.4 and 15 percent of the median springflows for the two springs, respectively. The transient calibration period for the diffuse-flow Edwards aquifer model was 1947-2000, with 648 monthly stress periods, the same as for the conduit-flow Edwards aquifer model. The root-mean-square error for a period of drought (May-November 1956) for the calibrated transient simulation for 171 target wells is 33.4 feet, which represents about 5 percent of the total head difference across the model area. The root-mean-square error for a period of above-normal rainfall (November 1974-July 1975) for the calibrated transient simulation for 169 target wells is 25.8 feet, which represents about 4 percent of the total head difference across the model area. The root-mean-square error ranged from 6.3 to 30.4 feet in 12 target wells with long-term water-level measurements for varying periods during 1947-2000 for the calibrated transient simulation for the diffuse-flow Edwards aquifer model, and these errors represent 5.0 to 31.3 percent of the range in water-level fluctuations of each of those wells. The root-mean-square errors for the five major springs in the San Antonio segment of the aquifer for the calibrated transient simulation, as a percentage of the range of discharge fluctuations measured at the springs, varied from 7.2 percent for San Marcos Springs and 8.1 percent for Comal Springs to 28.8 percent for Leona Springs. The root-mean-square errors for hydraulic heads for the conduit-flow Edwards aquifer model are 27, 76, and 30 percent greater than those for the diffuse-flow Edwards aquifer model for the steady-state, drought, and above-normal rainfall synoptic time periods, respectively. The goodness-of-fit between measured and simulated springflows is similar for Comal, San Marcos, and Leona Springs for the diffuse-flow Edwards aquifer model and the conduit-flow Edwards aquifer model. The root-mean-square errors for Comal and Leona Springs were 15.6 and 21.3 percent less, respectively, whereas the root-mean-square error for San Marcos Springs was 3.3 percent greater for the diffuse-flow Edwards aquifer model compared to the conduit-flow Edwards aquifer model. The root-mean-square errors for San Antonio and San Pedro Springs were appreciably greater, 80.2 and 51.0 percent, respectively, for the diffuse-flow Edwards aquifer model. The simulated water budgets for the diffuse-flow Edwards aquifer model are similar to those for the conduit-flow Edwards aquifer model. Differences in percentage of total sources or discharges for a budget component are 2.0 percent or less for all budget components for the steady-state and transient simulations. The largest difference in terms of the magnitude of water budget components for the transient simulation for 1956 was a decrease of about 10,730 acre-feet per year (about 2 per-cent) in springflow for the diffuse-flow Edwards aquifer model compared to the conduit-flow Edwards aquifer model. This decrease in springflow (a water budget discharge) was largely offset by the decreased net loss of water from storage (a water budget source) of about 10,500 acre-feet per year.

Numerical solutions of Navier-Stokes equations for compressible turbulent two/three dimensional flows in terminal shock region of an inlet/diffuser

NASA Technical Reports Server (NTRS)

Liu, N. S.; Shamroth, S. J.; Mcdonald, H.

1983-01-01

The multidimensional ensemble averaged compressible time dependent Navier Stokes equations in conjunction with mixing length turbulence model and shock capturing technique were used to study the terminal shock type of flows in various flight regimes occurring in a diffuser/inlet model. The numerical scheme for solving the governing equations is based on a linearized block implicit approach and the following high Reynolds number calculations were carried out: (1) 2 D, steady, subsonic; (2) 2 D, steady, transonic with normal shock; (3) 2 D, steady, supersonic with terminal shock; (4) 2 D, transient process of shock development and (5) 3 D, steady, transonic with normal shock. The numerical results obtained for the 2 D and 3 D transonic shocked flows were compared with corresponding experimental data; the calculated wall static pressure distributions agree well with the measured data.

Candle Flames in Microgravity: USML-1 Results - 1 Year Later

NASA Technical Reports Server (NTRS)

Ross, H. D.; Dietrich, D. L.; Tien, J. S.

1994-01-01

We report on the sustained behavior of a candle flame in microgravity determined in the glovebox facility aboard the First United States Microgravity Labomtofy. In a quiescent, microgmvjfy environment, diffusive transport becomes the dominant mode of heat and mass transfer; whether the diffusive transport rate is fast enough to sustain low-gravity candle flames in air was unknown to this series of about 70 tests. After an initial transient in which soot is observed, the microgravity candle flame in air becomes and remains hemispherical and blue (apparently soot-Ne) with a large flame standoff distance. Near flame extinction, spontaneous flame oscillations are regularly observed; these are explained as a flashback of flame through a premixed combustible gas followed by a retreat owed to flame quenching. The frequency of oscillations can be related to diffusive transport rates, and not to residual buoyant convective flow. The fact that the flame tip is the last point of the flame to survive suggests that it is the location of maximum fuel reactivity; this is unlike normal gravity, where the location of maximum fuel reactivity is the flame base. The flame color, size, and shape behaved in a quasi-steady manner; the finite size of the glovebox, combined with the restricted passages of the candlebox, inhibited the observation of true steady-state burning. Nonetheless, through calculations, and inference from the series of shuttle tests, if is concluded that a candle can burn indefinitely in a large enough ambient of air in microgravity. After igniting one candle, a second candle in close pximity could not be lit. This may be due to wax coating the wick and/or local oxygen depletion around the second, unlit candle. Post-mission testing suggests that simultaneous ignition may overcome these behaviors and enable both candles to be ignited.

Vapour-Phase Processes Control Liquid-Phase Isotope Profiles in Unsaturated Sphagnum Moss

NASA Astrophysics Data System (ADS)

Edwards, T. W.; Yi, Y.; Price, J. S.; Whittington, P. N.

2009-05-01

Seminal work in the early 1980s clearly established the basis for predicting patterns of heavy-isotope enrichment of pore waters in soils undergoing evaporation. A key feature of the process under steady-state conditions is the development of stable, convex-upward profiles whose shape is controlled by the balance between downward-diffusing heavy isotopologues concentrated by evaporative enrichment at the surface and the upward capillary flow of bulk water that maintains the evaporative flux. We conducted an analogous experiment to probe evaporation processes within 20-cm columns of unsaturated, living and dead (but undecomposed) Sphagnum moss evaporating under controlled conditions, while maintaining a constant water table. The experiment provided striking evidence of the importance of vapour-liquid mass and isotope exchange in the air-filled pores of the Sphagnum columns, as evidenced by the rapid development of hydrologic and isotopic steady-state within hours, rather than days, i.e., an order of magnitude faster than possible by liquid-phase processes alone. This is consistent with the notion that vapour-phase processes effectively "short-circuit" mass and isotope fluxes within the Sphagnum columns, as proposed also in recent characterizations of water dynamics in transpiring leaves. Additionally, advection-diffusion modelling of our results supports independent estimates of the effective liquid-phase diffusivities of the respective heavy water isotopologues, 2.380 x 10-5 cm2 s-1 for 1H1H18O and 2.415 x 10-5 cm2 s-1 for 1H2H16O, which are in notably good agreement with the "default" values that are typically assumed in soil and plant water studies.

An enriched finite element method to fractional advection-diffusion equation

NASA Astrophysics Data System (ADS)

Luan, Shengzhi; Lian, Yanping; Ying, Yuping; Tang, Shaoqiang; Wagner, Gregory J.; Liu, Wing Kam

2017-08-01

In this paper, an enriched finite element method with fractional basis [ 1,x^{α }] for spatial fractional partial differential equations is proposed to obtain more stable and accurate numerical solutions. For pure fractional diffusion equation without advection, the enriched Galerkin finite element method formulation is demonstrated to simulate the exact solution successfully without any numerical oscillation, which is advantageous compared to the traditional Galerkin finite element method with integer basis [ 1,x] . For fractional advection-diffusion equation, the oscillatory behavior becomes complex due to the introduction of the advection term which can be characterized by a fractional element Peclet number. For the purpose of addressing the more complex numerical oscillation, an enriched Petrov-Galerkin finite element method is developed by using a dimensionless fractional stabilization parameter, which is formulated through a minimization of the residual of the nodal solution. The effectiveness and accuracy of the enriched finite element method are demonstrated by a series of numerical examples of fractional diffusion equation and fractional advection-diffusion equation, including both one-dimensional and two-dimensional, steady-state and time-dependent cases.

Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery

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

Chen, Chun-Hao; Chason, Eric; Guduru, Pradeep R.

Here, we have previously observed a large transient stress in Sn film anodes at the beginning of the Sn-Li 2Sn 5 phase transformation. To understand this behavior, we use numerical modeling to simulate the kinetics of the 1-D moving boundary and Li diffusion in the Sn anodes. A mixture of diffusion-controlled and interface-controlled kinetics is found. The Li concentration in the Li 2Sn 5 phase remains near a steady-state profile as the phase boundary propagates, whereas the Li diffusion in Sn is more complicated. Li continuously diffuses into the Sn layer and produces a supersaturation; the Li can then diffusemore » toward the Sn/Li 2Sn 5 interface and contribute to further phase transformation. Finally, the evolution of Li concentration in the Sn induces strain which involves rate-dependent plasticity and elastic unloading, resulting in the complex stress evolution that is observed. In the long term, the measured stress is dominated by the stress in the growing Li 2Sn 5 phase.« less

Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery

DOE PAGES

Chen, Chun-Hao; Chason, Eric; Guduru, Pradeep R.

2017-08-02

Here, we have previously observed a large transient stress in Sn film anodes at the beginning of the Sn-Li 2Sn 5 phase transformation. To understand this behavior, we use numerical modeling to simulate the kinetics of the 1-D moving boundary and Li diffusion in the Sn anodes. A mixture of diffusion-controlled and interface-controlled kinetics is found. The Li concentration in the Li 2Sn 5 phase remains near a steady-state profile as the phase boundary propagates, whereas the Li diffusion in Sn is more complicated. Li continuously diffuses into the Sn layer and produces a supersaturation; the Li can then diffusemore » toward the Sn/Li 2Sn 5 interface and contribute to further phase transformation. Finally, the evolution of Li concentration in the Sn induces strain which involves rate-dependent plasticity and elastic unloading, resulting in the complex stress evolution that is observed. In the long term, the measured stress is dominated by the stress in the growing Li 2Sn 5 phase.« less

Competing opinion diffusion on social networks.

PubMed

Hu, Haibo

2017-11-01

Opinion competition is a common phenomenon in real life, such as with opinions on controversial issues or political candidates; however, modelling this competition remains largely unexplored. To bridge this gap, we propose a model of competing opinion diffusion on social networks taking into account degree-dependent fitness or persuasiveness. We study the combined influence of social networks, individual fitnesses and attributes, as well as mass media on people's opinions, and find that both social networks and mass media act as amplifiers in opinion diffusion, the amplifying effect of which can be quantitatively characterized. We analytically obtain the probability that each opinion will ultimately pervade the whole society when there are no committed people in networks, and the final proportion of each opinion at the steady state when there are committed people in networks. The results of numerical simulations show good agreement with those obtained through an analytical approach. This study provides insight into the collective influence of individual attributes, local social networks and global media on opinion diffusion, and contributes to a comprehensive understanding of competing diffusion behaviours in the real world.

Competing opinion diffusion on social networks

PubMed Central

2017-01-01

Opinion competition is a common phenomenon in real life, such as with opinions on controversial issues or political candidates; however, modelling this competition remains largely unexplored. To bridge this gap, we propose a model of competing opinion diffusion on social networks taking into account degree-dependent fitness or persuasiveness. We study the combined influence of social networks, individual fitnesses and attributes, as well as mass media on people’s opinions, and find that both social networks and mass media act as amplifiers in opinion diffusion, the amplifying effect of which can be quantitatively characterized. We analytically obtain the probability that each opinion will ultimately pervade the whole society when there are no committed people in networks, and the final proportion of each opinion at the steady state when there are committed people in networks. The results of numerical simulations show good agreement with those obtained through an analytical approach. This study provides insight into the collective influence of individual attributes, local social networks and global media on opinion diffusion, and contributes to a comprehensive understanding of competing diffusion behaviours in the real world. PMID:29291101

Aggregation-fragmentation-diffusion model for trail dynamics

DOE PAGES

Kawagoe, Kyle; Huber, Greg; Pradas, Marc; ...

2017-07-21

We investigate statistical properties of trails formed by a random process incorporating aggregation, fragmentation, and diffusion. In this stochastic process, which takes place in one spatial dimension, two neighboring trails may combine to form a larger one, and also one trail may split into two. In addition, trails move diffusively. The model is defined by two parameters which quantify the fragmentation rate and the fragment size. In the long-time limit, the system reaches a steady state, and our focus is the limiting distribution of trail weights. We find that the density of trail weight has power-law tail P(w)~w –γ formore » small weight w. We obtain the exponent γ analytically and find that it varies continuously with the two model parameters. In conclusion, the exponent γ can be positive or negative, so that in one range of parameters small-weight trails are abundant and in the complementary range they are rare.« less

Comptonization of X-rays by low-temperature electrons. [photon wavelength redistribution in cosmic sources

NASA Technical Reports Server (NTRS)

Illarionov, A.; Kallman, T.; Mccray, R.; Ross, R.

1979-01-01

A method is described for calculating the spectrum that results from the Compton scattering of a monochromatic source of X-rays by low-temperature electrons, both for initial-value relaxation problems and for steady-state spatial diffusion problems. The method gives an exact solution of the inital-value problem for evolution of the spectrum in an infinite homogeneous medium if Klein-Nishina corrections to the Thomson cross section are neglected. This, together with approximate solutions for problems in which Klein-Nishina corrections are significant and/or spatial diffusion occurs, shows spectral structure near the original photon wavelength that may be used to infer physical conditions in cosmic X-ray sources. Explicit results, shown for examples of time relaxation in an infinite medium and spatial diffusion through a uniform sphere, are compared with results obtained by Monte Carlo calculations and by solving the appropriate Fokker-Planck equation.

Evolution of passive movement in advective environments: General boundary condition

NASA Astrophysics Data System (ADS)

Zhou, Peng; Zhao, Xiao-Qiang

2018-03-01

In a previous work [16], Lou et al. studied a Lotka-Volterra competition-diffusion-advection system, where two species are supposed to differ only in their advection rates and the environment is assumed to be spatially homogeneous and closed (no-flux boundary condition), and showed that weaker advective movements are more beneficial for species to win the competition. In this paper, we aim to extend this result to a more general situation, where the environmental heterogeneity is taken into account and the boundary condition at the downstream end becomes very flexible including the standard Dirichlet, Neumann and Robin type conditions as special cases. Our main approaches are to exclude the existence of co-existence (positive) steady state and to provide a clear picture on the stability of semi-trivial steady states, where we introduced new ideas and techniques to overcome the emerging difficulties. Based on these two aspects and the theory of abstract competitive systems, we achieve a complete understanding on the global dynamics.

Non-steady state simulation of BOM removal in drinking water biofilters: model development.

PubMed

Hozalski, R M; Bouwer, E J

2001-01-01

A numerical model was developed to simulate the non-steady-state behavior of biologically-active filters used for drinking water treatment. The biofilter simulation model called "BIOFILT" simulates the substrate (biodegradable organic matter or BOM) and biomass (both attached and suspended) profiles in a biofilter as a function of time. One of the innovative features of BIOFILT compared to previous biofilm models is the ability to simulate the effects of a sudden loss in attached biomass or biofilm due to filter backwash on substrate removal performance. A sensitivity analysis of the model input parameters indicated that the model simulations were most sensitive to the values of parameters that controlled substrate degradation and biofilm growth and accumulation including the substrate diffusion coefficient, the maximum rate of substrate degradation, the microbial yield coefficient, and a dimensionless shear loss coefficient. Variation of the hydraulic loading rate or other parameters that controlled the deposition of biomass via filtration did not significantly impact the simulation results.

Spatiotemporal evolution in a (2+1)-dimensional chemotaxis model

NASA Astrophysics Data System (ADS)

Banerjee, Santo; Misra, Amar P.; Rondoni, L.

2012-01-01

Simulations are performed to investigate the nonlinear dynamics of a (2+1)-dimensional chemotaxis model of Keller-Segel (KS) type, with a logistic growth term. Because of its ability to display auto-aggregation, the KS model has been widely used to simulate self-organization in many biological systems. We show that the corresponding dynamics may lead to steady-states, to divergencies in a finite time as well as to the formation of spatiotemporal irregular patterns. The latter, in particular, appears to be chaotic in part of the range of bounded solutions, as demonstrated by the analysis of wavelet power spectra. Steady-states are achieved with sufficiently large values of the chemotactic coefficient (χ) and/or with growth rates r below a critical value rc. For r>rc, the solutions of the differential equations of the model diverge in a finite time. We also report on the pattern formation regime, for different values of χ, r and of the diffusion coefficient D.

Two dimensional, transient catalytic combustion of CO-air on platinum

NASA Technical Reports Server (NTRS)

Sinha, N.; Bruno, C.; Bracco, F. V.

1985-01-01

The light off transient of catalytic combustion of lean CO-air mixtures in a platinum coated channel of a honeycomb monolith is studied with a model that resolves transient radial and axial gradients in both the gas and the solid. For the conditions studied it is concluded that: the initial heat release occurs near the entrance at the gas-solid interface and is controlled by heterogeneous reactions; large spatial and temporal temperature gradients occur in the solid near the entrance controlled mostly by the availability of fuel; the temperature of the solid near the entrance achieves almost its steady state value before significant heating of the back; heterogeneous reactions and the gas heated up front and flowing downstream heat the back of the solid; the overall transient time is controlled by the thermal inertia of the solid and by forced convection; radiation significantly influences both transient and steady state particularly near the entrance; the oxidation of CO occurs mostly on the catalyst and becomes diffusion controlled soon into the transient.

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

Chen, Y.; Yi, H. T.; Wu, X.

Impressive performance of hybrid perovskite solar cells reported in recent years still awaits a comprehensive understanding of its microscopic origins. In this work, the intrinsic Hall mobility and photocarrier recombination coefficient are directly measured in these materials in steady-state transport studies. The results show that electron-hole recombination and carrier trapping rates in hybrid perovskites are very low. The bimolecular recombination coefficient (10 –11 to 10 –10 cm 3 s –1) is found to be on par with that in the best direct-band inorganic semiconductors, even though the intrinsic Hall mobility in hybrid perovskites is considerably lower (up to 60 cmmore » 2 V –1 s –1). Measured here, steady-state carrier lifetimes (of up to 3 ms) and diffusion lengths (as long as 650 μm) are significantly longer than those in high-purity crystalline inorganic semiconductors. As a result, we suggest that these experimental findings are consistent with the polaronic nature of charge carriers, resulting from an interaction of charges with methylammonium dipoles.« less

Mass-transfer limitations for immobilized enzyme-catalyzed kinetic resolution of racemate in a fixed-bed reactor.

PubMed

Xiu, G H; Jiang, L; Li, P

2001-07-05

A mathematical model has been developed for immobilized enzyme-catalyzed kinetic resolution of racemate in a fixed-bed reactor in which the enzyme-catalyzed reaction (the irreversible uni-uni competitive Michaelis-Menten kinetics is chosen as an example) was coupled with intraparticle diffusion, external mass transfer, and axial dispersion. The effects of mass-transfer limitations, competitive inhibition of substrates, deactivation on the enzyme effective enantioselectivity, and the optical purity and yield of the desired product are examined quantitatively over a wide range of parameters using the orthogonal collocation method. For a first-order reaction, an analytical solution is derived from the mathematical model for slab-, cylindrical-, and spherical-enzyme supports. Based on the analytical solution for the steady-state resolution process, a new concise formulation is presented to predict quantitatively the mass-transfer limitations on enzyme effective enantioselectivity and optical purity and yield of the desired product for a continuous steady-state kinetic resolution process in a fixed-bed reactor. Copyright 2001 John Wiley & Sons, Inc.

Calculation method for steady-state pollutant concentration in mixing zones considering variable lateral diffusion coefficient.

PubMed

Wu, Wen; Wu, Zhouhu; Song, Zhiwen

2017-07-01

Prediction of the pollutant mixing zone (PMZ) near the discharge outfall in Huangshaxi shows large error when using the methods based on the constant lateral diffusion assumption. The discrepancy is due to the lack of consideration of the diffusion coefficient variation. The variable lateral diffusion coefficient is proposed to be a function of the longitudinal distance from the outfall. Analytical solution of the two-dimensional advection-diffusion equation of a pollutant is derived and discussed. Formulas to characterize the geometry of the PMZ are derived based on this solution, and a standard curve describing the boundary of the PMZ is obtained by proper choices of the normalization scales. The change of PMZ topology due to the variable diffusion coefficient is then discussed using these formulas. The criterion of assuming the lateral diffusion coefficient to be constant without large error in PMZ geometry is found. It is also demonstrated how to use these analytical formulas in the inverse problems including estimating the lateral diffusion coefficient in rivers by convenient measurements, and determining the maximum allowable discharge load based on the limitations of the geometrical scales of the PMZ. Finally, applications of the obtained formulas to onsite PMZ measurements in Huangshaxi present excellent agreement.

Ion Current Rectification, Limiting and Overlimiting Conductances in Nanopores

PubMed Central

van Oeffelen, Liesbeth; Van Roy, Willem; Idrissi, Hosni; Charlier, Daniel; Lagae, Liesbet; Borghs, Gustaaf

2015-01-01

Previous reports on Poisson-Nernst-Planck (PNP) simulations of solid-state nanopores have focused on steady state behaviour under simplified boundary conditions. These are Neumann boundary conditions for the voltage at the pore walls, and in some cases also Donnan equilibrium boundary conditions for concentrations and voltages at both entrances of the nanopore. In this paper, we report time-dependent and steady state PNP simulations under less restrictive boundary conditions, including Neumann boundary conditions applied throughout the membrane relatively far away from the nanopore. We simulated ion currents through cylindrical and conical nanopores with several surface charge configurations, studying the spatial and temporal dependence of the currents contributed by each ion species. This revealed that, due to slow co-diffusion of oppositely charged ions, steady state is generally not reached in simulations or in practice. Furthermore, it is shown that ion concentration polarization is responsible for the observed limiting conductances and ion current rectification in nanopores with asymmetric surface charges or shapes. Hence, after more than a decade of collective research attempting to understand the nature of ion current rectification in solid-state nanopores, a relatively intuitive model is retrieved. Moreover, we measured and simulated current-voltage characteristics of rectifying silicon nitride nanopores presenting overlimiting conductances. The similarity between measurement and simulation shows that overlimiting conductances can result from the increased conductance of the electric double-layer at the membrane surface at the depletion side due to voltage-induced polarization charges. The MATLAB source code of the simulation software is available via the website http://micr.vub.ac.be. PMID:25978328

Aerodynamic Performance of a Compact, High Work-Factor Centrifugal Compressor at the Stage and Subcomponent Level

NASA Technical Reports Server (NTRS)

Braunscheidel, Edward P.; Welch, Gerard E.; Skoch, Gary J.; Medic, Gorazd; Sharma, Om P.

2015-01-01

The measured aerodynamic performance of a compact, high work-factor, single-stage centrifugal compressor, comprising an impeller, diffuser, 90deg-bend, and exit guide vane is reported. Performance levels are based on steady-state total-pressure and total-temperature rake and angularity-probe data acquired at key machine rating planes during recent testing at NASA Glenn Research Center. Aerodynamic performance at the stage level is reported for operation between 70 to 105 percent of design corrected speed, with subcomponent (impeller, diffuser, and exit-guide-vane) flow field measurements presented and discussed at the 100 percent design-speed condition. Individual component losses from measurements are compared with pre-test CFD predictions on a limited basis.

Twirling and Whirling: Viscous Dynamics of Rotating Elastica

NASA Astrophysics Data System (ADS)

Wolgemuth, Charles; Powers, Thomas; Goldstein, Raymond

1999-10-01

The stability of forced elastic filaments arise in several important biological settings involving bend and twist elasticity at low Reynolds number. Examples include DNA transcription and replication and bacterial flagellar motion. In order to elucidate fundamental processes common to these systems, we consider the model problem of a rotationally forced filament with twist and bend elasticity. Competition between twist injection, twist diffusion, and writhing instabilities is described by a novel pair of PDEs for twist and bend evolution. Analytical and numerical methods elucidate the twist/bend coupling and reveal two dynamical regimes seperated by a Hopf bifurcation: (i) diffusion-dominated axial rotation, or twirling, and (ii) steady-state crankshafting motion, or whirling. Experiments are proposed to examine these phenomena and the consequences for swimming investigated.

A computational study of radiation and gravity effect on temperature and soot formation in a methane air co-flow diffusion flame

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

Bhowal, Arup Jyoti, E-mail: arupjyoti.bhowal@heritageit.edu; Mandal, Bijan Kumar, E-mail: bkm375@yahoo.co.in

An effort has been made for a quantitative assessment of the soot formed under steady state in a methane air co flow diffusion flame by a numerical simulation at normal gravity and at lower gravity levels of 0.5 G, 0.1 G and 0.0001 G (microgravity). The peak temperature at microgravity is reduced by about 50 K than that at normal gravity level. There is an augmentation of soot formation at lower gravity levels. Peak value at microgravity multiplies by a factor of ∼7 of that at normal gravity. However, if radiation is not considered, soot formation is found to bemore » much more.« less

A Reaction-Diffusion Model of Vector-Borne Disease with Periodic Delays

NASA Astrophysics Data System (ADS)

Wu, Ruiwen; Zhao, Xiao-Qiang

2018-06-01

A vector-borne disease is caused by a range of pathogens and transmitted to hosts through vectors. To investigate the multiple effects of the spatial heterogeneity, the temperature sensitivity of extrinsic incubation period and intrinsic incubation period, and the seasonality on disease transmission, we propose a nonlocal reaction-diffusion model of vector-borne disease with periodic delays. We introduce the basic reproduction number R_0 for this model and then establish a threshold-type result on its global dynamics in terms of R_0 . In the case where all the coefficients are constants, we also prove the global attractivity of the positive constant steady state when R_0>1 . Numerically, we study the malaria transmission in Maputo Province, Mozambique.

Efficient ultraviolet photorefraction in LiNbO3

NASA Astrophysics Data System (ADS)

Jungen, R.; Angelow, G.; Laeri, F.; Grabmaier, C.

1992-07-01

A nominally undoped LiNbO3 crystal with a slightly broadened absorption edge is used to study beam coupling effects in the UV at 351 nm. At this wavelength the crystal exhibits a diffusion-dominated charge transport mechanism, which allows steady state beam amplification of up to 700 times, comparable to BaTiO3 in the visible. The used crystal material was characterized by an absorption coefficient α=2.68 cm-1 at 351 nm and a maximal gain coefficient Г=13.94 cm-1. This high gain value in the UV can be attributed to a hole diffusion-dominated charge transport mechanism together with a low bulk photovoltaic effect. We measured photovoltaic fields of the order of 550 V/cm.

Aerodynamic Performance of a Compact, High Work-Factor Centrifugal Compressor at the Stage and Subcomponent Level

NASA Technical Reports Server (NTRS)

Braunscheidel, Edward P.; Welch, Gerard E.; Skoch, Gary J.; Medic, Gorazd; Sharma, Om P.

2014-01-01

The measured aerodynamic performance of a compact, high work-factor, single-stage centrifugal compressor, comprising an impeller, diffuser, 90º-bend, and exit guide vane is reported. Performance levels are based on steady-state total-pressure and total-temperature rake and angularity-probe data acquired at key machine rating planes during recent testing at NASA Glenn Research Center. Aerodynamic performance at the stage level is reported for operation between 70 to 105% of design corrected speed, with subcomponent (impeller, diffuser, and exit-guide-vane) flow field measurements presented and discussed at the 100% design-speed condition. Individual component losses from measurements are compared with pre-test CFD predictions on a limited basis.

On the Mass Distribution of Animal Species

NASA Astrophysics Data System (ADS)

Redner, Sidney; Clauset, Aaron; Schwab, David

2009-03-01

We develop a simple diffusion-reaction model to account for the broad and asymmetric distribution of adult body masses for species within related taxonomic groups. The model assumes three basic evolutionary features that control body mass: (i) a fixed lower limit that is set by metabolic constraints, (ii) a species extinction risk that is a weakly increasing function of body mass, and (iii) cladogenetic diffusion, in which daughter species have a slight tendency toward larger mass. The steady-state solution for the distribution of species masses in this model can be expressed in terms of the Airy function. This solution gives mass distributions that are in good agreement with data on 4002 terrestrial mammal species from the late Quaternary and 8617 extant bird species.

The electron diffusion coefficient in Jupiter's magnetosphere

NASA Technical Reports Server (NTRS)

Birmingham, T.; Northrop, T.; Baxter, R.; Hess, W.; Lojko, M.

1974-01-01

A steady-state model of Jupiter's electron radiation belt is developed. The model includes injection from the solar wind, radial diffusion, energy degradation by synchrotron radiation, and absorption at Jupiter's surface. A diffusion coefficient of the form D sub RR/R sub J squared = k times R to the m-th power is assumed, and then observed data on synchrotron radiation are used to fit the model. The free parameters determined from this fit are m = 1.95 plus or minus 0.5, k = 1.7 plus or minus 0.5 x 10 to the 9th power per sec, and the magnetic moment of injected particles equals 770 plus or minus 300 MeV/G. The value of m shows quite clearly that the diffusion is not caused by magnetic pumping by a variable solar wind or by a fluctuating convection electric field. The process might be field line exchange driven by atmospheric-ionospheric winds; our diffusion coefficient has roughly the same radial dependence but is considerably smaller in magnitude than the upper bound diffusion coefficients recently suggested for this process by Brice and McDonough (1973) and Jacques and Davis (1972).

Restricted exchange microenvironments for cell culture.

PubMed

Hoh, Jan H; Werbin, Jeffrey L; Heinz, William F

2018-03-01

Metabolite diffusion in tissues produces gradients and heterogeneous microenvironments that are not captured in standard 2D cell culture models. Here we describe restricted exchange environment chambers (REECs) in which diffusive gradients are formed and manipulated on length scales approximating those found in vivo. In REECs, cells are grown in 2D in an asymmetric chamber (<50 μL) formed between a coverglass and a glass bottom cell culture dish separated by a thin (~100 μm) gasket. Diffusive metabolite exchange between the chamber and bulk media occurs through one or more openings micromachined into the coverglass. Cell-generated concentration gradients form radially in REECs with a single round opening (~200 μm diameter). At steady state only cells within several hundred micrometers of the opening experience metabolite concentrations that permit survival which is analogous to diffusive exchange near a capillary in tissue. The chamber dimensions, the openings' shape, size, and number, and the cellular density and metabolic activity define the gradient structure. For example, two parallel slots above confluent cells produce the 1D equivalent of a spheroid. Using REECs, we found that fibroblasts align along the axis of diffusion while MDCK cells do not. MDCK cells do, however, exhibit significant morphological variations along the diffusive gradient.

Diffusion doping in quantum dots: bond strength and diffusivity.

PubMed

Saha, Avijit; Makkar, Mahima; Shetty, Amitha; Gahlot, Kushagra; A R, Pavan; Viswanatha, Ranjani

2017-02-23

Semiconducting materials uniformly doped with optical or magnetic impurities have been useful in a number of potential applications. However, clustering or phase separation during synthesis has made this job challenging. Recently the "inside out" diffusion doping was proposed to be successful in obtaining large sized quantum dots (QDs) uniformly doped with a dilute percentage of dopant atoms. Herein, we demonstrate the use of basic physical chemistry of diffusion to control the size and concentration of the dopants within the QDs for a given transition metal ion. We have studied three parameters; the bond strength of the core molecules and the diffusion coefficient of the diffusing metal ion are found to be important while the ease of cation exchange was not highly influential in the control of size and concentration of the single domain dilute magnetic semiconductor quantum dots (DMSQDs) with diverse dopant ions M 2+ (Fe 2+ , Ni 2+ , Co 2+ , Mn 2+ ). Steady state optical emission spectra reveal that the dopants are incorporated inside the semiconducting CdS and the emission can be tuned during shell growth. We have shown that this method enables control over doping percentage and the QDs show a superior ferromagnetic response at room temperature as compared to previously reported systems.

Treatment of boundary conditions in through-diffusion: A case study of (85)Sr(2+) diffusion in compacted illite.

PubMed

Glaus, M A; Aertsens, M; Maes, N; Van Laer, L; Van Loon, L R

2015-01-01

Valuable techniques to measure effective diffusion coefficients in porous media are an indispensable prerequisite for a proper understanding of the migration of chemical-toxic and radioactive micropollutants in the subsurface and geosphere. The present article discusses possible pitfalls and difficulties in the classical through-diffusion technique applied to situations where large diffusive fluxes of cations in compacted clay minerals or clay rocks occur. The results obtained from a benchmark study, in which the diffusion of (85)Sr(2+) tracer in compacted illite has been studied using different experimental techniques, are presented. It is shown that these techniques may yield valuable results provided that an appropriate model is used for numerical simulations. It is further shown that effective diffusion coefficients may be systematically underestimated when the concentration at the downstream boundary is not taken adequately into account in modelling, even for very low concentrations. A criterion is derived for quasi steady-state situations, by which it can be decided whether the simplifying assumption of a zero-concentration at the downstream boundary in through-diffusion is justified or not. The application of the criterion requires, however, knowledge of the effective diffusion coefficient of the clay sample. Such knowledge is often absent or only approximately available during the planning phase of a diffusion experiment. Copyright © 2015 Elsevier B.V. All rights reserved.

Reducing numerical diffusion for incompressible flow calculations

NASA Technical Reports Server (NTRS)

Claus, R. W.; Neely, G. M.; Syed, S. A.

1984-01-01

A number of approaches for improving the accuracy of incompressible, steady-state flow calculations are examined. Two improved differencing schemes, Quadratic Upstream Interpolation for Convective Kinematics (QUICK) and Skew-Upwind Differencing (SUD), are applied to the convective terms in the Navier-Stokes equations and compared with results obtained using hybrid differencing. In a number of test calculations, it is illustrated that no single scheme exhibits superior performance for all flow situations. However, both SUD and QUICK are shown to be generally more accurate than hybrid differencing.

The origin of cosmic rays

NASA Technical Reports Server (NTRS)

Eichler, D.

1986-01-01

Data related to the development of cosmic rays are discussed. The relationship between cosmic ray production and the steady-state Boltzmann equation is analyzed. The importance of the power-law spectrum, the scattering rate, the theory of shock acceleration, anisotropic instabilities, and cosmic ray diffusion in the formation of cosmic rays is described. It is noted that spacecraft observations at the earth's bow shock are useful for studying cosmic rays and that the data support the collisionless shock-wave theory of cosmic ray origin.

Mathematical model for steady state, simple ampholyte isoelectric focusing: Development, computer simulation and implementation

NASA Technical Reports Server (NTRS)

Palusinski, O. A.; Allgyer, T. T.

1979-01-01

The elimination of Ampholine from the system by establishing the pH gradient with simple ampholytes is proposed. A mathematical model was exercised at the level of the two-component system by using values for mobilities, diffusion coefficients, and dissociation constants representative of glutamic acid and histidine. The constants assumed in the calculations are reported. The predictions of the model and computer simulation of isoelectric focusing experiments are in direct importance to obtain Ampholine-free, stable pH gradients.

Transient Numerical Modeling of Catalytic Channels

NASA Technical Reports Server (NTRS)

Struk, Peter M.; Dietrich, Daniel L.; Miller, Fletcher J.; T'ien, James S.

2007-01-01

This paper presents a transient model of catalytic combustion suitable for isolated channels and monolith reactors. The model is a lumped two-phase (gas and solid) model where the gas phase is quasi-steady relative to the transient solid. Axial diffusion is neglected in the gas phase; lateral diffusion, however, is accounted for using transfer coefficients. The solid phase includes axial heat conduction and external heat loss due to convection and radiation. The combustion process utilizes detailed gas and surface reaction models. The gas-phase model becomes a system of stiff ordinary differential equations while the solid phase reduces, after discretization, into a system of stiff ordinary differential-algebraic equations. The time evolution of the system came from alternating integrations of the quasi-steady gas and transient solid. This work outlines the numerical model and presents some sensitivity studies on important parameters including internal transfer coefficients, catalytic surface site density, and external heat-loss (if applicable). The model is compared to two experiments using CO fuel: (1) steady-state conversion through an isothermal platinum (Pt) tube and (2) transient propagation of a catalytic reaction inside a small Pt tube. The model requires internal mass-transfer resistance to match the experiments at lower residence times. Under mass-transport limited conditions, the model reasonably predicted exit conversion using global mass-transfer coefficients. Near light-off, the model results did not match the experiment precisely even after adjustment of mass-transfer coefficients. Agreement improved for the first case after adjusting the surface kinetics such that the net rate of CO adsorption increased compared to O2. The CO / O2 surface mechanism came from a sub-set of reactions in a popular CH4 / O2 mechanism. For the second case, predictions improved for lean conditions with increased external heat loss or adjustment of the kinetics as in the first case. Finally, the results show that different initial surface-species distribution leads to different steady-states under certain conditions. These results demonstrate the utility of a lumped two-phase model of a transient catalytic combustor with detailed chemistry.

Reduced quasilinear models for energetic particles interaction with Alfvenic eigenmodes

NASA Astrophysics Data System (ADS)

Ghantous, Katy

The Line Broadened Quasilinear (LBQ) and the 1.5D reduced models are able to predict the effect of Alfvenic eigenmodes' interaction with energetic particles in burning plasmas. This interaction can result in energetic-particle losses that can damage the first wall, deteriorate the plasma performance, and even prevent ignition. The 1.5D model assumes a broad spectrum of overlapping modes and, based on analytic expressions for the growth and damping rates, calculates the pressure profiles that the energetic particles relax to upon interacting with the modes. 1.5D is validated with DIII-D experiments and predicted neutron losses consistent with observation. The model is employed to predict alpha-particle fusion-product losses in a large-scale operational parameter-space for burning plasmas. The LBQ model captures the interaction both in the regime of isolated modes as well as in the conventional regime of overlapping modes. Rules were established that allow quasilinear equations to replicate the expected steady-state saturation levels of isolated modes. The fitting formula is improved and the model is benchmarked with a Vlasov code, BOT. The saturation levels are accurately predicted and the mode evolution is well-replicated in the case of steady-state evolution where the collisions are high enough that coherent structures do not form. When the collisionality is low, oscillatory behavior can occur. LBQ can also exhibit non-steady behavior, but the onset of oscillations occurs for much higher collisional rates in BOT than in LBQ. For certain parameters of low collisionality, hole-clump creation and frequency chirping can occur which are not captured by the LBQ model. Also, there are cases of non-steady evolution without chirping which is possible for LBQ to study. However the results are inconclusive since the periods and amplitudes of the oscillations in the mode evolution are not well-replicated. If multiple modes exist, they can grow to the point of overlap which results in two-dimensional diffusion with cross terms. A diffusion scheme is proposed and validated to resolve this dynamics in (Pφ,E) phase-space.

Combined magnetic and kinetic control of advanced tokamak steady state scenarios based on semi-empirical modelling

DOE PAGES

Moreau, Didier; Artaud, J. F.; Ferron, John R.; ...

2015-05-01

This paper shows that semi-empirical data-driven models based on a twotime- scale approximation for the magnetic and kinetic control of advanced tokamak (AT) scenarios can be advantageously identified from simulated rather than real data, and used for control design. The method is applied to the combined control of the safety factor profile, q(x), and normalized pressure parameter, β N, using DIII-D parameters and actuators (on-axis co-current neutral beam injection (NBI) power, off axis co-current NBI power, electron cyclotron current drive power, and ohmic coil). The approximate plasma response model was identified from simulated data obtained using a rapidly converging plasmamore » transport code, METIS, which includes an MHD equilibrium and current diffusion solver, and combines plasma transport nonlinearity with 0-D scaling laws and 1.5-D ordinary differential equations. A number of open loop simulations were performed, in which the heating and current drive (H&CD) sources were randomly modulated around the typical values of a reference AT discharge on DIIID. Using these simulated data, a two-time-scale state space model was obtained for the coupled evolution of the poloidal flux profile and βN parameter, and a controller was synthesized based on the near-optimal ARTAEMIS algorithm [D. Moreau et al., Nucl. Fusion 53 (2013) 063020]. The paper discusses the results of closed-loop nonlinear simulations, using this controller for steady state AT operation. With feedforward plus feedback control, the steady state target q-profile and β N are satisfactorily tracked with a time scale of about ten seconds, despite large disturbances applied to the feedforward powers and plasma parameters. The effectiveness of the control algorithm is thus demonstrated for long pulse and steady state high-β N AT discharges. Its robustness with respect to disturbances of the H&CD actuators and of plasma parameters such as the H-factor, plasma density and effective charge, is also shown.« less

A comparison between implicit and hybrid methods for the calculation of steady and unsteady inlet flows

NASA Technical Reports Server (NTRS)

Coakley, T. J.; Hsieh, T.

1985-01-01

Numerical simulation of steady and unsteady transonic diffuser flows using two different computer codes are discussed and compared with experimental data. The codes solve the Reynolds-averaged, compressible, Navier-Stokes equations using various turbulence models. One of the codes has been applied extensively to diffuser flows and uses the hybrid method of MacCormack. This code is relatively inefficient numerically. The second code, which was developed more recently, is fully implicit and is relatively efficient numerically. Simulations of steady flows using the implicit code are shown to be in good agreement with simulations using the hybrid code. Both simulations are in good agreement with experimental results. Simulations of unsteady flows using the two codes are in good qualitative agreement with each other, although the quantitative agreement is not as good as in the steady flow cases. The implicit code is shown to be eight times faster than the hybrid code for unsteady flow calculations and up to 32 times faster for steady flow calculations. Results of calculations using alternative turbulence models are also discussed.

Effective diffusion coefficients of DNAPL waste components in saturated low permeability soil materials

NASA Astrophysics Data System (ADS)

Ayral-Cinar, Derya; Demond, Avery H.

2017-12-01

Diffusion is regarded as the dominant transport mechanism into and out of low permeable subsurface lenses and layers in the subsurface. But, some reports of mass storage in such zones are higher than what might be attributable to diffusion, based on estimated diffusion coefficients. Despite the importance of diffusion to efforts to estimate the quantity of residual contamination in the subsurface, relatively few studies present measured diffusion coefficients of organic solutes in saturated low permeability soils. This study reports the diffusion coefficients of a trichloroethylene (TCE), and an anionic surfactant, Aerosol OT (AOT), in water-saturated silt and a silt-montmorillonite (25:75) mixture, obtained using steady-state experiments. The relative diffusivity ranged from 0.11 to 0.17 for all three compounds for the silt and the silt-clay mixture that was allowed to expand. In the case in which the swelling was constrained, the relative diffusivity was about 0.07. In addition, the relative diffusivity of 13C-labeled TCE through a water saturated silt-clay mixture that had contacted a field dense non-aqueous phase liquid (DNAPL) for 18 months was measured and equaled 0.001. These experimental results were compared with the estimates generated using common correlations, and it was found that, in all cases, the measured diffusion coefficients were significantly lower than the estimated. Thus, the discrepancy between mass accumulations observed in the field and the mass storage that can attributable to diffusion may be greater than previously believed.

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.

Lifetime of Major Histocompatibility Complex Class-I Membrane Clusters Is Controlled by the Actin Cytoskeleton

PubMed Central

Lavi, Yael; Gov, Nir; Edidin, Michael; Gheber, Levi A.

2012-01-01

Lateral heterogeneity of cell membranes has been demonstrated in numerous studies showing anomalous diffusion of membrane proteins; it has been explained by models and experiments suggesting dynamic barriers to free diffusion, that temporarily confine membrane proteins into microscopic patches. This picture, however, comes short of explaining a steady-state patchy distribution of proteins, in face of the transient opening of the barriers. In our previous work we directly imaged persistent clusters of MHC-I, a type I transmembrane protein, and proposed a model of a dynamic equilibrium between proteins newly delivered to the cell surface by vesicle traffic, temporary confinement by dynamic barriers to lateral diffusion, and dispersion of the clusters by diffusion over the dynamic barriers. Our model predicted that the clusters are dynamic, appearing when an exocytic vesicle fuses with the plasma membrane and dispersing with a typical lifetime that depends on lateral diffusion and the dynamics of barriers. In a subsequent work, we showed this to be the case. Here we test another prediction of the model, and show that changing the stability of actin barriers to lateral diffusion changes cluster lifetimes. We also develop a model for the distribution of cluster lifetimes, consistent with the function of barriers to lateral diffusion in maintaining MHC-I clusters. PMID:22500754

Microgravity nucleation and particle coagulation experiments support

NASA Technical Reports Server (NTRS)

Lilleleht, L. U.; Ferguson, F. T.

1987-01-01

A preliminary model for diffusion between concentric hemispheres was adapted to the cylindrical geometry of a microgravity nucleation apparatus, and extended to include the effects of radiation and conduction through the containment walls. Computer programs were developed to calculate first the temperature distribution and then the evolving concentration field using a finite difference formulation of the transient diffusion and radiation processes. The following estimations are made: (1) it takes approximately 35 minutes to establish a steady temperature field; (2) magnesium vapors released into the argon environment at the steady temperature distribution will reach a maximum supersaturation ratio of approximately 10,000 in the 20-second period at a distance of 15 cm from the source of vapors; and (3) approximately 750W electrical power will be required to maintain steady operating temperatures within the chamber.

Physical Vapor Transport of Mercurous Chloride Crystals: Design of a Microgravity Experiment

NASA Technical Reports Server (NTRS)

Duval, W, M. B.; Singh, N. B.; Glicksman, M. E.

1997-01-01

Flow field characteristics predicted from a computational model show that the dynamical state of the flow, for practical crystal growth conditions of mercurous chloride, can range from steady to unsteady. Evidence that the flow field can be strongly dominated by convection for ground-based conditions is provided by the prediction of asymmetric velocity profiles bv the model which show reasonable agreement with laser Doppler velocimetry experiments in both magnitude and planform. Unsteady flow is shown to be correlated with a degradation of crystal quality as quantified by light scattering pattern measurements, A microgravity experiment is designed to show that an experiment performed with parameters which yield an unsteady flow becomes steady (diffusive-advective) in a microgravity environment of 10(exp -3) g(sub 0) as predicted by the model, and hence yields crystals with optimal quality.

Factors and processes governing the C-14 content of carbonate in desert soils

NASA Technical Reports Server (NTRS)

Amundson, Ronald; Wang, Yang; Chadwick, Oliver; Trumbore, Susan; Mcfadden, Leslie; Mcdonald, Eric; Wells, Steven; Deniro, Michael

1994-01-01

A model is presented describing the factors and processes which determine the measured C-14 ages of soil calcium carbonate. Pedogenic carbonate forms in isotopic equilium with soil CO2. Carbon dioxide in soils is a mixture of CO2 derived from two biological sources: respiration by living plant roots and respiration of microorganisms decomposing soil humus. The relative proportion of these two CO2 sources can greatly affect the initial C-14 content of pedogenic carbonate: the greater the contribution of humus-derived CO2, the greater the initial C-14 age of the carbonate mineral. For any given mixture of CO2 sources, the steady-state (14)CO2 distribution vs. soil depth can be described by a production/diffusion model. As a soil ages, the C-14 age of soil humus increases, as does the steady-state C-14 age of soil CO2 and the initial C-14 age of any pedogenic carbonate which forms. The mean C-14 age of a complete pedogenic carbonate coating or nodule will underestimate the true age of the soil carbonate. This discrepancy increases the older a soil becomes. Partial removal of outer (and younger) carbonate coatings greatly improves the relationship between measured C-14 age and true age. Although the production/diffusion model qualitatively explains the C-14 age of pedogenic carbonate vs. soil depth in many soils, other factors, such as climate change, may contribute to the observed trends, particularily in soils older than the Holocene.

Kinetics of intercalation of fluorescent probes in magnesium–aluminium layered double hydroxide within a multiscale reaction–diffusion framework

PubMed Central

Saliba, Daniel

2016-01-01

We report the synthesis of magnesium–aluminium layered double hydroxide (LDH) using a reaction–diffusion framework (RDF) that exploits the multiscale coupling of molecular diffusion with chemical reactions, nucleation and growth of crystals. In an RDF, the hydroxide anions are allowed to diffuse into an organic gel matrix containing the salt mixture needed for the precipitation of the LDH. The chemical structure and composition of the synthesized magnesium–aluminium LDHs are determined using powder X-ray diffraction (PXRD), thermo-gravimetric analysis, differential scanning calorimetry, solid-state nuclear magnetic resonance (SSNMR), Fourier transform infrared and energy dispersive X-ray spectroscopy. This novel technique also allows the investigation of the mechanism of intercalation of some fluorescent probes, such as the neutral three-dimensional rhodamine B (RhB) and the negatively charged two-dimensional 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS), using in situ steady-state fluorescence spectroscopy. The incorporation of these organic dyes inside the interlayer region of the LDH is confirmed via fluorescence microscopy, solid-state lifetime, SSNMR and PXRD. The activation energies of intercalation of the corresponding molecules (RhB and HPTS) are computed and exhibit dependence on the geometry of the involved probe (two or three dimensions), the charge of the fluorescent molecule (anionic, cationic or neutral) and the cationic ratio of the corresponding LDH. This article is part of the themed issue ‘Multiscale modelling at the physics–chemistry–biology interface’. PMID:27698034

Kinetics of intercalation of fluorescent probes in magnesium-aluminium layered double hydroxide within a multiscale reaction-diffusion framework

NASA Astrophysics Data System (ADS)

Saliba, Daniel; Al-Ghoul, Mazen

2016-11-01

We report the synthesis of magnesium-aluminium layered double hydroxide (LDH) using a reaction-diffusion framework (RDF) that exploits the multiscale coupling of molecular diffusion with chemical reactions, nucleation and growth of crystals. In an RDF, the hydroxide anions are allowed to diffuse into an organic gel matrix containing the salt mixture needed for the precipitation of the LDH. The chemical structure and composition of the synthesized magnesium-aluminium LDHs are determined using powder X-ray diffraction (PXRD), thermo-gravimetric analysis, differential scanning calorimetry, solid-state nuclear magnetic resonance (SSNMR), Fourier transform infrared and energy dispersive X-ray spectroscopy. This novel technique also allows the investigation of the mechanism of intercalation of some fluorescent probes, such as the neutral three-dimensional rhodamine B (RhB) and the negatively charged two-dimensional 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS), using in situ steady-state fluorescence spectroscopy. The incorporation of these organic dyes inside the interlayer region of the LDH is confirmed via fluorescence microscopy, solid-state lifetime, SSNMR and PXRD. The activation energies of intercalation of the corresponding molecules (RhB and HPTS) are computed and exhibit dependence on the geometry of the involved probe (two or three dimensions), the charge of the fluorescent molecule (anionic, cationic or neutral) and the cationic ratio of the corresponding LDH. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.

Charge transfer fluorescence and 34 nm exciton diffusion length in polymers with electron acceptor end traps

DOE PAGES

Zaikowski, Lori; Mauro, Gina; Bird, Matthew; ...

2014-12-22

Photoexcitation of conjugated poly-2,7-(9,9-dihexylfluorene) polyfluorenes with naphthylimide (NI) and anthraquinone (AQ) electron-acceptor end traps produces excitons that form charge transfer states at the end traps. Intramolecular singlet exciton transport to end traps was examined by steady state fluorescence for polyfluorenes of 17 to 127 repeat units in chloroform, dimethylformamide (DMF), tetrahydrofuran (THF), and p-xylene. End traps capture excitons and form charge transfer (CT) states at all polymer lengths and in all solvents. The CT nature of the end-trapped states is confirmed by their fluorescence spectra, solvent and trap group dependence and DFT descriptions. Quantum yields of CT fluorescence are asmore » large as 46%. This strong CT emission is understood in terms of intensity borrowing. Energies of the CT states from onsets of the fluorescence spectra give the depths of the traps which vary with solvent polarity. For NI end traps the trap depths are 0.06 (p-xylene), 0.13 (THF) and 0.19 eV (CHCl 3). For AQ, CT fluorescence could be observed only in p-xylene where the trap depth is 0.27 eV. Quantum yields, emission energies, charge transfer energies, solvent reorganization and vibrational energies were calculated. Fluorescence measurements on chains >100 repeat units indicate that end traps capture ~50% of the excitons, and that the exciton diffusion length L D =34 nm, which is much larger than diffusion lengths reported in polymer films or than previously known for diffusion along isolated chains. As a result, the efficiency of exciton capture depends on chain length, but not on trap depth, solvent polarity or which trap group is present.« less

A diffusion based long-range and steady chemical gradient generator on a microfluidic device for studying bacterial chemotaxis

NASA Astrophysics Data System (ADS)

Murugesan, Nithya; Singha, Siddhartha; Panda, Tapobrata; Das, Sarit K.

2016-03-01

Studies on chemotaxis in microfluidics device have become a major area of research to generate physiologically similar environment in vitro. In this work, a novel micro-fluidic device has been developed to study chemo-taxis of cells in near physiological condition which can create controllable, steady and long-range chemical gradients using various chemo-effectors in a micro-channel. Hydrogels like agarose, collagen, etc, can be used in the device to maintain exclusive diffusive flux of various chemical species into the micro-channel under study. Variations of concentrations and flow rates of Texas Red dextran in the device revealed that an increase in the concentration of the dye in the feed from 6 to 18 μg ml-1, causes a steeper chemical gradient in the device, whereas the flow rate of the dye has practically no effect on the chemical gradient in the device. This observation confirms that a diffusion controlled chemical gradient is generated in the micro-channel. Chemo-taxis of E. coli cells were studied under the steady gradient of a chemo-attractant and a chemo-repellent separately in the same chemical gradient generator. For sorbitol and NiSO4·6H2O, the bacterial cells exhibit a steady distribution in the micro channel after 1 h and 30 min, respectively. From the distribution of bacterial population chemo-tactic strength of the chemo-effectors was estimated for E. coli. In a long microfluidic channel, migration behavior of bacterial cells under diffusion controlled chemical gradient showed chemotaxis, random movement, aggregation, and concentration dependent reverse chemotaxis.

On the geometry dependence of differential pathlength factor for near-infrared spectroscopy. I. Steady-state with homogeneous medium

PubMed Central

Piao, Daqing; Barbour, Randall L.; Graber, Harry L.; Lee, Daniel C.

2015-01-01

Abstract. This work analytically examines some dependences of the differential pathlength factor (DPF) for steady-state photon diffusion in a homogeneous medium on the shape, dimension, and absorption and reduced scattering coefficients of the medium. The medium geometries considered include a semi-infinite geometry, an infinite-length cylinder evaluated along the azimuthal direction, and a sphere. Steady-state photon fluence rate in the cylinder and sphere geometries is represented by a form involving the physical source, its image with respect to the associated extrapolated half-plane, and a radius-dependent term, leading to simplified formula for estimating the DPFs. With the source-detector distance and medium optical properties held fixed across all three geometries, and equal radii for the cylinder and sphere, the DPF is the greatest in the semi-infinite and the smallest in the sphere geometry. When compared to the results from finite-element method, the DPFs analytically estimated for 10 to 25 mm source–detector separations on a sphere of 50 mm radius with μa=0.01  mm−1 and μs′=1.0  mm−1 are on average less than 5% different. The approximation for sphere, generally valid for a diameter ≥20 times of the effective attenuation pathlength, may be useful for rapid estimation of DPFs in near-infrared spectroscopy of an infant head and for short source–detector separation. PMID:26465613

Gravimetric analysis and differential scanning calorimetric studies on glycerin-induced skin hydration.

PubMed

Lee, Ae-Ri Cho; Moon, Hee Kyung

2007-11-01

A thermal gravimetric analysis (TGA) and a differential scanning calorimetry (DSC) were carried out to characterize the water property and an alteration of lipid phase transition of stratum corneum (SC) by glycerin. In addition, the relationship between steady state skin permeation rate and skin hydration in various concentrations of glycerin was investigated. Water vapor absorption-desorption was studied in the hairless mouse stratum corneum. Dry SC samples were exposed to different conc. of glycerin (0-50%) followed by exposure to dry air and the change in weight property was monitored over time by use of TGA. In DSC study, significant decrease in DeltaH of the lipid transition in 10% glycerin and water treated sample: the heat of lipid transition of normal, water, 10% glycerin treated SC were 6.058, 4.412 and 4.316 mJ/mg, respectively. In 10% glycerin treated SCs, the Tc of water shifts around 129 degrees C, corresponding to the weakly bound secondary water. In 40% glycerin treated SC, the Tc of water shifts to 144 degrees C corresponding to strongly bound primary water. There was a good correlation between the hydration property of the skin and the steady state skin flux with the correlation coefficient (r2=0.94). As the hydration increased, the steady state flux increased. As glycerin concentration increased, hydration property decreased. High diffusivity induced by the hydration effect of glycerin and water could be the major contributing factor for the enhanced skin permeation of nicotinic acid (NA).

Combined magnetic and kinetic control of advanced tokamak steady state scenarios based on semi-empirical modelling

NASA Astrophysics Data System (ADS)

Moreau, D.; Artaud, J. F.; Ferron, J. R.; Holcomb, C. T.; Humphreys, D. A.; Liu, F.; Luce, T. C.; Park, J. M.; Prater, R.; Turco, F.; Walker, M. L.

2015-06-01

This paper shows that semi-empirical data-driven models based on a two-time-scale approximation for the magnetic and kinetic control of advanced tokamak (AT) scenarios can be advantageously identified from simulated rather than real data, and used for control design. The method is applied to the combined control of the safety factor profile, q(x), and normalized pressure parameter, βN, using DIII-D parameters and actuators (on-axis co-current neutral beam injection (NBI) power, off-axis co-current NBI power, electron cyclotron current drive power, and ohmic coil). The approximate plasma response model was identified from simulated open-loop data obtained using a rapidly converging plasma transport code, METIS, which includes an MHD equilibrium and current diffusion solver, and combines plasma transport nonlinearity with 0D scaling laws and 1.5D ordinary differential equations. The paper discusses the results of closed-loop METIS simulations, using the near-optimal ARTAEMIS control algorithm (Moreau D et al 2013 Nucl. Fusion 53 063020) for steady state AT operation. With feedforward plus feedback control, the steady state target q-profile and βN are satisfactorily tracked with a time scale of about 10 s, despite large disturbances applied to the feedforward powers and plasma parameters. The robustness of the control algorithm with respect to disturbances of the H&CD actuators and of plasma parameters such as the H-factor, plasma density and effective charge, is also shown.

Direct monitoring of wind-induced pressure-pumping on gas transport in soil

NASA Astrophysics Data System (ADS)

Laemmel, Thomas; Mohr, Manuel; Schindler, Dirk; Schack-Kirchner, Helmer; Maier, Martin

2017-04-01

Gas exchange between soil and atmosphere is important for the biogeochemistry of soils and is commonly assumed to be governed by molecular diffusion. Yet a few previous field studies identified other gas transport processes such as wind-induced pressure-pumping to enhance soil-atmosphere fluxes significantly. However, since these wind-induced non-diffusive gas transport processes in soil often occur intermittently, the quantification of their contribution to soil gas emissions is challenging. To quantify the effects of wind-induced pressure-pumping on soil gas transport, we developed a method for in situ monitoring of soil gas transport. The method includes the use of Helium (He) as a tracer gas which was continuously injected into the soil. The resulting He steady-state concentration profile was monitored. Gas transport parameters of the soil were inversely modelled. We used our method during a field campaign in a well-aerated forest soil over three months. During periods of low wind speed, soil gas transport was modelled assuming diffusion as transport process. During periods of high wind speed, the previously steady diffusive He concentration profile showed temporary concentration decreases in the topsoil, indicating an increase of the effective gas transport rate in the topsoil up to 30%. The enhancement of effective topsoil soil gas diffusivity resulted from wind-induced air pressure fluctuations which are referred to as pressure-pumping. These air pressure fluctuations had frequencies between 0.1 and 0.01 Hz and amplitudes up to 10 Pa and occurred at above-canopy wind speeds greater than 5 m s-1. We could show the importance of the enhancement of the gas transport rate in relation with the wind intensity and corresponding air pressure fluctuations characteristics. We directly detected and quantified the pressure-pumping effect on gas transport in soil in a field study for the first time, and could thus validate and underpin the importance of this non-diffusive gas transport process. Our method can also be used to study other non-diffusive gas transport processes occurring in soil and snow, and their possible feedbacks or interactions with biogeochemical processes.

Fast non-overlapping Schwarz domain decomposition methods for solving the neutron diffusion equation

NASA Astrophysics Data System (ADS)

Jamelot, Erell; Ciarlet, Patrick

2013-05-01

Studying numerically the steady state of a nuclear core reactor is expensive, in terms of memory storage and computational time. In order to address both requirements, one can use a domain decomposition method, implemented on a parallel computer. We present here such a method for the mixed neutron diffusion equations, discretized with Raviart-Thomas-Nédélec finite elements. This method is based on the Schwarz iterative algorithm with Robin interface conditions to handle communications. We analyse this method from the continuous point of view to the discrete point of view, and we give some numerical results in a realistic highly heterogeneous 3D configuration. Computations are carried out with the MINOS solver of the APOLLO3® neutronics code. APOLLO3 is a registered trademark in France.

Evaluation of Primary Dendrite Arm Spacings from Aluminum-7wt% Silicon alloys Directionally Solidified aboard the International Space Station - Comparison with Theory

NASA Technical Reports Server (NTRS)

Angart, Samuel; Lauer, Mark; Poirier, David; Tewari, Surendra; Rajamure, Ravi; Grugel, Richard

2015-01-01

Aluminum – 7wt% silicon alloys were directionally solidified in the microgravity environment aboard the International Space Station as part of the “MIcrostructure Formation in CASTing of Technical Alloys under Diffusive and Magnetically Controlled Convective Conditions” (MICAST) European led program. Cross-sections of the sample during periods of steady-state growth were metallographically prepared from which the primary dendrite arm spacing (lambda 1) was measured. These spacings were found to be in reasonable agreement with the Hunt-Lu model which assumes a diffusion-controlled, convectionless, environment during controlled solidification. Deviation from the model was found and is attributed to gravity-independent thermocapillary convection where, over short distances, the liquid appears to have separated from the crucible wall.

Non-focusing optics spectrophotometer, and methods of use

DOEpatents

Kramer, David M.; Sacksteder, Colette A.

2004-11-02

In one aspect, the present invention provides kinetic spectrophotometers that each comprise: (a) a light source; and (b) a compound parabolic concentrator disposed to receive light from the light source and configured to (1) intensify and diffuse the light received from the light source, and (2) direct the intensified and diffused light onto a sample. In other aspects, the present invention provides methods for measuring a photosynthetic parameter, the methods comprising the steps of: (a) illuminating a plant leaf until steady-state photosynthesis is achieved; (b) subjecting the illuminated plant leaf to a period of darkness; (c) using a kinetic spectrophotometer of the invention to collect spectral data from the plant leaf treated in accordance with steps (a) and (b); and (d) determining a value for a photosynthetic parameter from the spectral data.

Simple diffusion can support the pitchfork, the flip bifurcations, and the chaos

NASA Astrophysics Data System (ADS)

Meng, Lili; Li, Xinfu; Zhang, Guang

2017-12-01

In this paper, a discrete rational fration population model with the Dirichlet boundary conditions will be considered. According to the discrete maximum principle and the sub- and supper-solution method, the necessary and sufficient conditions of uniqueness and existence of positive steady state solutions will be obtained. In addition, the dynamical behavior of a special two patch metapopulation model is investigated by using the bifurcation method, the center manifold theory, the bifurcation diagrams and the largest Lyapunov exponent. The results show that there exist the pitchfork, the flip bifurcations, and the chaos. Clearly, these phenomena are caused by the simple diffusion. The theoretical analysis of chaos is very imortant, unfortunately, there is not any results in this hand. However, some open problems are given.

Efficient particle acceleration in shocks

NASA Astrophysics Data System (ADS)

Heavens, A. F.

1984-10-01

A self-consistent non-linear theory of acceleration of particles by shock waves is developed, using an extension of the two-fluid hydrodynamical model by Drury and Völk. The transport of the accelerated particles is governed by a diffusion coefficient which is initially assumed to be independent of particle momentum, to obtain exact solutions for the spectrum. It is found that steady-state shock structures with high acceleration efficiency are only possible for shocks with Mach numbers less than about 12. A more realistic diffusion coefficient is then considered, and this maximum Mach number is reduced to about 6. The efficiency of the acceleration process determines the relative importance of the non-relativistic and relativistic particles in the distribution of accelerated particles, and this determines the effective specific heat ratio.

Edge-Based Image Compression with Homogeneous Diffusion

NASA Astrophysics Data System (ADS)

Mainberger, Markus; Weickert, Joachim

It is well-known that edges contain semantically important image information. In this paper we present a lossy compression method for cartoon-like images that exploits information at image edges. These edges are extracted with the Marr-Hildreth operator followed by hysteresis thresholding. Their locations are stored in a lossless way using JBIG. Moreover, we encode the grey or colour values at both sides of each edge by applying quantisation, subsampling and PAQ coding. In the decoding step, information outside these encoded data is recovered by solving the Laplace equation, i.e. we inpaint with the steady state of a homogeneous diffusion process. Our experiments show that the suggested method outperforms the widely-used JPEG standard and can even beat the advanced JPEG2000 standard for cartoon-like images.

Comparison of Numerical Approaches to a Steady-State Landscape Equation

NASA Astrophysics Data System (ADS)

Bachman, S.; Peckham, S.

2008-12-01

A mathematical model of an idealized fluvial landscape has been developed, in which a land surface will evolve to preserve dendritic channel networks as the surface is lowered. The physical basis for this model stems from the equations for conservation of mass for water and sediment. These equations relate the divergence of the 2D vector fields showing the unit-width discharge of water and sediment to the excess rainrate and tectonic uplift on the land surface. The 2D flow direction is taken to be opposite to the water- surface gradient vector. These notions are combined with a generalized Manning-type flow resistance formula and a generalized sediment transport law to give a closed mathematical system that can, in principle, be solved for all variables of interest: discharge of water and sediment, land surface height, vertically- averaged flow velocity, water depth, and shear stress. The hydraulic geometry equations (Leopold et. al, 1964, 1995) are used to incorporate width, depth, velocity, and slope of river channels as powers of the mean-annual river discharge. Combined, they give the unit- width discharge of the stream as a power, γ, of the water surface slope. The simplified steady-state model takes into account three components among those listed above: conservation of mass for water, flow opposite the gradient, and a slope-discharge exponent γ = -1 to reflect mature drainage networks. The mathematical representation of this model appears as a second-order hyperbolic partial differential equation (PDE) where the diffusivity is inversely proportional to the square of the local surface slope. The highly nonlinear nature of this PDE has made it very difficult to solve both analytically and numerically. We present simplistic analytic solutions to this equation which are used to test the validity of the numerical algorithms. We also present three such numerical approaches which have been used in solving the differential equation. The first is based on a nonlinear diffusion filtering technique (Welk et. al, 2007) that has been applied successfully in the context of image processing. The second uses a Ritz finite element approach to the Euler-Lagrange formulation of the PDE in which an eighth degree polynomial is solved whose coefficients are locally dependent on slope and elevation. Lastly, we show a variant to the diffusion filtering approach in which a single-stage Runge-Kutta method is used to iterate a time-derivative to steady- state. The relative merits and drawbacks of these approaches are discussed, as well as stability and consistency requirements.

Simulations of normal and inverse laminar diffusion flames under oxygen enhancement and gravity variation

NASA Astrophysics Data System (ADS)

Bhatia, P.; Katta, V. R.; Krishnan, S. S.; Zheng, Y.; Sunderland, P. B.; Gore, J. P.

2012-10-01

Steady-state global chemistry calculations for 20 different flames were carried out using an axisymmetric Computational Fluid Dynamics (CFD) code. Computational results for 16 flames were compared with flame images obtained at the NASA Glenn Research Center. The experimental flame data for these 16 flames were taken from Sunderland et al. [4] which included normal and inverse diffusion flames of ethane with varying oxidiser compositions (21, 30, 50, 100% O2 mole fraction in N2) stabilised on a 5.5 mm diameter burner. The test conditions of this reference resulted in highly convective inverse diffusion flames (Froude numbers of the order of 10) and buoyant normal diffusion flames (Froude numbers ∼0.1). Additionally, six flames were simulated to study the effect of oxygen enhancement on normal diffusion flames. The enhancement in oxygen resulted in increased flame temperatures and the presence of gravity led to increased gas velocities. The effect of gravity-variation and oxygen enhancement on flame shape and size of normal diffusion flames was far more pronounced than for inverse diffusion flames. For normal-diffusion flames, their flame-lengths decreased (1 to 2 times) and flames-widths increased (2 to 3 times) when going from earth-gravity to microgravity, and flame height decreased by five times when going from air to a pure oxygen environment.

Global diffusive fluxes of methane in marine sediments

NASA Astrophysics Data System (ADS)

Egger, Matthias; Riedinger, Natascha; Mogollón, José M.; Jørgensen, Bo Barker

2018-06-01

Anaerobic oxidation of methane provides a globally important, yet poorly constrained barrier for the vast amounts of methane produced in the subseafloor. Here we provide a global map and budget of the methane flux and degradation in diffusion-controlled marine sediments in relation to the depth of the methane oxidation barrier. Our new budget suggests that 45-61 Tg of methane are oxidized with sulfate annually, with approximately 80% of this oxidation occurring in continental shelf sediments (<200 m water depth). Using anaerobic oxidation as a nearly quantitative sink for methane in steady-state diffusive sediments, we calculate that 3-4% of the global organic carbon flux to the seafloor is converted to methane. We further report a global imbalance of diffusive methane and sulfate fluxes into the sulfate-methane transition with no clear trend with respect to the corresponding depth of the methane oxidation barrier. The observed global mean net flux ratio between sulfate and methane of 1.4:1 indicates that, on average, the methane flux to the sulfate-methane transition accounts for only 70% of the sulfate consumption in the sulfate-methane transition zone of marine sediments.

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

A finite elements method to solve the Bloch-Torrey equation applied to diffusion magnetic resonance imaging

NASA Astrophysics Data System (ADS)

Nguyen, Dang Van; Li, Jing-Rebecca; Grebenkov, Denis; Le Bihan, Denis

2014-04-01

The complex transverse water proton magnetization subject to diffusion-encoding magnetic field gradient pulses in a heterogeneous medium can be modeled by the multiple compartment Bloch-Torrey partial differential equation (PDE). In addition, steady-state Laplace PDEs can be formulated to produce the homogenized diffusion tensor that describes the diffusion characteristics of the medium in the long time limit. In spatial domains that model biological tissues at the cellular level, these two types of PDEs have to be completed with permeability conditions on the cellular interfaces. To solve these PDEs, we implemented a finite elements method that allows jumps in the solution at the cell interfaces by using double nodes. Using a transformation of the Bloch-Torrey PDE we reduced oscillations in the searched-for solution and simplified the implementation of the boundary conditions. The spatial discretization was then coupled to the adaptive explicit Runge-Kutta-Chebyshev time-stepping method. Our proposed method is second order accurate in space and second order accurate in time. We implemented this method on the FEniCS C++ platform and show time and spatial convergence results. Finally, this method is applied to study some relevant questions in diffusion MRI.

Diffuse Cosmic Rays Shining in the Galactic Center: A Novel Interpretation of H.E.S.S. and Fermi-LAT γ-Ray Data.

PubMed

Gaggero, D; Grasso, D; Marinelli, A; Taoso, M; Urbano, A

2017-07-21

We present a novel interpretation of the γ-ray diffuse emission measured by Fermi-LAT and H.E.S.S. in the Galactic center (GC) region and the Galactic ridge (GR). In the first part we perform a data-driven analysis based on PASS8 Fermi-LAT data: We extend down to a few GeV the spectra measured by H.E.S.S. and infer the primary cosmic-ray (CR) radial distribution between 0.1 and 3 TeV. In the second part we adopt a CR transport model based on a position-dependent diffusion coefficient. Such behavior reproduces the radial dependence of the CR spectral index recently inferred from the Fermi-LAT observations. We find that the bulk of the GR emission can be naturally explained by the interaction of the diffuse steady-state Galactic CR sea with the gas present in the central molecular zone. Although we confirm the presence of a residual radial-dependent emission associated with a central source, the relevance of the large-scale diffuse component prevents to claim a solid evidence of GC pevatrons.

Numerical Modeling of Solidification in Space With MEPHISTO-4. Part 2

NASA Technical Reports Server (NTRS)

Simpson, James E.; Yoa, Minwu; deGroh, Henry C., III; Garimella, V. Suresh

1998-01-01

A pre-flight analysis of the directional solidification of BiSn with MEPHISTO-4 is presented. Simplified Bridgman growth under microgravity conditions is simulated using a two dimensional finite element model. This numerical model is a single domain, pseudo-steady state model, and includes the effects of both thermal and solutal convection. The results show that for all orientations of the applied steady state gravity vector, of magnitude 1 micro-g, the directional solidification process remains diffusion controlled. The maximum convective velocity was found to be 4.424 x 10(exp -5) cm/s for the horizontal Bridgman growth configuration. This value is an order of magnitude lower than the growth velocity. The maximum and minimum values or solute concentration in the liquid at the crystal-melt interface were 13.867 at.% and 13.722 at.%, respectively. This gives a radial segregation value of xi = 1.046% at the interface. A secondary objective of this work was to compare the results obtained to those that consider thermal convection only (no solutal convection). It was found that the convective flow patterns in simulations which included solutal convection were significantly different from those which ignored solutal convection. The level of radial segregation predicted by the current simulations is an order of magnitude lower than that found in simulations which ignore solutal convection. The final aim was to investigate the effect of g-jitter on the crystal growth process. A simulation was performed to calculate the system response to a 1 second, 100 micro-g gravity impulse acting normal to the direction of growth. This pulse is consistent with that induced by Orbiter thruster firings. The results obtained indicate that such a gravity pulse causes an increase in the level of radial solute segregation at the interface from the steady state values. The maximum value of solute concentration in the liquid was found to be 13.888 at.%, the minimum value calculated was 13.706 at.%, yielding a radial segregation value of xi = 1.31% at the interface. These values occurred 126 seconds after the pulse terminated. Thus it is anticipated that the process will remain diffusion controlled even when subjected to such g-jitter.

Mimicking Nonequilibrium Steady States with Time-Periodic Driving

DTIC Science & Technology

2016-08-29

nonequilibrium steady states, and vice versa, within the theoretical framework of discrete-state stochastic thermodynamics . Nonequilibrium steady states...equilibrium [2], spontaneous relaxation towards equilibrium [3], nonequilibrium steady states generated by fixed thermodynamic forces [4], and stochastic pumps...paradigm, a system driven by fixed thermodynamic forces—such as temperature gradients or chemical potential differences— reaches a steady state in

Role of Dynamic Nucleation at Moving Boundaries in Phase and Microstructure Selection

NASA Technical Reports Server (NTRS)

Karma, Alain; Trivedi, Rohit

1999-01-01

Solidification microstructures that form under steady-state growth conditions (cells, dendrites, regular eutectics, etc.) are reasonably well understood in comparison to other, more complex microstructures, which form under intrinsically non-steady-state growth conditions due to the competition between the nucleation and growth of several phases. Some important practical examples in this latter class include microstructures forming in peritectic systems in highly undercooled droplets, and in strip cast stainless steels. Prediction of phase and microstructure selection in these systems has been traditionally based on (1) heterogeneous nucleation on a static interface, and (2) comparing the relative growth rate of different phase/microstructures under steady-state growth conditions. The formation of new phases, however, occurs via nucleation on, or ahead of, a moving boundary. In addition, the actual selection process is controlled by a complex interaction between the nucleation process and the growth competition between the nuclei and the pre-existing phase under non-steady-state conditions. As a result, it is often difficult to predict which microstructure will form and which phases will be selected under prescribed processing conditions. This research addresses this critical role of nucleation at moving boundaries in the selection of phases and solidification microstructures through quantitative experiments and numerical modeling in peritectic systems. In order to create a well characterized system in which to study this problem, we focus on the directional solidification of hypo- and hyper-peritectic alloys in the two-phase region, imposing a large enough ratio of temperature gradient/growth rate (G/V(sub p)) to suppress the morphological instability of both the parent (alpha) and peritectic (Beta) phases, i.e. each phase alone would grow as a planar front. Our combined experimental and theoretical results show that, already in this simplified case, the growth competition of these two phases leads to a rich variety of microstructures that depend sensitively upon the relative importance of nucleation, diffusion, and convection.

Dynamic Model and Experimental Validation of a PEM Fuel Cell System

NASA Astrophysics Data System (ADS)

Nassif, Younane; Godoy, Emmanuel; Bethoux, Olivier; Roche, Ivan

Fuel cells are expected to become a challenging technology in terms of efficiency, and fitting the emission reduction schedules [Lemons, J. Power Sources, 29:251, 1] for the automotive application. Their fundamental component consists of two electrodes separated by a membrane. Fuel cells convert chemical energy into electrical energy while producing water and heat. To not disturb the transportation of the reactant gas, a proper membrane hydration needs to be maintained. Two different conditions can occur facing an inadequate water balance which decreases the performance of the stack. An insufficient removal of the accumulated water causes water flooding, decreasing reactant transport rate. Similarly, excessive water removal dries the membrane. To monitor the amount of water inside the cell, dynamic model based on the mass conservation principles and thermodynamic properties is developed in the form of nonlinear state space representation. Fick's law and Maxwell-Stefan model are used to describe multicomponent diffusion. Darcy's law is used to define the porous medium permeability. To demonstrate the accuracy of the proposed model, obtained results are compared with measured data at steady states operation mode. Investigation of the steady-state behavior is discussed in this paper.

Tunable single and double emission semiconductor nanocrystal quantum dots: a multianalyte sensor

NASA Astrophysics Data System (ADS)

Ratnesh, Ratneshwar Kumar; Singh Mehata, Mohan

2018-07-01

We have prepared stable colloidal CdTe and CdTe/ZnS core–shell quantum dots (QDs) using hot injection chemical route. The developed CdTe QDs emit tunable single and dual photoluminescence (PL) bands, originating from the direct band edge and the surface state of QDs, as evident by the steady-state and time-resolved spectroscopy. The developed CdTe and CdTe/ZnS QDs act as optical sensors for the detection of metal ions (e.g., Fe2+ and Pb2+) in the feed water. The PL quenching in the presence of analytes has been examined by both the steady-state and time-resolved PL spectroscopy. The linear Stern–Volmer (S–V) plots obtained for PL intensity and lifetime as a function of metal ion concentration demonstrates the diffusion-mediated collisional quenching as a dominant mechanism together with the possibility of fluorescence resonance energy transfer. Thus, the prepared core and core–shell QDs which cover a broad spectral range of white light with high quantum yield (QY) are highly sensitive to the detection of metal ions in feed water and are also important for biological applications (Ratnesh and Mehata 2017 Spectrochim. Acta A: Mol. Biomol. Spectro. 179 201–10).

Effect of Oxygen Enrichment in Propane Laminar Diffusion Flames under Microgravity and Earth Gravity Conditions

NASA Astrophysics Data System (ADS)

Bhatia, Pramod; Singh, Ravinder

2017-06-01

Diffusion flames are the most common type of flame which we see in our daily life such as candle flame and match-stick flame. Also, they are the most used flames in practical combustion system such as industrial burner (coal fired, gas fired or oil fired), diesel engines, gas turbines, and solid fuel rockets. In the present study, steady-state global chemistry calculations for 24 different flames were performed using an axisymmetric computational fluid dynamics code (UNICORN). Computation involved simulations of inverse and normal diffusion flames of propane in earth and microgravity condition with varying oxidizer compositions (21, 30, 50, 100 % O2, by mole, in N2). 2 cases were compared with the experimental result for validating the computational model. These flames were stabilized on a 5.5 mm diameter burner with 10 mm of burner length. The effect of oxygen enrichment and variation in gravity (earth gravity and microgravity) on shape and size of diffusion flames, flame temperature, flame velocity have been studied from the computational result obtained. Oxygen enrichment resulted in significant increase in flame temperature for both types of diffusion flames. Also, oxygen enrichment and gravity variation have significant effect on the flame configuration of normal diffusion flames in comparison with inverse diffusion flames. Microgravity normal diffusion flames are spherical in shape and much wider in comparison to earth gravity normal diffusion flames. In inverse diffusion flames, microgravity flames were wider than earth gravity flames. However, microgravity inverse flames were not spherical in shape.

Dynamic Weakening (Extinction) of Simple Hydrocarbon-air Counterflow Diffusion Flames by Oscillatory Inflows

NASA Technical Reports Server (NTRS)

Pellett, G.; Kabaria, A.; Panigrahi, B.; Sammons, K.; Convery, J.; Wilson, L.

2005-01-01

This study of laminar non-premixed HC-air flames used an Oscillatory-input Opposed Jet Burner (OOJB) system developed from a previously well-characterized 7.2-mm Pyrex-nozzle OJB system. Over 600 dynamic Flame Strength (FS) measurements were obtained on unanchored (free-floating) laminar Counterflow Diffusion Flames (CFDF's). Flames were stabilized using plug inflows having steady-plus-sinusoidal axial velocities of varied magnitude, frequency, f, up to 1600 Hz, and phase angle from 0 (most data) to 360 degrees. Dynamic FS is defined as the maximum average air input velocity (U(sub air), at nozzle exit) a CFDF can sustain before strain-induced extinction occurs due to prescribed oscillatory peak-to-peak velocity inputs superimposed on steady inputs. Initially, dynamic flame extinction data were obtained at low f, and were supported by 25-120 Hz Hot-Wire cold-flow velocity data at nozzle exits. Later, expanded extinction data were supported by 4-1600 Hz Probe Microphone (PM) pk/pk P data at nozzle exits. The PM data were first obtained without flows, and later with cold stagnating flows, which better represent speaker-diaphragm dynamics during runs. The PM approach enabled characterizations of Dynamic Flame Weakening (DFW) of CFDF's from 8 to 1600 Hz. DFW was defined as % decrease in FS per Pascal of pk/pk P oscillation, namely, DFW = - 100 d(U(sub air) / U(sub air),0Hz) / d(pkpk P). The linear normalization with respect to acoustic pressure magnitude (and steady state (SS) FS) led to a DFW unaffected by strong internal resonances. For the C2H4/N2-air system, from 8 to 20 Hz, DFW is constant at 8.52 plus or minus 0.20 (% weakening)/Pa. This reflects a quasi-steady flame response to an acoustically induced dU(sub air)/dP. Also, it is surprisingly independent of C2H4/N2 mole fraction due to normalization by SS FS. From 20 to approximately 150 Hz, the C2H4/N2 air-flames weakened progressively less, with an inflection at approximately 70 Hz, and became asymptotically insensitive (DFW approximately 0) at approximately 300 Hz, which continued to 1600 Hz. The DFW of CH4-air flames followed a similar pattern, but showed much greater weakening than C2H4/N2-air flames; i.e., the quasi-steady DFW (8 to approximately 15 Hz) was 44.3 %/Pa, or approximately 5x larger, even though the 0 Hz (SS) FS was only 3.0 x smaller. The quasi-steady DFW's of C3H8-air and C2H6-air were intermediate at 34.8 and 20.9 %Pa, respectively. The DFW profiles of all four fuels, at various frequencies, correlated well but non-linearly with respective SS FS's. Notably, the DFW profile for C3H8 air fell more rapidly in the range greater than 15 to 60 Hz, compared with the 1- and 2-carbon fuels. This may indicate a shift in chemical kinetics, and/or O2 transport to a flame that moved closer to the fuel-side. In conclusion, Dynamic Flame Weakening limits appear significant and unique for each fuel, and correlate closely, but non-linearly, with Steady-State Flame Strengths at any given frequency. For reasons unknown, the dynamic flames didn't weaken more at intermediate frequencies (e.g., at 20-50 Hz) than they did at low frequencies (less than 15 Hz), where quasi-steady weakening appears to dominate. Quasi-steady flame weakening ostensibly represents a transient input strain rate maximum that just exceeds the steady-state strain-rate-limited extinction limit for a few cycles. Clearly, further detailed mechanistic understanding is needed in the fall-off region.

New insights into the organization of plasma membrane and its role in signal transduction.

PubMed

Suzuki, Kenichi G N

2015-01-01

Plasma membranes have heterogeneous structures for efficient signal transduction, required to perform cell functions. Recent evidence indicates that the heterogeneous structures are produced by (1) compartmentalization by actin-based membrane skeleton, (2) raft domains, (3) receptor-receptor interactions, and (4) the binding of receptors to cytoskeletal proteins. This chapter provides an overview of recent studies on diffusion, clustering, raft association, actin binding, and signal transduction of membrane receptors, especially glycosylphosphatidylinositol (GPI)-anchored receptors. Studies on diffusion of GPI-anchored receptors suggest that rafts may be small and/or short-lived in plasma membranes. In steady state conditions, GPI-anchored receptors form transient homodimers, which may represent the "standby state" for the stable homodimers and oligomers upon ligation. Furthermore, It is proposed that upon ligation, the binding of GPI-anchored receptor clusters to cytoskeletal actin filaments produces a platform for downstream signaling, and that the pulse-like signaling easily maintains the stability of the overall signaling activity. Copyright © 2015 Elsevier Inc. All rights reserved.

Diffusion of oxygen in cork.

PubMed

Lequin, Sonia; Chassagne, David; Karbowiak, Thomas; Simon, Jean-Marc; Paulin, Christian; Bellat, Jean-Pierre

2012-04-04

This work reports measurements of effective oxygen diffusion coefficient in raw cork. Kinetics of oxygen transfer through cork is studied at 298 K thanks to a homemade manometric device composed of two gas compartments separated by a cork wafer sample. The first compartment contains oxygen, whereas the second one is kept under dynamic vacuum. The pressure decrease in the first compartment is recorded as a function of time. The effective diffusion coefficient D(eff) is obtained by applying Fick's law to transient state using a numerical method based on finite differences. An analytical model derived from Fick's law applied to steady state is also proposed. Results given by these two methods are in close agreement with each other. The harmonic average of the effective diffusion coefficients obtained from the distribution of 15 cork wafers of 3 mm thickness is 1.1 × 10(-9) m(2) s(-1) with a large distribution over four decades. The statistical analysis of the Gaussian distribution obtained on a 3 mm cork wafer is extrapolated to a 48 mm cork wafer, which length corresponds to a full cork stopper. In this case, the probability density distribution gives a mean value of D(eff) equal to 1.6 × 10(-9) m(2) s(-1). This result shows that it is possible to obtain the effective diffusion coefficient of oxygen through cork from short time (few days) measurements performed on a thin cork wafer, whereas months are required to obtain the diffusion coefficient for a full cork stopper. Permeability and oxygen transfer rate are also calculated for comparison with data from other studies.

Dynamics of gas bubble growth in a supersaturated solution with Sievert's solubility law.

PubMed

Gor, G Yu; Kuchma, A E

2009-07-21

This paper presents a theoretical description of diffusion growth of a gas bubble after its nucleation in supersaturated liquid solution. We study systems where gas molecules completely dissociate in the solvent into two parts, thus making Sievert's solubility law valid. We show that the difference between Henry's and Sievert's laws for chemical equilibrium conditions causes the difference in bubble growth dynamics. Assuming that diffusion flux is steady we obtain a differential equation on bubble radius. Bubble dynamics equation is solved analytically for the case of homogeneous nucleation of a bubble, which takes place at a significant pressure drop. We also obtain conditions of diffusion flux steadiness. The fulfillment of these conditions is studied for the case of nucleation of water vapor bubbles in magmatic melts.

Mimicking Nonequilibrium Steady States with Time-Periodic Driving (Open Source)

DTIC Science & Technology

2016-05-18

nonequilibrium steady states, and vice versa, within the theoretical framework of discrete-state stochastic thermodynamics . Nonequilibrium steady states...equilibrium [2], spontaneous relaxation towards equilibrium [3], nonequilibrium steady states generated by fixed thermodynamic forces [4], and stochastic pumps...paradigm, a system driven by fixed thermodynamic forces—such as temperature gradients or chemical potential differences— reaches a steady state in

Multiple Scattering in Clouds: Insights from Three-Dimensional Diffusion/P{sub 1} Theory

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

Davis, Anthony B.; Marshak, Alexander

2001-03-15

In the atmosphere, multiple scattering matters nowhere more than in clouds, and being a product of its turbulence, clouds are highly variable environments. This challenges three-dimensional (3D) radiative transfer theory in a way that easily swamps any available computational resources. Fortunately, the far simpler diffusion (or P{sub 1}) theory becomes more accurate as the scattering intensifies, and allows for some analytical progress as well as computational efficiency. After surveying current approaches to 3D solar cloud-radiation problems from the diffusion standpoint, a general 3D result in steady-state diffusive transport is derived relating the variability-induced change in domain-average flux (i.e., diffuse transmittance)more » to the one-point covariance of internal fluctuations in particle density and in radiative flux. These flux variations follow specific spatial patterns in deliberately hydrodynamical language: radiative channeling. The P{sub 1} theory proves even more powerful when the photon diffusion process unfolds in time as well as space. For slab geometry, characteristic times and lengths that describe normal and transverse transport phenomena are derived. This phenomenology is used to (a) explain persistent features in satellite images of dense stratocumulus as radiative channeling, (b) set limits on current cloud remote-sensing techniques, and (c) propose new ones both active and passive.« less

Effective diffusion coefficients of DNAPL waste components in saturated low permeability soil materials.

PubMed

Ayral-Cinar, Derya; Demond, Avery H

2017-12-01

Diffusion is regarded as the dominant transport mechanism into and out of low permeable subsurface lenses and layers in the subsurface. But, some reports of mass storage in such zones are higher than what might be attributable to diffusion, based on estimated diffusion coefficients. Despite the importance of diffusion to efforts to estimate the quantity of residual contamination in the subsurface, relatively few studies present measured diffusion coefficients of organic solutes in saturated low permeability soils. This study reports the diffusion coefficients of a trichloroethylene (TCE), and an anionic surfactant, Aerosol OT (AOT), in water-saturated silt and a silt-montmorillonite (25:75) mixture, obtained using steady-state experiments. The relative diffusivity ranged from 0.11 to 0.17 for all three compounds for the silt and the silt-clay mixture that was allowed to expand. In the case in which the swelling was constrained, the relative diffusivity was about 0.07. In addition, the relative diffusivity of 13 C-labeled TCE through a water saturated silt-clay mixture that had contacted a field dense non-aqueous phase liquid (DNAPL) for 18months was measured and equaled 0.001. These experimental results were compared with the estimates generated using common correlations, and it was found that, in all cases, the measured diffusion coefficients were significantly lower than the estimated. Thus, the discrepancy between mass accumulations observed in the field and the mass storage that can attributable to diffusion may be greater than previously believed. Copyright © 2017. Published by Elsevier B.V.

A simulation of the atmospheric cloud physics laboratory to aid in its design and the design of the experiments within the laboratory

NASA Technical Reports Server (NTRS)

Winchester, L. W., Jr.

1980-01-01

Using the finite difference method with overrelaxation, numerical solutions of the steady-state vorticity transport equation were obtained for a continuous flow diffusion chamber of the Hudson-Squires type. The calculation neglected the effects due to temperature, gravity, and saturation. The size and shape of the manifold used to inject the aerosol laden flow were varied to obtain a design which would improve the performance of the chamber from strictly low Reynolds number (less than 20) fluid dynamical considerations.

Cold Working and Annealing Effects on the Creep and Rupture Resistance of the Oxide-Dispersion-Strengthened Alloy MA754

DTIC Science & Technology

1983-11-01

boundary sliding. As a result, the steady state creep rate will have the form: Es EDIS ÷ GBS where I DIS = strain rate from dislocation motion and 6GBS...prevent diffusion bonding between the specimen heads and grips. The test apparatus used to perform the tensile tests was an Instron- Satec furnace...testing was done utilizing leveled creep racks (12,000 lb. capacity) modified to produce constant load or constant stress. The furnaces were of the Satec

Communication: Dominance of extreme statistics in a prototype many-body Brownian ratchet.

PubMed

Hohlfeld, Evan; Geissler, Phillip L

2014-10-28

Many forms of cell motility rely on Brownian ratchet mechanisms that involve multiple stochastic processes. We present a computational and theoretical study of the nonequilibrium statistical dynamics of such a many-body ratchet, in the specific form of a growing polymer gel that pushes a diffusing obstacle. We find that oft-neglected correlations among constituent filaments impact steady-state kinetics and significantly deplete the gel's density within molecular distances of its leading edge. These behaviors are captured quantitatively by a self-consistent theory for extreme fluctuations in filaments' spatial distribution.

THE INTRARENAL DISTRIBUTION OF TRITIATED PARA-AMINOHIPPURIC ACID DETERMINED BY A MODIFIED TECHNIQUE OF SECTION FREEZE-DRY RADIOAUTOGRAPHY

PubMed Central

Bordier, Betrand; Ornstein, Leonard; Wedeen, Richard P.

1970-01-01

Section freeze-dry radioautography has been used to examine the intrarenal distribution of a water-soluble organic acid (para-aminohippuric acid (PAH-3H)) under constant-infusion, steady-state conditions in mouse and rat kidney in vivo. The technique described here has the following advantages: (a) Sectioning and freeze-drying are accomplished in a closed cryostat at temperatures below -40°C; (b) Handling of the section is facilitated by mounting of the section-to-be on adhesive-coated Saran Wrap prior to cutting; (c) Unembedded freeze-dried sections are attached to photographic film at ambient temperature in the dark room; (d) Fixation follows completion of radioautographic exposure and precedes photographic development; (e) Permanent close contact is maintained between tissue and film. Morphologic preservation compared favorably with that obtained by optimal fixation techniques, which, however, permit diffusion. Cellular accumulation of PAH-3H during secretion was demonstrated in the proximal tubule under steady-state conditions in vivo. The cellular concentration of PAH-3H was uniform throughout the length of the proximal tubule in mouse and rat kidney. PMID:4349130

Thin film modeling of crystal dissolution and growth in confinement.

PubMed

Gagliardi, Luca; Pierre-Louis, Olivier

2018-01-01

We present a continuum model describing dissolution and growth of a crystal contact confined against a substrate. Diffusion and hydrodynamics in the liquid film separating the crystal and the substrate are modeled within the lubrication approximation. The model also accounts for the disjoining pressure and surface tension. Within this framework, we obtain evolution equations which govern the nonequilibrium dynamics of the crystal interface. Based on this model, we explore the problem of dissolution under an external load, known as pressure solution. We find that in steady state, diverging (power-law) crystal-surface repulsions lead to flat contacts with a monotonic increase of the dissolution rate as a function of the load. Forces induced by viscous dissipation then surpass those due to disjoining pressure at large enough loads. In contrast, finite repulsions (exponential) lead to sharp pointy contacts with a dissolution rate independent of the load and the liquid viscosity. Ultimately, in steady state, the crystal never touches the substrate when pressed against it. This result is independent from the nature of the crystal-surface interaction due to the combined effects of viscosity and surface tension.

Heat Transfer Modeling for Rigid High-Temperature Fibrous Insulation

NASA Technical Reports Server (NTRS)

Daryabeigi, Kamran; Cunnington, George R.; Knutson, Jeffrey R.

2012-01-01

Combined radiation and conduction heat transfer through a high-temperature, high-porosity, rigid multiple-fiber fibrous insulation was modeled using a thermal model previously used to model heat transfer in flexible single-fiber fibrous insulation. The rigid insulation studied was alumina enhanced thermal barrier (AETB) at densities between 130 and 260 kilograms per cubic meter. The model consists of using the diffusion approximation for radiation heat transfer, a semi-empirical solid conduction model, and a standard gas conduction model. The relevant parameters needed for the heat transfer model were estimated from steady-state thermal measurements in nitrogen gas at various temperatures and environmental pressures. The heat transfer modeling methodology was evaluated by comparison with standard thermal conductivity measurements, and steady-state thermal measurements in helium and carbon dioxide gases. The heat transfer model is applicable over the temperature range of 300 to 1360 K, pressure range of 0.133 to 101.3 x 10(exp 3) Pa, and over the insulation density range of 130 to 260 kilograms per cubic meter in various gaseous environments.

Galactic cosmic-ray mediation of a spherical solar wind flow. 1: The steady state cold gas hydrodynamical approximation

NASA Technical Reports Server (NTRS)

Le Roux, J. A.; Ptuskin, V. S.

1995-01-01

Realistic models of the outer heliosphere should consider that the interstellar cosmic-ray pressure becomes comparable to pressures in the solar wind at distances more than 100 AU from the Sun. The cosmic-ray pressure dynamically affects solar wind flow through deceleration. This effect, which occurs over a scale length of the order of the effective diffusion length at large radial distances, has important implications for cosmic-ray modulation and acceleration. As a first step toward solution of this nonlinear problem, a steady state numerical model was developed for a relatively cold spherical solar wind flow which encounters the confining isotropic pressure of the surrounding Galactic medium. This pressure is assumed to be dominated by energetic particles (Galactic cosmic rays). The system of equations, which are solved self-consistently, includes the relevant hydrodynamical equations for the solar wind flow and the spherical cosmic-ray transport equation. To avoid the closure parameter problem of the two-fluid model, the latter equation is solved for the energy-dependent cosmic-ray distribution function.

Thin film modeling of crystal dissolution and growth in confinement

NASA Astrophysics Data System (ADS)

Gagliardi, Luca; Pierre-Louis, Olivier

2018-01-01

We present a continuum model describing dissolution and growth of a crystal contact confined against a substrate. Diffusion and hydrodynamics in the liquid film separating the crystal and the substrate are modeled within the lubrication approximation. The model also accounts for the disjoining pressure and surface tension. Within this framework, we obtain evolution equations which govern the nonequilibrium dynamics of the crystal interface. Based on this model, we explore the problem of dissolution under an external load, known as pressure solution. We find that in steady state, diverging (power-law) crystal-surface repulsions lead to flat contacts with a monotonic increase of the dissolution rate as a function of the load. Forces induced by viscous dissipation then surpass those due to disjoining pressure at large enough loads. In contrast, finite repulsions (exponential) lead to sharp pointy contacts with a dissolution rate independent of the load and the liquid viscosity. Ultimately, in steady state, the crystal never touches the substrate when pressed against it. This result is independent from the nature of the crystal-surface interaction due to the combined effects of viscosity and surface tension.

A comparison of implantation-driven permeation characteristics of fusion reactor structural materials

NASA Astrophysics Data System (ADS)

Longhurst, G. R.; Anderl, R. A.; Struttmann, D. A.

1986-11-01

Implantation-driven permeation experiments have been conducted on samples of the ferritic steel HT-9, the austenitic Primary Candidate Alloy (PCA) and the vanadium alloy V-15Cr-5Ti using D 3+ ions under conditions that simulate charge-exchange neutral loading on a fusion reactor first wall. The steels all exhibited an initially intense permeation "spike" followed by an exponential decrease to low steady-state values. That spike was not evident in the V-15Cr-5Ti experiments. Steady-state permeation was highest in the vanadium alloy and lowest in the austenitic steel. Though permeation rates in the HT-9 were lower than those in V-15Cr-5Ti, permeation transients were much faster in HT-9 than in other materials tested. Sputtering of the steel surface resulted in enhanced reemission, whereas in the vanadium tests, recombination and diffusivity both appeared to diminish as the deuterium concentration rose. We conclude that for conditions comparable to those of these experiments, tritium retention and permeation loss in first wall structures made of steels will be less than in structures made of V-15Cr-5Ti.

Transient enhanced diffusion in preamorphized silicon: the role of the surface

NASA Astrophysics Data System (ADS)

Cowern, N. E. B.; Alquier, D.; Omri, M.; Claverie, A.; Nejim, A.

1999-01-01

Experiments on the depth dependence of transient enhanced diffusion (TED) of boron during rapid thermal annealing of Ge-preamorphized layers reveal a linear decrease in the diffusion enhancement between the end-of-range (EOR) defect band and the surface. This behavior, which indicates a quasi-steady-state distribution of excess interstitials, emitted from the EOR band and absorbed at the surface, is observed for annealing times as short as 1 s at 900°C. Using an etching procedure we vary the distance xEOR from the EOR band to the surface in the range 80-175 nm, and observe how this influences the interstitial supersaturation, s( x). The supersaturations at the EOR band and the surface remain unchanged, while the gradient d s/d x, and thus the flux to the surface, varies inversely with xEOR. This confirms the validity of earlier modelling of EOR defect evolution in terms of Ostwald ripening, and provides conclusive evidence that the surface is the dominant sink for interstitials during TED.

Block effect on HCV infection by HMGB1 released from virus-infected cells: An insight from mathematical modeling

NASA Astrophysics Data System (ADS)

Wang, Wei; Ma, Wanbiao

2018-06-01

The nuclear protein high-mobility group box 1 (HMGB1) can have an active role in deoxyribonucleic acid (DNA) organization and the regulation of transcription. Based on the new findings from a recent experimental study, the blocking effect on HCV infection by HMGB1 released from virus-infected cells is investigated using a diffusive model for viral infection dynamics. In the model, the diffusion of the virus depends not only on its concentration gradient, but also on the concentration of HMGB1. The basic reproduction number, threshold dynamics, stability properties of the steady states, travelling wave solutions, and spreading speed for the proposed model are studied. We show that the HMGB1-induced blocking of HCV infection slows the spread of virus compared with random diffusion only. Numerically, it is shown that a high concentration of HMGB1 can block the spread of virus and this confirms, not only qualitatively but also quantitatively, the experimental result.

A 1-D Cryothermal Model of Ceres’ Megaregolith: Predictions for Surface Vapor Flux, Subsurface Temperatures and Pore Ice Distribution

NASA Astrophysics Data System (ADS)

Reynolds, Dylan; Wood, Stephen E.; Bapst, Jonathan; Mehlhaff, Joshua; Griffiths, Stephen G.

2014-11-01

We have applied a self-consistent 1-D model for heat diffusion, vapor diffusion, and ice condensation/sublimation, and surface energy balance to investigate our hypothesis for the source of the recently observed water vapor around Ceres [1]. As described in a companion presentation [2], we find that the estimated global flux of 6 kg/s can be produced by steady-state sublimation of subsurface ice driven by the “geothermal” temperature gradient for a heat flux of 1 mW/m2 - the value estimated for a chondritic abundance of heat-producing elements [3,4]. We will present a detailed description of our Ceres cryothermal diffusion model and comparisons with previous models. One key difference is the use of a new physics-based analytic model (‘MaxRTCM’) for calculating the thermal conductivity (Kth) of planetary regolith [5] that has been validated by comparisons to a wide range of laboratory data [6]. MaxRTCM predicts much lower Kth values in the upper regolith than those in previous work [3]. It also accounts for a process first modeled in a study of unstable equatorial ground ice on Mars [7,8], where vapor diffusing up from a receding ice table toward the surface can recondense at shallower depths - eventually forming a steady-state profile of pore ice volume fraction that increases with depth and maintains a constant flux of vapor at all depths [7]. Using MaxRTCM we calculate the corresponding Kth(z) profiles and will present predictions and implications of the resulting temperature profile in the upper few kilometers of Ceres’ megaregolith.References: [1] Küppers et al. (2014), Nature, 505(7484), 525-527. [2] Wood et al., 2014, this meeting. [3] Fanale & Salvail (1989) Icarus 82, 97-110. [4] McCord and Sotin (2005) JGR 110, E05009. [5] Wood (2013) LPSC Abs. 44, 3077. [6] Wood (2014), Icarus, in revision. [7] Mellon et al. (1997), JGR, 102, 19357-69. [8] Clifford (1993), JGR, 98, 10973-11016.

Assessment of articular cartilage repair tissue after matrix-associated autologous chondrocyte transplantation or the microfracture technique in the ankle joint using diffusion-weighted imaging at 3 Tesla.

PubMed

Apprich, S; Trattnig, S; Welsch, G H; Noebauer-Huhmann, I M; Sokolowski, M; Sokolwski, M; Hirschfeld, C; Stelzeneder, D; Domayer, S

2012-07-01

The objective was to compare patients after matrix-associated autologous chondrocyte transplantation (MACT) and microfracture therapy (MFX) of the talus using diffusion-weighted imaging (DWI), with morphological and clinical scoring. Twenty patients treated with MACT or MFX (10 per group) were examined using 3 T magnetic resonance imaging (MRI) at 48 ± 21.5 and 59.6 ± 23 months after surgery, respectively. For comparability, patients from each group were matched by age, body mass index, and follow-up. American Orthopaedic Foot and Ankle Society (AOFAS) score served as clinical assessment tool pre- and postoperatively. DWI was obtained using a partially balanced, steady-state gradient echo pulse sequence, as well as the Magnetic Resonance Observation of Cartilage Repair Tissue (MOCART) score, based on a 2D proton density-weighted turbo spin-echo sequence and a 3D isotropic true fast imaging with steady-state precession sequence. Semi-quantitative diffusion quotients were calculated after region of interest analysis of repair tissue (RT) and healthy control cartilage, and compared among both groups. The mean AOFAS score improved significantly (P = 0.001) for both groups (MACT: 48.8 ± 20.4-83.6 ± 9.7; MFX: 44.3 ± 16.5-77.6 ± 13.2). No differences in the AOFAS (P = 0.327) and MOCART (P = 0.720) score were observed between MACT and MFX postoperatively. DWI distinguished between healthy cartilage and cartilage RT in the MFX group (P = 0.016), but not after MACT treatment (P = 0.105). Significant correlations were found between MOCART score and DWI index after MFX (Pearson: -0.648; P = 0.043), and between the diffusivity and longer follow-up interval in MACT group (Pearson: -0.647, P = 0.043). Whereas conventional scores reveal a similar outcome after MACT or MFX treatment in the ankle joint, DWI was able to distinguish between different RT qualities, as reported histologically for these diverse surgical procedures. Copyright © 2012 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

Resonant Acoustic Measurement of Vapor Phase Transport Phenomenon

NASA Astrophysics Data System (ADS)

Schuhmann, R. J.; Garrett, S. L.; Matson, J. V.

2002-12-01

A major impediment to accurate non steady-state diffusion measurements is the ability to accurately measure and track a rapidly changing gas concentration without disturbing the system. Non-destructive methods that do not interfere with system dynamics have been developed in the past. These methods, however, have tended to be cumbersome or inaccurate at low concentrations. A new experimental approach has been developed to measure gaseous diffusion in free air and through porous materials. The method combines the traditional non steady-state laboratory methodology with resonant acoustic gas analysis. A phase-locked-loop (PLL) resonance frequency tracker is combined with a thermally insulated copper resonator. A piston sealed with a metal bellows excites the fundamental standing wave resonance of the resonator. The PLL maintains a constant phase difference (typically 90§) between the accelerometer mounted on the piston and a microphone near the piston to track the resonance frequency in real time. A capillary or glass bead filled core is fitted into an o-ring sealed opening at the end of the resonator opposite the bellows. The rate at which the tracer gas is replaced by air within the resonator is controlled by the diffusion coefficient of the gas in free air through the capillary (DA) or by the effective diffusion coefficient of the gas through the core (De). The mean molecular weight of the gas mixture in the resonator is directly determined six times each minute from the ratio of the absolute temperature to the square of the fundamental acoustic resonance frequency. Average system stability (temperature divided by frequency squared) is better than 350 ppm. DA values for a 0.3-inch diameter capillary were in excellent agreement with published values. De values for porous media samples (0.5 mm glass beads) of four different lengths (1 through 4 inches) using three different tracer gases (He, CH4, Kr) will be reported. Comments will be offered regarding tracer gas selection and device orientation and their effect on experimental results. [Work supported by the Office of Naval Research.

Effect of viscosity on steady-state voltammetry and scanning electrochemical microscopy in room temperature ionic liquids.

PubMed

Lovelock, Kevin R J; Cowling, Frances N; Taylor, Alasdair W; Licence, Peter; Walsh, Darren A

2010-04-08

The electrochemical properties of a series of room temperature ionic liquids (RTILs) were studied using voltammetric methods and scanning electrochemical microscopy (SECM). The RTILs consisted of 1-alkyl-3-methylimidazolium cations, [C(n)C(1)Im](+), and either bis[(trifluoromethyl)sulfonyl]imide anions, [Tf(2)N](-), or hexafluorophosphate anions, [PF(6)](-). The effect of RTIL viscosity on mass transfer dynamics within each RTIL was studied electrochemically using ferrocene as a redox probe. In the case of the [C(n)C(1)Im][Tf(2)N] RTILs, the viscosity was altered by changing the alkyl chain length. [C(4)C(1)Im][PF(6)] was used for comparison as its viscosity is significantly higher than that of the [C(n)C(1)Im][Tf(2)N] RTILs. The RTIL viscosity affected the ability to record steady-state voltammograms at ultramicroelectrodes (UMEs). For example, it was possible to record steady-state voltammograms at scan rates up to 10 mV s(-1) in [C(2)C(1)Im][Tf(2)N] using 1.5 mum radius disk UMEs, but non-steady-state behavior was observed at 50 mV s(-1). However, at 12.5 microm radius UMEs, steady-state voltammetry was only observed at 1 mV s(-1) in [C(2)C(1)Im][Tf(2)N]. The RTIL viscosity also affected the ability to record SECM feedback approach curves that agreed with conventional SECM theory. In the most viscous [C(n)C(1)Im][Tf(2)N] RTILs, feedback approach curves agreed with conventional theory only when very slow tip approach speeds were used (0.1 microm s(-1)). These observations were interpreted using the Peclet number, which describes the relative contributions of convective and diffusive mass transfer to the tip surface. By recording feedback approach curves in each RTIL at a range of tip approach speeds, we describe the experimental conditions that must be met to perform SECM in imidazolium-based RTILs. The rate of heterogeneous electron transfer across the RTIL/electrode interface was also studied using SECM and the standard heterogeneous electron transfer rate constant, k(0), for ferrocene oxidation recorded in each RTIL was higher than that determined previously using voltammetric methods.

Steady and Unsteady Simulations of the Flow in an Impeller/Diffuser Stage

NASA Technical Reports Server (NTRS)

Canabal, Francisco; Dorney, Daniel J.; Garcia, Roberto; Turner, James E. (Technical Monitor)

2002-01-01

SLI engine designs will require pumps to throttle over a wide flow range while maintaining high performance. Unsteadiness generated by impeller/diffuser interaction is one of the major factors affecting off-design performance. Initial unsteady simulations are completed for impeller/diffuser stage. The Corsair simulations will continue across a wide flow range and for inducer/impeller/diffuser combinations. Results of unsteady simulations are being used to guide and explore new designs.

Molecular Diffusion in Plasma Membranes of Primary Lymphocytes Measured by Fluorescence Correlation Spectroscopy.

PubMed

Staaf, Elina; Bagawath-Singh, Sunitha; Johansson, Sofia

2017-02-01

Fluorescence correlation spectroscopy (FCS) is a powerful technique for studying the diffusion of molecules within biological membranes with high spatial and temporal resolution. FCS can quantify the molecular concentration and diffusion coefficient of fluorescently labeled molecules in the cell membrane. This technique has the ability to explore the molecular diffusion characteristics of molecules in the plasma membrane of immune cells in steady state (i.e., without processes affecting the result during the actual measurement time). FCS is suitable for studying the diffusion of proteins that are expressed at levels typical for most endogenous proteins. Here, a straightforward and robust method to determine the diffusion rate of cell membrane proteins on primary lymphocytes is demonstrated. An effective way to perform measurements on antibody-stained live cells and commonly occurring observations after acquisition are described. The recent advancements in the development of photo-stable fluorescent dyes can be utilized by conjugating the antibodies of interest to appropriate dyes that do not bleach extensively during the measurements. Additionally, this allows for the detection of slowly diffusing entities, which is a common feature of proteins expressed in cell membranes. The analysis procedure to extract molecular concentration and diffusion parameters from the generated autocorrelation curves is highlighted. In summary, a basic protocol for FCS measurements is provided; it can be followed by immunologists with an understanding of confocal microscopy but with no other previous experience of techniques for measuring dynamic parameters, such as molecular diffusion rates.

Lévy flight with absorption: A model for diffusing diffusivity with long tails

NASA Astrophysics Data System (ADS)

Jain, Rohit; Sebastian, K. L.

2017-03-01

We consider diffusion of a particle in rearranging environment, so that the diffusivity of the particle is a stochastic function of time. In our previous model of "diffusing diffusivity" [Jain and Sebastian, J. Phys. Chem. B 120, 3988 (2016), 10.1021/acs.jpcb.6b01527], it was shown that the mean square displacement of particle remains Fickian, i.e., ∝T at all times, but the probability distribution of particle displacement is not Gaussian at all times. It is exponential at short times and crosses over to become Gaussian only in a large time limit in the case where the distribution of D in that model has a steady state limit which is exponential, i.e., πe(D ) ˜e-D /D0 . In the present study, we model the diffusivity of a particle as a Lévy flight process so that D has a power-law tailed distribution, viz., πe(D ) ˜D-1 -α with 0 <α <1 . We find that in the short time limit, the width of displacement distribution is proportional to √{T }, implying that the diffusion is Fickian. But for long times, the width is proportional to T1 /2 α which is a characteristic of anomalous diffusion. The distribution function for the displacement of the particle is found to be a symmetric stable distribution with a stability index 2 α which preserves its shape at all times.

Bacterial chemotaxis along vapor-phase gradients of naphthalene.

PubMed

Hanzel, Joanna; Harms, Hauke; Wick, Lukas Y

2010-12-15

The role of bacterial growth and translocation for the bioremediation of organic contaminants in the vadose zone is poorly understood. Whereas air-filled pores restrict the mobility of bacteria, diffusion of volatile organic compounds in air is more efficient than in water. Past research, however, has focused on chemotactic swimming of bacteria along gradients of water-dissolved chemicals. In this study we tested if and to what extent Pseudomonas putida PpG7 (NAH7) chemotactically reacts to vapor-phase gradients forming above their swimming medium by the volatilization from a spot source of solid naphthalene. The development of an aqueous naphthalene gradient by air-water partitioning was largely suppressed by means of activated carbon in the agar. Surprisingly, strain PpG7 was repelled by vapor-phase naphthalene although the steady state gaseous concentrations were 50-100 times lower than the aqueous concentrations that result in positive chemotaxis of the same strain. It is thus assumed that the efficient gas-phase diffusion resulting in a steady, and possibly toxic, naphthalene flux to the cells controlled the chemotactic reaction rather than the concentration to which the cells were exposed. To our knowledge this is the first demonstration of apparent chemotactic behavior of bacteria in response to vapor-phase effector gradients.

Dynamic Stability of the Rate, State, Temperature, and Pore Pressure Friction Model at a Rock Interface

NASA Astrophysics Data System (ADS)

Sinha, Nitish; Singh, Arun K.; Singh, Trilok N.

2018-05-01

In this article, we study numerically the dynamic stability of the rate, state, temperature, and pore pressure friction (RSTPF) model at a rock interface using standard spring-mass sliding system. This particular friction model is a basically modified form of the previously studied friction model namely the rate, state, and temperature friction (RSTF). The RSTPF takes into account the role of thermal pressurization including dilatancy and permeability of the pore fluid due to shear heating at the slip interface. The linear stability analysis shows that the critical stiffness, at which the sliding becomes stable to unstable or vice versa, increases with the coefficient of thermal pressurization. Critical stiffness, on the other hand, remains constant for small values of either dilatancy factor or hydraulic diffusivity, but the same decreases as their values are increased further from dilatancy factor (˜ 10^{ - 4} ) and hydraulic diffusivity (˜ 10^{ - 9} {m}2 {s}^{ - 1} ) . Moreover, steady-state friction is independent of the coefficient of thermal pressurization, hydraulic diffusivity, and dilatancy factor. The proposed model is also used for predicting time of failure of a creeping interface of a rock slope under the constant gravitational force. It is observed that time of failure decreases with increase in coefficient of thermal pressurization and hydraulic diffusivity, but the dilatancy factor delays the failure of the rock fault under the condition of heat accumulation at the creeping interface. Moreover, stiffness of the rock-mass also stabilizes the failure process of the interface as the strain energy due to the gravitational force accumulates in the rock-mass before it transfers to the sliding interface. Practical implications of the present study are also discussed.

Pseudo Steady-State Free Precession for MR-Fingerprinting.

PubMed

Assländer, Jakob; Glaser, Steffen J; Hennig, Jürgen

2017-03-01

This article discusses the signal behavior in the case the flip angle in steady-state free precession sequences is continuously varied as suggested for MR-fingerprinting sequences. Flip angle variations prevent the establishment of a steady state and introduce instabilities regarding to magnetic field inhomogeneities and intravoxel dephasing. We show how a pseudo steady state can be achieved, which restores the spin echo nature of steady-state free precession. Based on geometrical considerations, relationships between the flip angle, repetition and echo time are derived that suffice to the establishment of a pseudo steady state. The theory is tested with Bloch simulations as well as phantom and in vivo experiments. A typical steady-state free precession passband can be restored with the proposed conditions. The stability of the pseudo steady state is demonstrated by comparing the evolution of the signal of a single isochromat to one resulting from a spin ensemble. As confirmed by experiments, magnetization in a pseudo steady state can be described with fewer degrees of freedom compared to the original fingerprinting and the pseudo steady state results in more reliable parameter maps. The proposed conditions restore the spin-echo-like signal behavior typical for steady-state free precession in fingerprinting sequences, making this approach more robust to B 0 variations. Magn Reson Med 77:1151-1161, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Mechanism for multiplicity of steady states with distinct cell concentration in continuous culture of mammalian cells.

PubMed

Yongky, Andrew; Lee, Jongchan; Le, Tung; Mulukutla, Bhanu Chandra; Daoutidis, Prodromos; Hu, Wei-Shou

2015-07-01

Continuous culture for the production of biopharmaceutical proteins offers the possibility of steady state operations and thus more consistent product quality and increased productivity. Under some conditions, multiplicity of steady states has been observed in continuous cultures of mammalian cells, wherein with the same dilution rate and feed nutrient composition, steady states with very different cell and product concentrations may be reached. At those different steady states, cells may exhibit a high glycolysis flux with high lactate production and low cell concentration, or a low glycolysis flux with low lactate and high cell concentration. These different steady states, with different cell concentration, also have different productivity. Developing a mechanistic understanding of the occurrence of steady state multiplicity and devising a strategy to steer the culture toward the desired steady state is critical. We establish a multi-scale kinetic model that integrates a mechanistic intracellular metabolic model and cell growth model in a continuous bioreactor. We show that steady state multiplicity exists in a range of dilution rate in continuous culture as a result of the bistable behavior in glycolysis. The insights from the model were used to devise strategies to guide the culture to the desired steady state in the multiple steady state region. The model provides a guideline principle in the design of continuous culture processes of mammalian cells. © 2015 Wiley Periodicals, Inc.

An Experimental Investigation of the Laminar Flamelet Concept for Soot Properties

NASA Technical Reports Server (NTRS)

Diez, F. J.; Aalburg, C.; Sunderland, P. B.; Urban, D. L.; Yuan, Z.-G.; Faeth, G. M.

2007-01-01

The soot properties of round, nonbuoyant, laminar jet diffusion flames are described, based on experiments at microgravity carried out on orbit during three flights of the Space Shuttle Columbia, (Flights STS-83, 94 and 107). Experimental conditions included ethylene- and propane-fueled flames burning in still air at an ambient temperature of 300 K and ambient pressures of 35-100 kPa. Measurements included soot volume fraction distributions using deconvoluted laser extinction imaging, and soot temperature distributions using deconvoluted multiline emission imaging. Flowfield modeling based on the work of Spalding is presented. The present work explores whether soot properties of these flames are universal functions of mixture fraction, i.e., whether they satisfy soot state relationships. Measurements are presented, including radiative emissions and distributions of soot temperature and soot volume fraction. It is shown that most of the volume of these flames is bounded by the dividing streamline and thus should follow residence time state relationships. Most streamlines from the fuel supply to the surroundings are found to exhibit nearly the same maximum soot volume fraction and temperature. The radiation intensity along internal streamlines also is found to have relatively uniform values. Finally, soot state relationships were observed, i.e., soot volume fraction was found to correlate with estimated mixture fraction for each fuel/pressure selection. These results support the existence of soot property state relationships for steady nonbuoyant laminar diffusion flames, and thus in a large class of practical turbulent diffusion flames through the application of the laminar flamelet concept.

Active Flow Control in an Aggressive Transonic Diffuser

NASA Astrophysics Data System (ADS)

Skinner, Ryan W.; Jansen, Kenneth E.

2017-11-01

A diffuser exchanges upstream kinetic energy for higher downstream static pressure by increasing duct cross-sectional area. The resulting stream-wise and span-wise pressure gradients promote extensive separation in many diffuser configurations. The present computational work evaluates active flow control strategies for separation control in an asymmetric, aggressive diffuser of rectangular cross-section at inlet Mach 0.7 and Re 2.19M. Corner suction is used to suppress secondary flows, and steady/unsteady tangential blowing controls separation on both the single ramped face and the opposite flat face. We explore results from both Spalart-Allmaras RANS and DDES turbulence modeling frameworks; the former is found to miss key physics of the flow control mechanisms. Simulated baseline, steady, and unsteady blowing performance is validated against experimental data. Funding was provided by Northrop Grumman Corporation, and this research used resources of the Argonne Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC02-06CH11357.

Steady motion of skyrmions and domains walls under diffusive spin torques

NASA Astrophysics Data System (ADS)

Elías, Ricardo Gabriel; Vidal-Silva, Nicolas; Manchon, Aurélien

2017-03-01

We explore the role of the spin diffusion of conducting electrons in two-dimensional magnetic textures (domain walls and skyrmions) with spatial variation of the order of the spin precession length λex. The effect of diffusion reflects in four additional torques that are third order in spatial derivatives of magnetization and bilinear in λex and in the nonadiabatic parameter β'. In order to study the dynamics of the solitons when these diffusive torques are present, we derive the Thiele equation in the limit of steady motion and we compare the results with the nondiffusive limit. When considering a homogenous current these torques increase the longitudinal velocity of transverse domain walls of width Δ by a factor (λex/Δ)2(α/3), α being the magnetic damping constant. In the case of single skyrmions with core radius r0these new contributions tend to increase the Magnus effect in an amount proportional to (λex/r0) 2(1 +2 α β') .

Electrochemical ion transfer across liquid/liquid interfaces confined within solid-state micropore arrays--simulations and experiments.

PubMed

Strutwolf, Jörg; Scanlon, Micheál D; Arrigan, Damien W M

2009-01-01

Miniaturised liquid/liquid interfaces provide benefits for bioanalytical detection with electrochemical methods. In this work, microporous silicon membranes which can be used for interface miniaturisation were characterized by simulations and experiments. The microporous membranes possessed hexagonal arrays of pores with radii between 10 and 25 microm, a pore depth of 100 microm and pore centre-to-centre separations between 99 and 986 microm. Cyclic voltammetry was used to monitor ion transfer across arrays of micro-interfaces between two immiscible electrolyte solutions (microITIES) formed at these membranes, with the organic phase present as an organogel. The results were compared to computational simulations taking into account mass transport by diffusion and encompassing diffusion to recessed interfaces and overlapped diffusion zones. The simulation and experimental data were both consistent with the situation where the location of the liquid/liquid (l/l) interface was on the aqueous side of the silicon membrane and the pores were filled with the organic phase. While the current for the forward potential scan (transfer of the ion from the aqueous phase to the organic phase) was strongly dependent on the location of the l/l interface, the current peak during the reverse scan (transfer of the ion from the organic phase to the aqueous phase) was influenced by the ratio of the transferring ion's diffusion coefficients in both phases. The diffusion coefficient of the transferring ion in the gelified organic phase was ca. nine times smaller than in the aqueous phase. Asymmetric cyclic voltammogram shapes were caused by the combined effect of non-symmetrical diffusion (spherical and linear) and by the inequality of the diffusion coefficient in both phases. Overlapping diffusion zones were responsible for the observation of current peaks instead of steady-state currents during the forward scan. The characterisation of the diffusion behaviour is an important requirement for application of these silicon membranes in electroanalytical chemistry.

Measurement of fluorophore concentrations and fluorescence quantum yield in tissue-simulating phantoms using three diffusion models of steady-state spatially resolved fluorescence.

PubMed

Diamond, Kevin R; Farrell, Thomas J; Patterson, Michael S

2003-12-21

Steady-state diffusion theory models of fluorescence in tissue have been investigated for recovering fluorophore concentrations and fluorescence quantum yield. Spatially resolved fluorescence, excitation and emission reflectance Carlo simulations, and measured using a multi-fibre probe on tissue-simulating phantoms containing either aluminium phthalocyanine tetrasulfonate (AlPcS4), Photofrin meso-tetra-(4-sulfonatophenyl)-porphine dihydrochloride The accuracy of the fluorophore concentration and fluorescence quantum yield recovered by three different models of spatially resolved fluorescence were compared. The models were based on: (a) weighted difference of the excitation and emission reflectance, (b) fluorescence due to a point excitation source or (c) fluorescence due to a pencil beam excitation source. When literature values for the fluorescence quantum yield were used for each of the fluorophores, the fluorophore absorption coefficient (and hence concentration) at the excitation wavelength (mu(a,x,f)) was recovered with a root-mean-square accuracy of 11.4% using the point source model of fluorescence and 8.0% using the more complicated pencil beam excitation model. The accuracy was calculated over a broad range of optical properties and fluorophore concentrations. The weighted difference of reflectance model performed poorly, with a root-mean-square error in concentration of about 50%. Monte Carlo simulations suggest that there are some situations where the weighted difference of reflectance is as accurate as the other two models, although this was not confirmed experimentally. Estimates of the fluorescence quantum yield in multiple scattering media were also made by determining mu(a,x,f) independently from the fitted absorption spectrum and applying the various diffusion theory models. The fluorescence quantum yields for AlPcS4 and TPPS4 were calculated to be 0.59 +/- 0.03 and 0.121 +/- 0.001 respectively using the point source model, and 0.63 +/- 0.03 and 0.129 +/- 0.002 using the pencil beam excitation model. These results are consistent with published values.

Automatic simplification of systems of reaction-diffusion equations by a posteriori analysis.

PubMed

Maybank, Philip J; Whiteley, Jonathan P

2014-02-01

Many mathematical models in biology and physiology are represented by systems of nonlinear differential equations. In recent years these models have become increasingly complex in order to explain the enormous volume of data now available. A key role of modellers is to determine which components of the model have the greatest effect on a given observed behaviour. An approach for automatically fulfilling this role, based on a posteriori analysis, has recently been developed for nonlinear initial value ordinary differential equations [J.P. Whiteley, Model reduction using a posteriori analysis, Math. Biosci. 225 (2010) 44-52]. In this paper we extend this model reduction technique for application to both steady-state and time-dependent nonlinear reaction-diffusion systems. Exemplar problems drawn from biology are used to demonstrate the applicability of the technique. Copyright © 2014 Elsevier Inc. All rights reserved.

Highly Sensitive Detection of Urinary Cadmium to Assess Personal Exposure

PubMed Central

Argun, Avni A.; Banks, Ashley; Merlen, Gwendolynne; Tempelman, Linda A.; Becker, Michael F.; Schuelke, Thomas; Dweik, Badawi

2013-01-01

A series of Boron-Doped Diamond (BDD) ultramicroelectrode arrays were fabricated and investigated for their performance as electrochemical sensors to detect trace level metals such as cadmium. The steady-state diffusion behavior of these sensors was validated using cyclic voltammetry followed by electrochemical detection of cadmium in water and in human urine to demonstrate high sensitivity (>200 μA/ppb/cm2) and low background current (<4 nA). When an array of ultramicroelectrodes was positioned with optimal spacing, these BDD sensors showed a sigmoidal diffusion behavior. They also demonstrated high accuracy with linear dose dependence for quantification of cadmium in a certified reference river water sample from the National Institute of Standards and Technology (NIST) as well as in a human urine sample spiked with 0.25–1 ppb cadmium. PMID:23561905

Applications of NASTRAN to nuclear problems

NASA Technical Reports Server (NTRS)

Spreeuw, E.

1972-01-01

The extent to which suitable solutions may be obtained for one physics problem and two engineering type problems is traced. NASTRAN appears to be a practical tool to solve one-group steady-state neutron diffusion equations. Transient diffusion analysis may be performed after new levels that allow time-dependent temperature calculations are developed. NASTRAN piecewise linear anlaysis may be applied to solve those plasticity problems for which a smooth stress-strain curve can be used to describe the nonlinear material behavior. The accuracy decreases when sharp transitions in the stress-strain relations are involved. Improved NASTRAN usefulness will be obtained when nonlinear material capabilities are extended to axisymmetric elements and to include provisions for time-dependent material properties and creep analysis. Rigid formats 3 and 5 proved to be very convenient for the buckling and normal-mode analysis of a nuclear fuel element.

Numerical simulation of electrophoresis separation processes

NASA Technical Reports Server (NTRS)

Ganjoo, D. K.; Tezduyar, T. E.

1986-01-01

A new Petrov-Galerkin finite element formulation has been proposed for transient convection-diffusion problems. Most Petrov-Galerkin formulations take into account the spatial discretization, and the weighting functions so developed give satisfactory solutions for steady state problems. Though these schemes can be used for transient problems, there is scope for improvement. The schemes proposed here, which consider temporal as well as spatial discretization, provide improved solutions. Electrophoresis, which involves the motion of charged entities under the influence of an applied electric field, is governed by equations similiar to those encountered in fluid flow problems, i.e., transient convection-diffusion equations. Test problems are solved in electrophoresis and fluid flow. The results obtained are satisfactory. It is also expected that these schemes, suitably adapted, will improve the numerical solutions of the compressible Euler and the Navier-Stokes equations.

Impact of oxygen diffusion on superconductivity in YBa2Cu3O7 -δ thin films studied by positron annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Reiner, M.; Gigl, T.; Jany, R.; Hammerl, G.; Hugenschmidt, C.

2018-04-01

The oxygen deficiency δ in YBa2Cu3O7 -δ (YBCO) plays a crucial role for affecting high-temperature superconductivity. We apply (coincident) Doppler broadening spectroscopy of the electron-positron annihilation line to study in situ the temperature dependence of the oxygen concentration and its depth profile in single crystalline YBCO film grown on SrTiO3 (STO) substrates. The oxygen diffusion during tempering is found to lead to a distinct depth dependence of δ , which is not accessible using x-ray diffraction. A steady state reached within a few minutes is defined by both, the oxygen exchange at the surface and at the interface to the STO substrate. Moreover, we reveal the depth-dependent critical temperature Tc in the as prepared and tempered YBCO film.

Semi-analytical solutions of the Schnakenberg model of a reaction-diffusion cell with feedback

NASA Astrophysics Data System (ADS)

Al Noufaey, K. S.

2018-06-01

This paper considers the application of a semi-analytical method to the Schnakenberg model of a reaction-diffusion cell. The semi-analytical method is based on the Galerkin method which approximates the original governing partial differential equations as a system of ordinary differential equations. Steady-state curves, bifurcation diagrams and the region of parameter space in which Hopf bifurcations occur are presented for semi-analytical solutions and the numerical solution. The effect of feedback control, via altering various concentrations in the boundary reservoirs in response to concentrations in the cell centre, is examined. It is shown that increasing the magnitude of feedback leads to destabilization of the system, whereas decreasing this parameter to negative values of large magnitude stabilizes the system. The semi-analytical solutions agree well with numerical solutions of the governing equations.

Development of traceable measurement of the diffuse optical properties of solid reference standards for biomedical optics at National Institute of Standards and Technology.

PubMed

Lemaillet, Paul; Bouchard, Jean-Pierre; Allen, David W

2015-07-01

The development of a national reference instrument dedicated to the measurement of the scattering and absorption properties of solid tissue-mimicking phantoms used as reference standards is presented. The optical properties of the phantoms are measured with a double-integrating sphere setup in the steady-state domain, coupled with an inversion routine of the adding-doubling procedure that allows for the computation of the uncertainty budget for the measurements. The results are compared to the phantom manufacturer's values obtained by a time-resolved approach. The results suggest that the agreement between these two independent methods is within the estimated uncertainties. This new reference instrument will provide optical biomedical research laboratories with reference values for absolute diffuse optical properties of phantom materials.

Orbital Transfer Vehicle Engine Technology High Velocity Ratio Diffusing Crossover

NASA Technical Reports Server (NTRS)

Lariviere, Brian W.

1992-01-01

High speed, high efficiency head rise multistage pumps require continuous passage diffusing crossovers to effectively convey the pumped fluid from the exit of one impeller to the inlet of the next impeller. On Rocketdyne's Orbital Transfer Vehicle (OTV), the MK49-F, a three stage high pressure liquid hydrogen turbopump, utilizes a 6.23 velocity ratio diffusing crossover. This velocity ratio approaches the diffusion limits for stable and efficient flow over the operating conditions required by the OTV system. The design of the high velocity ratio diffusing crossover was based on advanced analytical techniques anchored by previous tests of stationary two-dimensional diffusers with steady flow. To secure the design and the analytical techniques, tests were required with the unsteady whirling characteristics produced by an impeller. A tester was designed and fabricated using a 2.85 times scale model of the MK49-F turbopumps first stage, including the inducer, impeller, and the diffusing crossover. Water and air tests were completed to evaluate the large scale turbulence, non-uniform velocity, and non-steady velocity on the pump and crossover head and efficiency. Suction performance tests from 80 percent to 124 percent of design flow were completed in water to assess these pump characteristics. Pump and diffuser performance from the water and air tests were compared with the actual MK49-F test data in liquid hydrogen.

Membrane Diffusion Occurs by Continuous-Time Random Walk Sustained by Vesicular Trafficking.

PubMed

Goiko, Maria; de Bruyn, John R; Heit, Bryan

2018-06-19

Diffusion in cellular membranes is regulated by processes that occur over a range of spatial and temporal scales. These processes include membrane fluidity, interprotein and interlipid interactions, interactions with membrane microdomains, interactions with the underlying cytoskeleton, and cellular processes that result in net membrane movement. The complex, non-Brownian diffusion that results from these processes has been difficult to characterize, and moreover, the impact of factors such as membrane recycling on membrane diffusion remains largely unexplored. We have used a careful statistical analysis of single-particle tracking data of the single-pass plasma membrane protein CD93 to show that the diffusion of this protein is well described by a continuous-time random walk in parallel with an aging process mediated by membrane corrals. The overall result is an evolution in the diffusion of CD93: proteins initially diffuse freely on the cell surface but over time become increasingly trapped within diffusion-limiting membrane corrals. Stable populations of freely diffusing and corralled CD93 are maintained by an endocytic/exocytic process in which corralled CD93 is selectively endocytosed, whereas freely diffusing CD93 is replenished by exocytosis of newly synthesized and recycled CD93. This trafficking not only maintained CD93 diffusivity but also maintained the heterogeneous distribution of CD93 in the plasma membrane. These results provide insight into the nature of the biological and biophysical processes that can lead to significantly non-Brownian diffusion of membrane proteins and demonstrate that ongoing membrane recycling is critical to maintaining steady-state diffusion and distribution of proteins in the plasma membrane. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Nonconstant Positive Steady States and Pattern Formation of 1D Prey-Taxis Systems

NASA Astrophysics Data System (ADS)

Wang, Qi; Song, Yang; Shao, Lingjie

2017-02-01

Prey-taxis is the process that predators move preferentially toward patches with highest density of prey. It is well known to have an important role in biological control and the maintenance of biodiversity. To model the coexistence and spatial distributions of predator and prey species, this paper concerns nonconstant positive steady states of a wide class of prey-taxis systems with general functional responses over 1D domain. Linearized stability of the positive equilibrium is analyzed to show that prey-taxis destabilizes prey-predator homogeneity when prey repulsion (e.g., due to volume-filling effect in predator species or group defense in prey species) is present, and prey-taxis stabilizes the homogeneity otherwise. Then, we investigate the existence and stability of nonconstant positive steady states to the system through rigorous bifurcation analysis. Moreover, we provide detailed and thorough calculations to determine properties such as pitchfork and turning direction of the local branches. Our stability results also provide a stable wave mode selection mechanism for thee reaction-advection-diffusion systems including prey-taxis models considered in this paper. Finally, we provide numerical studies of prey-taxis systems with Holling-Tanner kinetics to illustrate and support our theoretical findings. Our numerical simulations demonstrate that the 2× 2 prey-taxis system is able to model the formation and evolution of various striking patterns, such as spikes, periodic oscillations, and coarsening even when the domain is one-dimensional. These dynamics can model the coexistence and spatial distributions of interacting prey and predator species. We also give some insights on how system parameters influence pattern formation in these models.

Diffusion in cementitious materials. 2: Further investigations of chloride and oxygen diffusion in well-cured OPC and OPC/30%PFA pastes

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

Ngala, V.T.; Page, C.L.; Parrott, L.J.

1995-05-01

Steady-state diffusion of dissolved oxygen and chloride ions in hydrated OPC and OPC/30%PFA pastes, hydrated for 2 weeks at 20 C and 10 weeks at 38 C, was studied at water/binder (w/s) ratios 0.4, 0.5, 0.6 and 0.7. Total porosity and a simple measure of capillary porosity, the volume fractions of the water lost in specimens from a saturated surface dry condition to a near-constant weight at 90.7% relative humidity, were also determined. The diffusion rate of chloride ions diminished markedly, to very low values, as the capillary porosity approached zero. For a given w/s ratio or capillary porosity themore » chloride ion diffusion coefficient for OPC/30%PFA pastes was about one order of magnitude smaller than that to OPC pastes. The rate of diffusion of dissolved oxygen also diminished as the capillary porosity reduced but it was still significant as the capillary porosity approached zero. For a given capillary porosity the oxygen diffusion coefficient for OPC/30%PFA pastes was about 30% smaller than that for OPC pastes. The results support the view that chloride ion diffusion in pastes of low capillary porosity is retarded by the surface charge of the hydrated cement gel. In contrast, the hydrated cement gel is much more permeable to the similarly-sized, neutral oxygen molecule.« less

Three-dimensional modeling, estimation, and fault diagnosis of spacecraft air contaminants.

PubMed

Narayan, A P; Ramirez, W F

1998-01-01

A description is given of the design and implementation of a method to track the presence of air contaminants aboard a spacecraft using an accurate physical model and of a procedure that would raise alarms when certain tolerance levels are exceeded. Because our objective is to monitor the contaminants in real time, we make use of a state estimation procedure that filters measurements from a sensor system and arrives at an optimal estimate of the state of the system. The model essentially consists of a convection-diffusion equation in three dimensions, solved implicitly using the principle of operator splitting, and uses a flowfield obtained by the solution of the Navier-Stokes equations for the cabin geometry, assuming steady-state conditions. A novel implicit Kalman filter has been used for fault detection, a procedure that is an efficient way to track the state of the system and that uses the sparse nature of the state transition matrices.

Quasi-steady state conditions in heterogeneous aquifers during pumping tests

NASA Astrophysics Data System (ADS)

Zha, Yuanyuan; Yeh, Tian-Chyi J.; Shi, Liangsheng; Huang, Shao-Yang; Wang, Wenke; Wen, Jet-Chau

2017-08-01

Classical Thiem's well hydraulic theory, other aquifer test analyses, and flow modeling efforts often assume the existence of ;quasi-steady; state conditions. That is, while drawdowns due to pumping continue to grow, the hydraulic gradient in the vicinity of the pumping well does not change significantly. These conditions have built upon two-dimensional and equivalent homogeneous conceptual models, but few field data have been available to affirm the existence of these conditions. Moreover, effects of heterogeneity and three-dimensional flow on this quasi-steady state concept have not been thoroughly investigated and discussed before. In this study, we first present a quantitative definition of quasi-steady state (or steady-shape conditions) and steady state conditions based on the analytical solution of two- or three-dimensional flow induced by pumping in unbounded, homogeneous aquifers. Afterward, we use a stochastic analysis to investigate the influence of heterogeneity on the quasi-steady state concept in heterogeneous aquifers. The results of the analysis indicate that the time to reach an approximate quasi-steady state in a heterogeneous aquifer could be quite different from that estimated based on a homogeneous model. We find that heterogeneity of aquifer properties, especially hydraulic conductivity, impedes the development of the quasi-steady state condition before the flow reaching steady state. Finally, 280 drawdown-time data from the hydraulic tomographic survey conducted at a field site corroborate our finding that the quasi-steady state condition likely would not take place in heterogeneous aquifers unless pumping tests last a long period. Research significance (1) Approximate quasi-steady and steady state conditions are defined for two- or three-dimensional flow induced by pumping in unbounded, equivalent homogeneous aquifers. (2) Analysis demonstrates effects of boundary condition, well screen interval, and heterogeneity of parameters on the existence of the quasi-steady, and validity of approximate quasi-steady concept. (3) Temporal evaluation of information content about heterogeneity in head observations are analyzed in heterogeneous aquifer. (4) 280 observed drawdown-time data corroborate the stochastic analysis that quasi-steady is difficult to reach in highly heterogeneous aquifers.

Estimating systemic exposure to levonorgestrel from an oral contraceptive.

PubMed

Basaraba, Cale N; Westhoff, Carolyn L; Pike, Malcolm C; Nandakumar, Renu; Cremers, Serge

2017-04-01

The gold standard for measuring oral contraceptive (OC) pharmacokinetics is the 24-h steady-state area under the curve (AUC). We conducted this study to assess whether limited sampling at steady state or measurements following use of one or two OCs could provide an adequate proxy in epidemiological studies for the progestin 24-h steady-state AUC of a particular OC. We conducted a 13-sample, 24-h pharmacokinetic study on both day 1 and day 21 of the first cycle of a monophasic OC containing 30-mcg ethinyl estradiol and 150-mcg levonorgestrel (LNG) in 17 normal-weight healthy White women and a single-dose 9-sample study of the same OC after a 1-month washout. We compared the 13-sample steady-state results with several steady-state and single-dose results calculated using parsimonious sampling schemes. The 13-sample steady-state 24-h LNG AUC was highly correlated with the steady-state 24-h trough value [r=0.95; 95% confidence interval (0.85, 0.98)] and with the steady-state 6-, 8-, 12- and 16-h values (0.92≤r≤0.95). The trough values after one or two doses were moderately correlated with the steady-state 24-h AUC value [r=0.70; 95% CI (0.27, 0.90) and 0.77; 95% CI (0.40, 0.92), respectively]. Single time-point concentrations at steady state and after administration of one or two OCs gave highly to moderately correlated estimates of steady-state LNG AUC. Using such measures could facilitate prospective pharmaco-epidemiologic studies of the OC and its side effects. A single time-point LNG concentration at steady state is an excellent proxy for complete and resource-intensive steady-state AUC measurement. The trough level after two single doses is a fair proxy for steady-state AUC. These results provide practical tools to facilitate large studies to investigate the relationship between systemic LNG exposure and side effects in a real-life setting. Copyright © 2017 Elsevier Inc. All rights reserved.

Redox-stratification controlled biofilm (ReSCoBi) for completely autotrophic nitrogen removal: the effect of co- versus counter-diffusion on reactor performance.

PubMed

Terada, Akihiko; Lackner, Susanne; Tsuneda, Satoshi; Smets, Barth F

2007-05-01

A multi-population biofilm model for completely autotrophic nitrogen removal was developed and implemented in the simulation program AQUASIM to corroborate the concept of a redox-stratification controlled biofilm (ReSCoBi). The model considers both counter- and co-diffusion biofilm geometries. In the counter-diffusion biofilm, oxygen is supplied through a gas-permeable membrane that supports the biofilm while ammonia (NH(4)(+)) is supplied from the bulk liquid. On the contrary, in the co-diffusion biofilm, both oxygen and NH(4)(+) are supplied from the bulk liquid. Results of the model revealed a clear stratification of microbial activities in both of the biofilms, the resulting chemical profiles, and the obvious effect of the relative surface loadings of oxygen and NH(4)(+) (J(O(2))/J(NH(4)(+))) on the reactor performances. Steady-state biofilm thickness had a significant but different effect on T-N removal for co- and counter-diffusion biofilms: the removal efficiency in the counter-diffusion biofilm geometry was superior to that in the co-diffusion counterpart, within the range of 450-1,400 microm; however, the efficiency deteriorated with a further increase in biofilm thickness, probably because of diffusion limitation of NH(4)(+). Under conditions of oxygen excess (J(O(2))/J(NH(4)(+)) > 3.98), almost all NH(4)(+) was consumed by aerobic ammonia oxidation in the co-diffusion biofilm, leading to poor performance, while in the counter-diffusion biofilm, T-N removal efficiency was maintained because of the physical location of anaerobic ammonium oxidizers near the bulk liquid. These results clearly reveal that counter-diffusion biofilms have a wider application range for autotrophic T-N removal than co-diffusion biofilms. (c) 2006 Wiley Periodicals, Inc.

Enhancing emotional-based target prediction

NASA Astrophysics Data System (ADS)

Gosnell, Michael; Woodley, Robert

2008-04-01

This work extends existing agent-based target movement prediction to include key ideas of behavioral inertia, steady states, and catastrophic change from existing psychological, sociological, and mathematical work. Existing target prediction work inherently assumes a single steady state for target behavior, and attempts to classify behavior based on a single emotional state set. The enhanced, emotional-based target prediction maintains up to three distinct steady states, or typical behaviors, based on a target's operating conditions and observed behaviors. Each steady state has an associated behavioral inertia, similar to the standard deviation of behaviors within that state. The enhanced prediction framework also allows steady state transitions through catastrophic change and individual steady states could be used in an offline analysis with additional modeling efforts to better predict anticipated target reactions.

Steady- and non-steady-state carbonate-silicate controls on atmospheric CO2

USGS Publications Warehouse

Sundquist, E.T.

1991-01-01

Two contrasting hypotheses have recently been proposed for the past long-term relation between atmospheric CO2 and the carbonate-silicate geochemical cycle. One approach (Berner, 1990) suggests that CO2 levels have varied in a manner that has maintained chemical weathering and carbonate sedimentation at a steady state with respect to tectonically controlled decarbonation reactions. A second approach (Raymo et al., 1988), applied specificlly to the late Cenozoic, suggests a decrease in CO2 caused by an uplift-induced increase in chemical weathering, without regard to the rate of decarbonation. According to the steady-state (first) hypothesis, increased weathering and carbonate sedimentation are generally associated with increasing atmospheric CO2, whereas the uplift (second) hypothesis implies decreasing CO2 under the same conditions. An ocean-atmosphere-sediment model has been used to assess the response of atmospheric CO2 and carbonate sedimentation to global perturbations in chemical weathering and decarbonation reactions. Although this assessment is theoretical and cannot yet be related to the geologic record, the model simulations compare steady-state and non-steady-state carbonate-silicate cycle response. The e-fold response time of the 'CO2-weathering' feedback mechanism is between 300 and 400 ka. The response of carbonate sedimentation is much more rapid. These response times provide a measure of the strength of steady-state assumptions, and imply that certain systematic relations are sustained throughout steady-state and non-steady-state scenarios for the carbonate-silicate cycle. The simulations suggest that feedbacks can maintain the system near a steady state, but that non-steady-state effects may contribute to long-term trends. The steady-state and uplift hypotheses are not necessarily incompatible over time scales of a few million years. ?? 1991.

Quantitative dual-probe microdialysis: mathematical model and analysis.

PubMed

Chen, Kevin C; Höistad, Malin; Kehr, Jan; Fuxe, Kjell; Nicholson, Charles

2002-04-01

Steady-state microdialysis is a widely used technique to monitor the concentration changes and distributions of substances in tissues. To obtain more information about brain tissue properties from microdialysis, a dual-probe approach was applied to infuse and sample the radiotracer, [3H]mannitol, simultaneously both in agar gel and in the rat striatum. Because the molecules released by one probe and collected by the other must diffuse through the interstitial space, the concentration profile exhibits dynamic behavior that permits the assessment of the diffusion characteristics in the brain extracellular space and the clearance characteristics. In this paper a mathematical model for dual-probe microdialysis was developed to study brain interstitial diffusion and clearance processes. Theoretical expressions for the spatial distribution of the infused tracer in the brain extracellular space and the temporal concentration at the probe outlet were derived. A fitting program was developed using the simplex algorithm, which finds local minima of the standard deviations between experiments and theory by adjusting the relevant parameters. The theoretical curves accurately fitted the experimental data and generated realistic diffusion parameters, implying that the mathematical model is capable of predicting the interstitial diffusion behavior of [3H]mannitol and that it will be a valuable quantitative tool in dual-probe microdialysis.

Hyperspectral diffuse reflectance for determination of the optical properties of milk and fruit and vegetable juices

NASA Astrophysics Data System (ADS)

Qin, Jianwei; Lu, Renfu

2005-11-01

Absorption and reduced scattering coefficients are two fundamental optical properties for turbid biological materials. This paper presents the technique and method of using hyperspectral diffuse reflectance for fast determination of the optical properties of fruit and vegetable juices and milks. A hyperspectral imaging system was used to acquire spatially resolved steady-state diffuse reflectance over the spectral region between 530 and 900 nm from a variety of fruit and vegetable juices (citrus, grapefruit, orange, and vegetable) and milks with different fat levels (full, skim and mixed). The system collected diffuse reflectance in the source-detector separation range from 1.1 to 10.0 mm. The hyperspectral reflectance data were analyzed by using a diffusion theory model for semi-infinite homogeneous media. The absorption and reduced scattering coefficients of the fruit and vegetable juices and milks were extracted by inverse algorithms from the scattering profiles for wavelengths of 530-900 nm. Values of the absorption and reduced scattering coefficient at 650 nm were highly correlated to the fat content of the milk samples with the correlation coefficient of 0.990 and 0.989, respectively. The hyperspectral imaging technique can be extended to the measurement of other liquid and solid foods in which light scattering is dominant.

A finite elements method to solve the Bloch–Torrey equation applied to diffusion magnetic resonance imaging

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

Nguyen, Dang Van; NeuroSpin, Bat145, Point Courrier 156, CEA Saclay Center, 91191 Gif-sur-Yvette Cedex; Li, Jing-Rebecca, E-mail: jingrebecca.li@inria.fr

2014-04-15

The complex transverse water proton magnetization subject to diffusion-encoding magnetic field gradient pulses in a heterogeneous medium can be modeled by the multiple compartment Bloch–Torrey partial differential equation (PDE). In addition, steady-state Laplace PDEs can be formulated to produce the homogenized diffusion tensor that describes the diffusion characteristics of the medium in the long time limit. In spatial domains that model biological tissues at the cellular level, these two types of PDEs have to be completed with permeability conditions on the cellular interfaces. To solve these PDEs, we implemented a finite elements method that allows jumps in the solution atmore » the cell interfaces by using double nodes. Using a transformation of the Bloch–Torrey PDE we reduced oscillations in the searched-for solution and simplified the implementation of the boundary conditions. The spatial discretization was then coupled to the adaptive explicit Runge–Kutta–Chebyshev time-stepping method. Our proposed method is second order accurate in space and second order accurate in time. We implemented this method on the FEniCS C++ platform and show time and spatial convergence results. Finally, this method is applied to study some relevant questions in diffusion MRI.« less

In Silico Estimation of Skin Concentration Following the Dermal Exposure to Chemicals.

PubMed

Hatanaka, Tomomi; Yoshida, Shun; Kadhum, Wesam R; Todo, Hiroaki; Sugibayashi, Kenji

2015-12-01

To develop an in silico method based on Fick's law of diffusion to estimate the skin concentration following dermal exposure to chemicals with a wide range of lipophilicity. Permeation experiments of various chemicals were performed through rat and porcine skin. Permeation parameters, namely, permeability coefficient and partition coefficient, were obtained by the fitting of data to two-layered and one-layered diffusion models for whole and stripped skin. The mean skin concentration of chemicals during steady-state permeation was calculated using the permeation parameters and compared with the observed values. All permeation profiles could be described by the diffusion models. The estimated skin concentrations of chemicals using permeation parameters were close to the observed levels and most data fell within the 95% confidence interval for complete prediction. The permeability coefficient and partition coefficient for stripped skin were almost constant, being independent of the permeant's lipophilicity. Skin concentration following dermal exposure to various chemicals can be accurately estimated based on Fick's law of diffusion. This method should become a useful tool to assess the efficacy of topically applied drugs and cosmetic ingredients, as well as the risk of chemicals likely to cause skin disorders and diseases.

Observations of Methane and Ethylene Diffusion Flames Stabilized Around a Blowing Porous Sphere Under Microgravity Conditions

NASA Technical Reports Server (NTRS)

Atreya, Arvind; Agrawal, Sanjay; Sacksteder, Kurt; Baum, Howard R.

1994-01-01

This paper presents the experimental and theoretical results for expanding methane and ethylene diffusion flames in microgravity. A small porous sphere made from a low-density and low-heat-capacity insulating material was used to uniformly supply fuel at a constant rate to the expanding diffusion flame. A theoretical model which includes soot and gas radiation is formulated but only the problem pertaining to the transient expansion of the flame is solved by assuming constant pressure infinitely fast one-step ideal gas reaction and unity Lewis number. This is a first step toward quantifying the effect of soot and gas radiation on these flames. The theoretically calculated expansion rate is in good agreement with the experimental results. Both experimental and theoretical results show that as the flame radius increases, the flame expansion process becomes diffusion controlled and the flame radius grows as gamma t. Theoretical calculations also show that for a constant fuel mass injection rate a quasi-steady state is developed in the region surrounded by the flame and the mass flow rate at any location inside this region equals the mass injection rate.

Bifurcation analysis of a delay reaction-diffusion malware propagation model with feedback control

NASA Astrophysics Data System (ADS)

Zhu, Linhe; Zhao, Hongyong; Wang, Xiaoming

2015-05-01

With the rapid development of network information technology, information networks security has become a very critical issue in our work and daily life. This paper attempts to develop a delay reaction-diffusion model with a state feedback controller to describe the process of malware propagation in mobile wireless sensor networks (MWSNs). By analyzing the stability and Hopf bifurcation, we show that the state feedback method can successfully be used to control unstable steady states or periodic oscillations. Moreover, formulas for determining the properties of the bifurcating periodic oscillations are derived by applying the normal form method and center manifold theorem. Finally, we conduct extensive simulations on large-scale MWSNs to evaluate the proposed model. Numerical evidences show that the linear term of the controller is enough to delay the onset of the Hopf bifurcation and the properties of the bifurcation can be regulated to achieve some desirable behaviors by choosing the appropriate higher terms of the controller. Furthermore, we obtain that the spatial-temporal dynamic characteristics of malware propagation are closely related to the rate constant for nodes leaving the infective class for recovered class and the mobile behavior of nodes.

Cumulants and large deviations of the current through non-equilibrium steady states

NASA Astrophysics Data System (ADS)

Bodineau, Thierry; Derrida, Bernard

2007-06-01

Using a generalisation of detailed balance for systems maintained out of equilibrium by contact with 2 reservoirs at unequal temperatures or at unequal densities, one can recover the fluctuation theorem for the large deviation function of the current. For large diffusive systems, we show how the large deviation function of the current can be computed using a simple additivity principle. The validity of this additivity principle and the occurrence of phase transitions are discussed in the framework of the macroscopic fluctuation theory. To cite this article: T. Bodineau, B. Derrida, C. R. Physique 8 (2007).

Numerical simulation of the dielectrophoretic concentration of DNA particles and the effect of AC electroosmosis

NASA Astrophysics Data System (ADS)

Loucaides, N. G.; Georghiou, G. E.; Charalambous, C. D.

2007-04-01

The dielectrophoretic concentration of DNA particles suspended in a solution is investigated in a system of parallel electrodes, where the particles are attracted to the edges of the electrodes by positive dielectrophoresis. The AC electroosmotic motion of the fluid is also considered, as well as the diffusion of the particles, using the solution of the Smoluchowski equation. The results examine the effect of AC electroosmosis in steady state dielectrophoretic concentration of particles, by demonstrating that AC electroosmosis significantly reduces the dielectrophoretic concentration at the edges and moves the particles towards the electrode centres.

The Earth’s Radiation Belts.

DTIC Science & Technology

1983-09-20

on -- 1d. It --- . d id-er, c S, blck -.o~b.1) ’Trapped radiation Steady-state miodels Adiabatic invariants Empirical flux models Diffusion equations...Shell -splitting, Transport theory Nuclear detonations Wave-oarticle interactions Effects on microelectronics 20 ABSTRACT ( C -0- n OR e -~ d . It -~e-lay...olo -i t i os5 at 500 ke\\% live lrtI’m i s pt, eOI iS .1: litv, ,Ie It if 5)ht* stIweo f iul-’t, wi te thle hie av itk, i il - il v t’il 1 Ltt sI c a

Particle pinch with fully noninductive lower hybrid current drive in Tore Supra.

PubMed

Hoang, G T; Bourdelle, C; Pégourié, B; Schunke, B; Artaud, J F; Bucalossi, J; Clairet, F; Fenzi-Bonizec, C; Garbet, X; Gil, C; Guirlet, R; Imbeaux, F; Lasalle, J; Loarer, T; Lowry, C; Travère, J M; Tsitrone, E

2003-04-18

Recently, plasmas exceeding 4 min have been obtained with lower hybrid current drive (LHCD) in Tore Supra. These LHCD plasmas extend for over 80 times the resistive current diffusion time with zero loop voltage. Under such unique conditions the neoclassical particle pinch driven by the toroidal electric field vanishes. Nevertheless, the density profile remains peaked for more than 4 min. For the first time, the existence of an inward particle pinch in steady-state plasma without toroidal electric field, much larger than the value predicted by the collisional neoclassical theory, is experimentally demonstrated.

Mathematical modeling and computer simulation of isoelectric focusing with electrochemically defined ampholytes

NASA Technical Reports Server (NTRS)

Palusinski, O. A.; Allgyer, T. T.; Mosher, R. A.; Bier, M.; Saville, D. A.

1981-01-01

A mathematical model of isoelectric focusing at the steady state has been developed for an M-component system of electrochemically defined ampholytes. The model is formulated from fundamental principles describing the components' chemical equilibria, mass transfer resulting from diffusion and electromigration, and electroneutrality. The model consists of ordinary differential equations coupled with a system of algebraic equations. The model is implemented on a digital computer using FORTRAN-based simulation software. Computer simulation data are presented for several two-component systems showing the effects of varying the isoelectric points and dissociation constants of the constituents.

Profiling of barrier capacitance and spreading resistance using a transient linearly increasing voltage technique.

PubMed

Gaubas, E; Ceponis, T; Kusakovskij, J

2011-08-01

A technique for the combined measurement of barrier capacitance and spreading resistance profiles using a linearly increasing voltage pulse is presented. The technique is based on the measurement and analysis of current transients, due to the barrier and diffusion capacitance, and the spreading resistance, between a needle probe and sample. To control the impact of deep traps in the barrier capacitance, a steady state bias illumination with infrared light was employed. Measurements of the spreading resistance and barrier capacitance profiles using a stepwise positioned probe on cross sectioned silicon pin diodes and pnp structures are presented.

Non-oscillatory and non-diffusive solution of convection problems by the iteratively reweighted least-squares finite element method

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan

1993-01-01

A comparative description is presented for the least-squares FEM (LSFEM) for 2D steady-state pure convection problems. In addition to exhibiting better control of the streamline derivative than the streamline upwinding Petrov-Galerkin method, numerical convergence rates are obtained which show the LSFEM to be virtually optimal. The LSFEM is used as a framework for an iteratively reweighted LSFEM yielding nonoscillatory and nondiffusive solutions for problems with contact discontinuities; this method is shown to convect contact discontinuities without error when using triangular and bilinear elements.

A Closely Coupled Experimental and Numerical Approach for Hypersonic and High Enthalpy Flow Investigations Utilising the HEG Shock Tunnel and the DLR TAU Code

DTIC Science & Technology

2010-04-01

factorization scheme (Lower-Upper Symmetric Gauss- Seidel ) can be used for time integration. Additional convergence acceleration is achieved by the...of the full Stefan -Maxwell equations. The diffusive mass flux of species S is computed according to: for 1 for jS S S Sm j jm S j eS jd S S S j j j...approximate factorization scheme (Lower-Upper Symmetric Gauss- Seidel ). For steady state problems, equation (69) reduces to R=0 because ddU t

Macromolecular crowding impacts on the diffusion and conformation of DNA hairpins

NASA Astrophysics Data System (ADS)

Stiehl, Olivia; Weidner-Hertrampf, Kathrin; Weiss, Matthias

2015-01-01

Biochemical reactions in crowded fluids differ significantly from those in dilute solutions. Both, excluded-volume interactions with surrounding macromolecules ("crowders") and an enhanced rebinding of reaction partners due to crowding-induced viscoelasticity and subdiffusion have been hypothesized to shift chemical equilibria towards the associated state. We have explored the impact of both cues in an experimentally tunable system by monitoring the steady-state fraction of open DNA hairpins in crowded fluids with varying viscoelastic characteristics but similar occupied volume fractions. As a result, we observed an increased fraction of closed DNA hairpins in viscoelastic crowded fluids. Our observations compare favorably to a simple statistical model that considers both facets of crowding, while preferential interactions between crowders and DNA hairpins appear to have little influence.

Effects of wingtip modifications on handling qualities of agricultural aircraft

NASA Technical Reports Server (NTRS)

Van Dam, C. P.

1981-01-01

The effect of wingtip modifications on the stability and control characteristics of an agricultural airplane has been studied by means of a nonplanar quasi-vortex-lattice method. The method is used to compute the changes in steady state and perturbed state lateral-directional stability and control derivatives produced by wingtip mounted winglets, vortex diffuser vanes, and tip extensions. The study shows that the combination of the excessive positive dihedral effect produced by the winglets and adverse yaw due to aileron deflection can have a detrimental effect on the roll control characteristics of the airplane. Introduction of an aileron-rudder-interconnect, and reduction of the effective dihedral by canting-in of the winglets, or addition of a lower winglet can eliminate the roll control problems.

Steady state volcanism - Evidence from eruption histories of polygenetic volcanoes

NASA Technical Reports Server (NTRS)

Wadge, G.

1982-01-01

Cumulative volcano volume curves are presented as evidence for steady-state behavior at certain volcanoes and to develop a model of steady-state volcanism. A minimum criteria of five eruptions over a year was chosen to characterize a steady-state volcano. The subsequent model features a constant head of magmatic pressure from a reservoir supplied from depth, a sawtooth curve produced by the magma arrivals or discharge from the subvolcanic reservoir, large volume eruptions with long repose periods, and conditions of nonsupply of magma. The behavior of Mts. Etna, Nyamuragira, and Kilauea are described and show continuous levels of plasma output resulting in cumulative volume increases. Further discussion is made of steady-state andesitic and dacitic volcanism, long term patterns of the steady state, and magma storage, and the lack of a sufficient number of steady-state volcanoes in the world is taken as evidence that further data is required for a comprehensive model.

Strain-Rate-Free Diffusion Flames: Initiation, Properties, and Quenching

NASA Technical Reports Server (NTRS)

Fendell, Francis; Rungaldier, Harald; Gokoglu, Suleyman; Schultz, Donald

1997-01-01

For about a half century, the stabilization of a steady planar deflagration on a heat-sink-type flat-flame burner has been of extraordinary service for the theoretical modeling and diagnostic probing of combusting gaseous mixtures. However, most engineering devices and most unwanted fire involve the burning of initially unmixed reactants. The most vigorous burning of initially separated gaseous fuel and oxidizer is the diffusion flame. In this useful idealization (limiting case), the reactants are converted to product at a mathematically thin interface, so no interpenetration of fuel and oxidizer occurs. This limit is of practical importance because it often characterizes the condition of optimal performance (and sometimes environmentally objectionable operation) of a combustor. A steady planar diffusion flame is most closely approached in the laboratory in the counterflow apparatus. The utility of this simple-strain-rate flow for the modeling and probing of diffusion flames was noted by Pandya and Weinberg 35 years ago, though only in the last decade or so has its use become internationally common place. However, typically, as the strain rate a is reduced below about 20 cm(exp -1), and the diffusion-flame limit (reaction rate much faster than the flow rate) is approached, the burning is observed to become unstable in earth gravity. The advantageous steady planar flow is not available in the diffusion-flame limit in earth gravity. This is unfortunate because the typical spatial scale in a counterflow is (k/a)(sup 1/2), where k denotes a characteristic diffusion coefficient; thus, the length scale becomes large, and the reacting flow is particularly amenable to diagnostic probing, as the diffusion-flame limit is approached. The disruption of planar symmetry is owing the fact that, as the strain rate a decreases, the residence time (l/a) of the throughput in the counterflow burner increases. Observationally, when the residence time exceeds about 50 msec, the inevitably present convective (Rayleigh-Benard) instabilities, associated with hot-under-cold (flame-under-fresh-reactant) stratification of fluid in a gravitational field, have time to grow to finite amplitude during transit of the burner.

Estimating Systemic Exposure to Levonorgestrel from an Oral Contraceptive

PubMed Central

Basaraba, Cale N; Westhoff, Carolyn L; Pike, Malcolm C; Nandakumar, Renu; Cremers, Serge

2017-01-01

Objective The gold standard for measuring oral contraceptive (OC) pharmacokinetics is the 24-hour steady-state area-under-the-curve (AUC). We conducted this study to assess whether limited sampling at steady state or measurements following use of one or two OCs could provide an adequate proxy in epidemiological studies for the progestin 24-hour steady-state AUC of a particular OC. Study Design We conducted a 13-sample, 24-hour pharmacokinetic study on both day 1 and day 21 of the first cycle of a monophasic OC containing 30 μg ethinyl estradiol and 150 μg levonorgestrel (LNG) in 17 normal-weight healthy white women, and a single-dose 9-sample study of the same OC after a one-month washout. We compared the 13-sample steady-state results with several steady-state and single-dose results calculated using parsimonious sampling schemes. Results The 13-sample steady-state 24-hour LNG AUC was highly correlated with the steady-state 24-hour trough value (r = 0.95; 95% CI [0.85, 0.98]) and with the steady-state 6, 8, 12 and 16-hour values (0.92 ≤ r ≤ 0.95). The trough values after one or two doses were moderately correlated with the steady-state 24-hour AUC value (r = 0.70; 95% CI [0.27, 0.90] and 0.77; 95% CI [0.40, 0.92], respectively). Conclusions Single time-point concentrations at steady-state and after administration of one or two OCs gave highly to moderately correlated estimates of steady-state LNG AUC. Using such measures could facilitate prospective pharmaco-epidemiologic studies of the OC and its side effects. PMID:28041990

Inhomogeneous Oxygen Vacancy Distribution in Semiconductor Gas Sensors: Formation, Migration and Determination on Gas Sensing Characteristics

PubMed Central

Liu, Jianqiao; Gao, Yinglin; Wu, Xu; Jin, Guohua; Zhai, Zhaoxia; Liu, Huan

2017-01-01

The density of oxygen vacancies in semiconductor gas sensors was often assumed to be identical throughout the grain in the numerical discussion of the gas-sensing mechanism of the devices. In contrast, the actual devices had grains with inhomogeneous distribution of oxygen vacancy under non-ideal conditions. This conflict between reality and discussion drove us to study the formation and migration of the oxygen defects in semiconductor grains. A model of the gradient-distributed oxygen vacancy was proposed based on the effects of cooling rate and re-annealing on semiconductive thin films. The model established the diffusion equations of oxygen vacancy according to the defect kinetics of diffusion and exclusion. We described that the steady-state and transient-state oxygen vacancy distributions, which were used to calculate the gas-sensing characteristics of the sensor resistance and response to reducing gases under two different conditions. The gradient-distributed oxygen vacancy model had the applications in simulating the sensor performances, such as the power law, the grain size effect and the effect of depletion layer width. PMID:28796167

Inhomogeneous Oxygen Vacancy Distribution in Semiconductor Gas Sensors: Formation, Migration and Determination on Gas Sensing Characteristics.

PubMed

Liu, Jianqiao; Gao, Yinglin; Wu, Xu; Jin, Guohua; Zhai, Zhaoxia; Liu, Huan

2017-08-10

The density of oxygen vacancies in semiconductor gas sensors was often assumed to be identical throughout the grain in the numerical discussion of the gas-sensing mechanism of the devices. In contrast, the actual devices had grains with inhomogeneous distribution of oxygen vacancy under non-ideal conditions. This conflict between reality and discussion drove us to study the formation and migration of the oxygen defects in semiconductor grains. A model of the gradient-distributed oxygen vacancy was proposed based on the effects of cooling rate and re-annealing on semiconductive thin films. The model established the diffusion equations of oxygen vacancy according to the defect kinetics of diffusion and exclusion. We described that the steady-state and transient-state oxygen vacancy distributions, which were used to calculate the gas-sensing characteristics of the sensor resistance and response to reducing gases under two different conditions. The gradient-distributed oxygen vacancy model had the applications in simulating the sensor performances, such as the power law, the grain size effect and the effect of depletion layer width.

A Numerical Method for the Simulation of Skew Brownian Motion and its Application to Diffusive Shock Acceleration of Charged Particles

NASA Astrophysics Data System (ADS)

McEvoy, Erica L.

Stochastic differential equations are becoming a popular tool for modeling the transport and acceleration of cosmic rays in the heliosphere. In diffusive shock acceleration, cosmic rays diffuse across a region of discontinuity where the up- stream diffusion coefficient abruptly changes to the downstream value. Because the method of stochastic integration has not yet been developed to handle these types of discontinuities, I utilize methods and ideas from probability theory to develop a conceptual framework for the treatment of such discontinuities. Using this framework, I then produce some simple numerical algorithms that allow one to incorporate and simulate a variety of discontinuities (or boundary conditions) using stochastic integration. These algorithms were then modified to create a new algorithm which incorporates the discontinuous change in diffusion coefficient found in shock acceleration (known as Skew Brownian Motion). The originality of this algorithm lies in the fact that it is the first of its kind to be statistically exact, so that one obtains accuracy without the use of approximations (other than the machine precision error). I then apply this algorithm to model the problem of diffusive shock acceleration, modifying it to incorporate the additional effect of the discontinuous flow speed profile found at the shock. A steady-state solution is obtained that accurately simulates this phenomenon. This result represents a significant improvement over previous approximation algorithms, and will be useful for the simulation of discontinuous diffusion processes in other fields, such as biology and finance.

Mesoscale modeling of vacancy-mediated Si segregation near an edge dislocation in Ni under irradiation

NASA Astrophysics Data System (ADS)

Li, Zebo; Trinkle, Dallas R.

2017-04-01

We use a continuum method informed by transport coefficients computed using self-consistent mean field theory to model vacancy-mediated diffusion of substitutional Si solutes in FCC Ni near an a/2 [1 1 ¯0 ] (111 ) edge dislocation. We perform two sequential simulations: first under equilibrium boundary conditions and then under irradiation. The strain field around the dislocation induces heterogeneity and anisotropy in the defect transport properties and determines the steady-state vacancy and Si distributions. At equilibrium both vacancies and Si solutes diffuse to form Cottrell atmospheres with vacancies accumulating in the compressive region above the dislocation core while Si segregates to the tensile region below the core. Irradiation raises the bulk vacancy concentration, driving vacancies to flow into the dislocation core. The out-of-equilibrium vacancy fluxes drag Si atoms towards the core, causing segregation to the compressive region, despite Si being an oversized solute in Ni.

A Gibbs point field model for the spatial pattern of coronary capillaries

NASA Astrophysics Data System (ADS)

Karch, R.; Neumann, M.; Neumann, F.; Ullrich, R.; Neumüller, J.; Schreiner, W.

2006-09-01

We propose a Gibbs point field model for the pattern of coronary capillaries in transverse histologic sections from human hearts, based on the physiology of oxygen supply from capillaries to tissue. To specify the potential energy function of the Gibbs point field, we draw on an analogy between the equation of steady-state oxygen diffusion from an array of parallel capillaries to the surrounding tissue and Poisson's equation for the electrostatic potential of a two-dimensional distribution of identical point charges. The influence of factors other than diffusion is treated as a thermal disturbance. On this basis, we arrive at the well-known two-dimensional one-component plasma, a system of identical point charges exhibiting a weak (logarithmic) repulsive interaction that is completely characterized by a single dimensionless parameter. By variation of this parameter, the model is able to reproduce many characteristics of real capillary patterns.

Mathematical model for the Bridgman-Stockbarger crystal growing system

NASA Technical Reports Server (NTRS)

Roberts, G. O.

1986-01-01

In a major technical breakthrough, a computer model for Bridgman-Stockbarger crystal growth was developed. The model includes melt convection, solute effects, thermal conduction in the ampule, melt, and crystal, and the determination of the curved moving crystal-melt interface. The key to the numerical method is the use of a nonuniform computational mesh which moves with the interface, so that the interface is a mesh surface. In addition, implicit methods are used for advection and diffusion of heat, concentration, and vorticity, for interface movement, and for internal gracity waves. This allows large time-steps without loss of stability or accuracy. Numerical results are presented for the interface shape, temperature distribution, and concentration distribution, in steady-state crystl growth. Solutions are presented for two test cases using water, with two different salts in solution. The two diffusivities differ by a factor of ten, and the concentrations differ by a factor of twenty.

Purfication kinetics of beryllium during vacuum induction melting

NASA Technical Reports Server (NTRS)

Mukherjee, J. L.; Gupta, K. P.; Li, C. H.

1972-01-01

The kinetics of evaporation in binary alloys were quantitatively treated. The formalism so developed works well for several systems studied. The kinetics of purification of beryllium was studied through evaporation data actually acquired during vacuum induction melting. Normal evaporation equations are shown to be generally valid and useful for understanding the kinetics of beryllium purification. The normal evaporation analysis has been extended to cover cases of limited liquid diffusion. It was shown that under steady-state evaporation, the solute concentration near the surface may be up to six orders of magnitude different from the bulk concentration. Corrections for limited liquid diffusion are definitely needed for the highly evaporative solute elements, such as Zn, Mg, and Na, for which the computed evaporation times are improved by five orders of magnitude. The commonly observed logarithmic relation between evaporation time and final concentration further supports the validity of the normal evaporation equations.

A Reconstruction Approach to High-Order Schemes Including Discontinuous Galerkin for Diffusion

NASA Technical Reports Server (NTRS)

Huynh, H. T.

2009-01-01

We introduce a new approach to high-order accuracy for the numerical solution of diffusion problems by solving the equations in differential form using a reconstruction technique. The approach has the advantages of simplicity and economy. It results in several new high-order methods including a simplified version of discontinuous Galerkin (DG). It also leads to new definitions of common value and common gradient quantities at each interface shared by the two adjacent cells. In addition, the new approach clarifies the relations among the various choices of new and existing common quantities. Fourier stability and accuracy analyses are carried out for the resulting schemes. Extensions to the case of quadrilateral meshes are obtained via tensor products. For the two-point boundary value problem (steady state), it is shown that these schemes, which include most popular DG methods, yield exact common interface quantities as well as exact cell average solutions for nearly all cases.

Characterization of flow disturbances in a coal fired combustion flow train

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

Winkleman, B.C.; Giel, T.V.; Lineberry, J.T.

1990-01-01

Audible rumbles are known to accompany operation of the CFFF low mass flow train and visual/aural observations indicate simultaneous dropouts in the diffuser light emission. Three hypotheses, coal flow disturbances, combustion instabilities, and slag entrainment into the flow, are presented as possible causes of the rumbles. Wideband instrumentation including line reversals, luminosities, and dynamic pressures were used to investigate the rumble phenomena. The observational evidence implies that briefly before the rumble sound, the vitation heater pressure rises and a cold opaque structure moves from upstream to downstream through the aerodynamic duct, diffuser, and radiant furnace. Steady state thermodynamic analysis ofmore » the flow train at conditions corresponding to measured rumble phenomena are presented. It is concluded that a dispersed structure of slag particles entrained from the combustor is the most viable hypothesis. 8 refs., 23 figs., 2 tabs.« less

Adsorptive Water Removal from Dichloromethane and Vapor-Phase Regeneration of a Molecular Sieve 3A Packed Bed

PubMed Central

2017-01-01

The drying of dichloromethane with a molecular sieve 3A packed bed process is modeled and experimentally verified. In the process, the dichloromethane is dried in the liquid phase and the adsorbent is regenerated by water desorption with dried dichloromethane product in the vapor phase. Adsorption equilibrium experiments show that dichloromethane does not compete with water adsorption, because of size exclusion; the pure water vapor isotherm from literature provides an accurate representation of the experiments. The breakthrough curves are adequately described by a mathematical model that includes external mass transfer, pore diffusion, and surface diffusion. During the desorption step, the main heat transfer mechanism is the condensation of the superheated dichloromethane vapor. The regeneration time is shortened significantly by external bed heating. Cyclic steady-state experiments demonstrate the feasibility of this novel, zero-emission drying process. PMID:28539701

Determining the inertial states of low Prandtl number fluids using electrochemical cells

NASA Astrophysics Data System (ADS)

Crunkleton, Daniel Wray

The quality of crystals grown from the melt is often deteriorated by the presence of buoyancy-induced convection, produced by temperature or concentration inhomogenities. It is, therefore, important to develop techniques to visualize such flows. In this study, a novel technique is developed that uses solid-state electrochemical cells to establish and measure dissolved oxygen boundary conditions. To visualize convection, a packet of oxygen is electrochemically introduced at a specific location in the melt. As the fluid convects, this oxygen packet follows the flow, acting as a tracer. Electrochemical sensors located along the enclosure then detect the oxygen as it passes. Over sufficiently long times, oxygen diffusion is important; consequently, the oxygen diffusivity in the fluid is measured. This diffusivity is determined using both transient and steady state experiments with tin and tin-lead alloys as model fluids. It is concluded that the presence of convection due to solutal gradients and/or tilt increases the measured diffusivity by one-half to one order of magnitude. The oxygen diffusivity in tin-lead alloys is measured and the results show that the alloy diffusivities are lower than those of the corresponding pure metals. This concentration functionality is explained with a multicomponent diffusion model and shows good agreement. Rayleigh-Benard convection was used to validate the electrochemical approach to flow visualization. Thus, a numerical characterization of the second critical Rayleigh numbers in liquid tin was conducted for a variety of Cartesian aspect ratios. The extremely low Prandtl number of tin represents the lowest value studied numerically. Additionally, flow field oscillations are visualized and the effect of tilt on convecting systems is quantified. Finally, experimental studies of the effect of convection in liquid tin are presented. Three geometries are studied: (1) double cell with vertical concentration gradients; (2) double cell with horizontal concentration gradients; and (3) multiple cell with vertical temperature gradients. The first critical Rayleigh number transition is detected with geometry (1) and it is concluded that current measurements are not as affected by convection as EMF measurements. The system is compared with numerical simulations in geometry (2), and oscillating convection is detected with geometry (3).

Local and Global Bifurcations of Flow Fields During Physical Vapor Transport: Application to a Microgravity Experiment

NASA Technical Reports Server (NTRS)

Duval, W. M. B.; Singh, N. B.; Glicksman, M. E.

1996-01-01

The local bifurcation of the flow field, during physical vapor transport for a parametric range of experimental interest, shows that its dynamical state ranges from steady to aperiodic. Comparison of computationally predicted velocity profiles with laser doppler velocimetry measurements shows reasonable agreement in both magnitude and planform. Correlation of experimentally measured crystal quality with the predicted dynamical state of the flow field shows a degradation of quality with an increase in Rayleigh number. The global bifurcation of the flow field corresponding to low crystal quality indicates the presence of a traveling wave for Ra = 1.09 x 10(exp 5). For this Rayleigh number threshold a chaotic transport state occurs. However, a microgravity environment for this case effectively stabilizes the flow to diffusive-advective and provides the setting to grow crystals with optimal quality.

Crystallization tendencies of modelled Lennard-Jones liquids with different attractions

NASA Astrophysics Data System (ADS)

Valdès, L.-C.; Gerges, J.; Mizuguchi, T.; Affouard, F.

2018-01-01

Molecular dynamics simulations are performed on simple models composed of monoatomic Lennard-Jones atoms for which the repulsive interaction is the same but the attractive part is tuned. We investigate the precise role of the attractive part of the interaction potential on different structural, dynamical, and thermodynamical properties of these systems in the liquid and crystalline states. It includes crystallization trends for which the main physical ingredients involved have been computed: the diffusion coefficient, the Gibbs energy difference between the liquid and the crystalline state, and the crystal-liquid interfacial free energy. Results are compared with predictions from the classical nucleation theory including transient and steady-state regimes at moderate and deeper undercooling. The question of the energetic and entropic impact of the repulsive and attractive part of the interaction potential towards crystallization is also addressed.

The high-βN hybrid scenario for ITER and FNSF steady-state missions

DOE PAGES

Turco, Francesca; Petty, Clinton C.; Luce, Timothy C.; ...

2015-05-15

New experiments on DIII-D have demonstrated the steady-state potential of the hybrid scenario, with 1 MA of plasma current driven fully non-inductively and βN up to 3.7 sustained for ~3 s (~1.5 current diffusion time, τ R, in DIII-D), providing the basis for an attractive option for steady-state operation in ITER and FNSF. Excellent confinement is achieved (H 98y2~1.6) without performance limiting tearing modes. Furthermore, the hybrid regime overcomes the need for off-axis current drive efficiency, taking advantage of poloidal magnetic flux pumping that is believed to be the result of a saturated 3/2 tearing mode. This allows for efficientmore » current drive close to the axis, without deleterious sawtooth instabilities. In these experiments, the edge surface loop voltage is driven down to zero for >1 τ R when the poloidal β is increased above 1.9 at a plasma current of 1.0 MA and the ECH power is increased to 3.2 MW. Stationary operation of hybrid plasmas with all on-axis current drive is sustained at pressures slightly above the ideal no-wall limit, while the calculated ideal with-wall MHD limit is β N~4-4.5. Off-axis NBI power has been used to broaden the pressure and current profiles in this scenario, seeking to take advantage of higher predicted kink stability limits and lower values of the tearing stability index Δ', as calculated by the DCON and PEST3 codes. Our results are based on measured profiles that predict ideal limits at βN>4.5, 10% higher than the cases with on-axis NBI. A 0-D model, based on the present confinement, βN and shape values of the DIII-D hybrid scenario, shows that these plasmas are consistent with the ITER 9 MA, Q=5 mission and the FNSF 6.7 MA scenario with Q=3.5. With collisionality and edge safety factor values comparable to those envisioned for ITER and FNSF, the high-βN hybrid represents an attractive high performance option for the steady-state missions of these devices.« less

Episodic fluid flow in the Nankai accretionary complex: Timescale, geochemistry, flow rates, and fluid budget

USGS Publications Warehouse

Saffer, D.M.; Bekins, B.A.

1998-01-01

Down-hole geochemical anomalies encountered in active accretionary systems can be used to constrain the timing, rates, and localization of fluid flow. Here we combine a coupled flow and solute transport model with a kinetic model for smectite dehydration to better understand and quantify fluid flow in the Nankai accretionary complex offshore of Japan. Compaction of sediments and clay dehydration provide fluid sources which drive the model flow system. We explicitly include the consolidation rate of underthrust sediments in our calculations to evaluate the impact that variations in this unknown quantity have on pressure and chloride distribution. Sensitivity analysis of steady state pressure solutions constrains bulk and flow conduit permeabilities. Steady state simulations with 30% smectite in the incoming sedimentary sequence result in minimum chloride concentrations at site 808 of 550 mM, but measured chlorinity is as low as 447 mM. We simulate the transient effects of hydrofracture or a strain event by assuming an instantaneous permeability increase of 3-4 orders of magnitude along a flow conduit (in this case the de??collement), using steady state results as initial conditions. Transient results with an increase in de??collement permeability from 10-16 m2 to 10-13 m2 and 20% smectite reproduce the observed chloride profile at site 808 after 80-160 kyr. Modeled chloride concentrations are highly sensitive to the consolidation rate of underthrust sediments, such that rapid compaction of underthrust material leads to increased freshening. Pressures within the de??collement during transient simulations rise rapidly to a significant fraction of lithostatic and remain high for at least 160 kyr, providing a mechanism for maintaining high permeability. Flow rates at the deformation front for transient simulations are in good agreement with direct measurements, but steady state flow rates are 2-3 orders of magnitude smaller than observed. Fluid budget calculations indicate that nearly 71% of the incoming water in the sediments leaves the accretionary wedge via diffuse flow out the seafloor, 0-5% escapes by focused flow along the de??collement, and roughly 1% is subducted. Copyright 1998 by the American Geophysical Union.

Multimode optical fibers: steady state mode exciter.

PubMed

Ikeda, M; Sugimura, A; Ikegami, T

1976-09-01

The steady state mode power distribution of the multimode graded index fiber was measured. A simple and effective steady state mode exciter was fabricated by an etching technique. Its insertion loss was 0.5 dB for an injection laser. Deviation in transmission characteristics of multimode graded index fibers can be avoided by using the steady state mode exciter.

Multispecies diffusion models: A study of uranyl species diffusion

NASA Astrophysics Data System (ADS)

Liu, Chongxuan; Shang, Jianying; Zachara, John M.

2011-12-01

Rigorous numerical description of multispecies diffusion requires coupling of species, charge, and aqueous and surface complexation reactions that collectively affect diffusive fluxes. The applicability of a fully coupled diffusion model is, however, often constrained by the availability of species self-diffusion coefficients, as well as by computational complication in imposing charge conservation. In this study, several diffusion models with variable complexity in charge and species coupling were formulated and compared to describe reactive multispecies diffusion in groundwater. Diffusion of uranyl [U(VI)] species was used as an example in demonstrating the effectiveness of the models in describing multispecies diffusion. Numerical simulations found that a diffusion model with a single, common diffusion coefficient for all species was sufficient to describe multispecies U(VI) diffusion under a steady state condition of major chemical composition, but not under transient chemical conditions. Simulations revealed that for multispecies U(VI) diffusion under transient chemical conditions, a fully coupled diffusion model could be well approximated by a component-based diffusion model when the diffusion coefficient for each chemical component was properly selected. The component-based diffusion model considers the difference in diffusion coefficients between chemical components, but not between the species within each chemical component. This treatment significantly enhanced computational efficiency at the expense of minor charge conservation. The charge balance in the component-based diffusion model can be enforced, if necessary, by adding a secondary migration term resulting from model simplification. The effect of ion activity coefficient gradients on multispecies diffusion is also discussed. The diffusion models were applied to describe U(VI) diffusive mass transfer in intragranular domains in two sediments collected from U.S. Department of Energy's Hanford 300A, where intragranular diffusion is a rate-limiting process controlling U(VI) adsorption and desorption. The grain-scale reactive diffusion model was able to describe U(VI) adsorption/desorption kinetics that had been previously described using a semiempirical, multirate model. Compared with the multirate model, the diffusion models have the advantage to provide spatiotemporal speciation evolution within the diffusion domains.

Model for diffuse interstellar clouds: improvements to the theory of molecular hydrogen photodestruction and to the gas phase chemistry of carbon monoxide

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

Federman, S.R.

1979-01-01

A theoretical model has been developed to determine physical processes in conjunction with astrophysical observation. The calculations are based on isobaric, steady-state, plane-parallel conditions. In the model, the cloud is illuminated by ultraviolet radiation from one side. The density and temperature of the gas are derived by invoking energy conservation in terms of thermal balance. The derived values for density and temperature then are used to determine the abundances of approximately fifty atomic and molecular species, including important ionic species and simple carbon and oxygen bearing molecules. Except for molecular hydrogen formation on dust grains, binary gas phase reactions aremore » used to develop the chemistry of the model cloud. The theoretical model has been found to be appropriate for a particular range of physical parameters. The results of the steady-state calculations have been compared to ultraviolet observations, predominantly those made with the Copernicus satellite. The theory of molecular hydrogen photodestruction has been reexamined so that improvements to the model can be made. By analyzing the region where the atomic to molecuar hydrogen transition occurs, several processes have been found to contribute to dissociation.« less

Steady state model for the thermal regimes of shells of airships and hot air balloons

NASA Astrophysics Data System (ADS)

Luchev, Oleg A.

1992-10-01

A steady state model of the temperature regime of airships and hot air balloons shells is developed. The model includes three governing equations: the equation of the temperature field of airships or balloons shell, the integral equation for the radiative fluxes on the internal surface of the shell, and the integral equation for the natural convective heat exchange between the shell and the internal gas. In the model the following radiative fluxes on the shell external surface are considered: the direct and the earth reflected solar radiation, the diffuse solar radiation, the infrared radiation of the earth surface and that of the atmosphere. For the calculations of the infrared external radiation the model of the plane layer of the atmosphere is used. The convective heat transfer on the external surface of the shell is considered for the cases of the forced and the natural convection. To solve the mentioned set of the equations the numerical iterative procedure is developed. The model and the numerical procedure are used for the simulation study of the temperature fields of an airship shell under the forced and the natural convective heat transfer.

Singular perturbation analysis of the steady-state Poisson–Nernst–Planck system: Applications to ion channels

PubMed Central

SINGER, A.; GILLESPIE, D.; NORBURY, J.; EISENBERG, R. S.

2009-01-01

Ion channels are proteins with a narrow hole down their middle that control a wide range of biological function by controlling the flow of spherical ions from one macroscopic region to another. Ion channels do not change their conformation on the biological time scale once they are open, so they can be described by a combination of Poisson and drift-diffusion (Nernst–Planck) equations called PNP in biophysics. We use singular perturbation techniques to analyse the steady-state PNP system for a channel with a general geometry and a piecewise constant permanent charge profile. We construct an outer solution for the case of a constant permanent charge density in three dimensions that is also a valid solution of the one-dimensional system. The asymptotical current–voltage (I–V ) characteristic curve of the device (obtained by the singular perturbation analysis) is shown to be a very good approximation of the numerical I–V curve (obtained by solving the system numerically). The physical constraint of non-negative concentrations implies a unique solution, i.e., for each given applied potential there corresponds a unique electric current (relaxing this constraint yields non-physical multiple solutions for sufficiently large voltages). PMID:19809600

Implementing a conceptual model of physical and chemical soil profile evolution

NASA Astrophysics Data System (ADS)

Kirkby, Mike

2017-04-01

When soil profile composition is generalised in terms of the proportion, p, of bedrock remaining (= 1 - depletion ratio), then other soil processes can also be expressed in terms of p, and 'soil depth' described by the integral of (1-p) down to bedrock. Soil profile evolution is expressed as the advance of a sigmoidal weathering front into the critical zone under the action of upward ionic diffusion of weathering products; downward advection of solutes in percolating waters, with loss of (cleanish) water as evapotranspiration and (solute-laden) water as a lateral sub-surface flow increment; and mechanical denudation increment at the surface. Each component responds to the degree of weathering. Percolation is limited by precipitation, evapotranspiration demand and the degree of weathering at each level in the profile which diverts subsurface flow. Mechanical removal rates are considered to broadly increase as weathering proceeds, as grain size and dilation angle decreases. The implication of these assumptions can be examined for steady state profiles, for which observed relationships between mechanical and chemical denudation rates; and between chemical denudation and critical zone depth are reproduced. For non-steady state evolution, these relationships break down, but provide a basis for linking critical zone with hillslope/ landform evolution.

Coarsening in Solid-liquid Mixtures: Overview of Experiments on Shuttle and ISS

NASA Technical Reports Server (NTRS)

Duval, Walter M. B.; Hawersaat, Robert W.; Lorik, T.; Thompson, J.; Gulsoy, B.; Voorhees, P. W.

2013-01-01

The microgravity environment on the Shuttle and the International Space Station (ISS) provides the ideal condition to perform experiments on Coarsening in Solid-Liquid Mixtures (CSLM) as deleterious effects such as particle sedimentation and buoyancy-induced convection are suppressed. For an ideal system such as Lead-Tin in which all the thermophysical properties are known, the initial condition in microgravity of randomly dispersed particles with local clustering of solid Tin in eutectic liquid Lead-Tin matrix, permitted kinetic studies of competitive particle growth for a range of volume fractions. Verification that the quenching phase of the experiment had negligible effect of the spatial distribution of particles is shown through the computational solution of the dynamical equations of motion, thus insuring quench-free effects from the coarsened microstructure measurements. The low volume fraction experiments conducted on the Shuttle showed agreement with transient Ostwald ripening theory, and the steady-state requirement of LSW theory was not achieved. More recent experiments conducted on ISS with higher volume fractions have achieved steady-state condition and show that the kinetics follows the classical diffusion limited particle coarsening prediction and the measured 3D particle size distribution becomes broader as predicted from theory.

Drug Loading Capacity of Environmentally Sensitive Polymeric Microgels

NASA Astrophysics Data System (ADS)

McDonough, Ryan; Streletzky, Kiril; Bayachou, Mekki; Peiris, Pubudu

2009-10-01

Microgel nanoparticles consisting of cross-linked polymer hydroxypropyl cellulose chains have a temperature dependent volume phase transition, prompting the use of microgels for controlled drug transport. Drug particles aggregate in the slightly hydrophobic interior of microgels. Microgels are stored in equilibrium until the critical temperature (Tv) is reached and the volume phase transition limits available space, thus expelling the drugs. Our study was designed to test this property of microgels using amperometric electrochemical methods. A critical assumption was that small molecules inside microgels would not interact via diffusion with the electrode surface and thus total current would be decreased across the electrodes in a microgel sample. A room temperature (Troom) flow amperometric measurement comparing microgel/tylenol solution with control tylenol samples yielded about 20% tylenol concentration reduction of the microgel sample. Results from the steady state electrochemical experiment confirm the presence of about 20% tylenol concentration drop of the microgel sample compared to control sample at Troom. Using the steady-state experiment with a cyclic temperature ramp from Troom to beyond Tv showed that the tylenol concentration change between the temperature extremes was greater for the microgel solution than for the control solution.

Island dynamics and anisotropy during vapor phase epitaxy of m-plane GaN

DOE PAGES

Perret, Edith; Xu, Dongwei; Highland, M. J.; ...

2017-12-04

Using in situ grazing-incidence x-ray scattering, we have measured the diffuse scattering from islands that form during layer-by-layer growth of GaN by metal-organic vapor phase epitaxy on the (10more » $$\\bar{1}$$0) m-plane surface. The diffuse scattering is extended in the (0001) in-plane direction in reciprocal space, indicating a strong anisotropy with islands elongated along [1$$\\bar{2}$$10] and closely spaced along [0001]. This is confirmed by atomic force microscopy of a quenched sample. Islands were characterized as a function of growth rate F and temperature. Furthermore, the island spacing along [0001] observed during the growth of the first monolayer obeys a power-law dependence on growth rate F -n, with an exponent n=0.25±0.02. Our results are in agreement with recent kinetic Monte Carlo simulations, indicating that elongated islands result from the dominant anisotropy in step edge energy and not from surface diffusion anisotropy. The observed power-law exponent can be explained using a simple steady-state model, which gives n = 1/4.« less

Calculation of two-dimension radial electric field in boundary plasmas by using BOUT++

NASA Astrophysics Data System (ADS)

Li, N. M.; Xu, X. Q.; Rognlien, T. D.; Gui, B.; Sun, J. Z.; Wang, D. Z.

2018-07-01

The steady state radial electric field (Er) is calculated by coupling a plasma transport model with the quasi-neutrality constraint and the vorticity equation within the BOUT++ framework. Based on the experimentally measured plasma density and temperature profiles in Alcator C-Mod discharges, the effective radial particle and heat diffusivities are inferred from the set of plasma transport equations. The effective diffusivities are then extended into the scrape-off layer (SOL) to calculate the plasma density, temperature and flow profiles across the separatrix into the SOL with the electrostatic sheath boundary conditions (SBC) applied on the divertor plates. Given these diffusivities, the electric field can be calculated self-consistently across the separatrix from the vorticity equation with SBC coupled to the plasma transport equations. The sheath boundary conditions act to generate a large and positive Er in the SOL, which is consistent with experimental measurements. The effect of magnetic particle drifts is shown to play a significant role on local particle transport and Er by inducing a net particle flow in both the edge and SOL regions.

Hybrid stochastic simulations of intracellular reaction-diffusion systems.

PubMed

Kalantzis, Georgios

2009-06-01

With the observation that stochasticity is important in biological systems, chemical kinetics have begun to receive wider interest. While the use of Monte Carlo discrete event simulations most accurately capture the variability of molecular species, they become computationally costly for complex reaction-diffusion systems with large populations of molecules. On the other hand, continuous time models are computationally efficient but they fail to capture any variability in the molecular species. In this study a hybrid stochastic approach is introduced for simulating reaction-diffusion systems. We developed an adaptive partitioning strategy in which processes with high frequency are simulated with deterministic rate-based equations, and those with low frequency using the exact stochastic algorithm of Gillespie. Therefore the stochastic behavior of cellular pathways is preserved while being able to apply it to large populations of molecules. We describe our method and demonstrate its accuracy and efficiency compared with the Gillespie algorithm for two different systems. First, a model of intracellular viral kinetics with two steady states and second, a compartmental model of the postsynaptic spine head for studying the dynamics of Ca+2 and NMDA receptors.

Modelling uncertainties in the diffusion-advection equation for radon transport in soil using interval arithmetic.

PubMed

Chakraverty, S; Sahoo, B K; Rao, T D; Karunakar, P; Sapra, B K

2018-02-01

Modelling radon transport in the earth crust is a useful tool to investigate the changes in the geo-physical processes prior to earthquake event. Radon transport is modeled generally through the deterministic advection-diffusion equation. However, in order to determine the magnitudes of parameters governing these processes from experimental measurements, it is necessary to investigate the role of uncertainties in these parameters. Present paper investigates this aspect by combining the concept of interval uncertainties in transport parameters such as soil diffusivity, advection velocity etc, occurring in the radon transport equation as applied to soil matrix. The predictions made with interval arithmetic have been compared and discussed with the results of classical deterministic model. The practical applicability of the model is demonstrated through a case study involving radon flux measurements at the soil surface with an accumulator deployed in steady-state mode. It is possible to detect the presence of very low levels of advection processes by applying uncertainty bounds on the variations in the observed concentration data in the accumulator. The results are further discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Algorithm refinement for stochastic partial differential equations: II. Correlated systems

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

Alexander, Francis J.; Garcia, Alejandro L.; Tartakovsky, Daniel M.

2005-08-10

We analyze a hybrid particle/continuum algorithm for a hydrodynamic system with long ranged correlations. Specifically, we consider the so-called train model for viscous transport in gases, which is based on a generalization of the random walk process for the diffusion of momentum. This discrete model is coupled with its continuous counterpart, given by a pair of stochastic partial differential equations. At the interface between the particle and continuum computations the coupling is by flux matching, giving exact mass and momentum conservation. This methodology is an extension of our stochastic Algorithm Refinement (AR) hybrid for simple diffusion [F. Alexander, A. Garcia,more » D. Tartakovsky, Algorithm refinement for stochastic partial differential equations: I. Linear diffusion, J. Comput. Phys. 182 (2002) 47-66]. Results from a variety of numerical experiments are presented for steady-state scenarios. In all cases the mean and variance of density and velocity are captured correctly by the stochastic hybrid algorithm. For a non-stochastic version (i.e., using only deterministic continuum fluxes) the long-range correlations of velocity fluctuations are qualitatively preserved but at reduced magnitude.« less

Island dynamics and anisotropy during vapor phase epitaxy of m-plane GaN

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

Perret, Edith; Xu, Dongwei; Highland, M. J.

Using in situ grazing-incidence x-ray scattering, we have measured the diffuse scattering from islands that form during layer-by-layer growth of GaN by metal-organic vapor phase epitaxy on the (1010) m-plane surface. The diffuse scattering is extended in the (0001) in-plane direction in reciprocal space, indicating a strong anisotropy with islands elongated along [1210] and closely spaced along [0001]. This is confirmed by atomic force microscopy of a quenched sample. Islands were characterized as a function of growth rate F and temperature. The island spacing along [0001] observed during the growth of the first monolayer obeys a power-law dependence on growthmore » rate F-n, with an exponent n = 0:25 + 0.02. The results are in agreement with recent kinetic Monte Carlo simulations, indicating that elongated islands result from the dominant anisotropy in step edge energy and not from surface diffusion anisotropy. The observed power-law exponent can be explained using a simple steady-state model, which gives n = 1/4.« less

Island dynamics and anisotropy during vapor phase epitaxy of m-plane GaN

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

Perret, Edith; Xu, Dongwei; Highland, M. J.

Using in situ grazing-incidence x-ray scattering, we have measured the diffuse scattering from islands that form during layer-by-layer growth of GaN by metal-organic vapor phase epitaxy on the (10more » $$\\bar{1}$$0) m-plane surface. The diffuse scattering is extended in the (0001) in-plane direction in reciprocal space, indicating a strong anisotropy with islands elongated along [1$$\\bar{2}$$10] and closely spaced along [0001]. This is confirmed by atomic force microscopy of a quenched sample. Islands were characterized as a function of growth rate F and temperature. Furthermore, the island spacing along [0001] observed during the growth of the first monolayer obeys a power-law dependence on growth rate F -n, with an exponent n=0.25±0.02. Our results are in agreement with recent kinetic Monte Carlo simulations, indicating that elongated islands result from the dominant anisotropy in step edge energy and not from surface diffusion anisotropy. The observed power-law exponent can be explained using a simple steady-state model, which gives n = 1/4.« less

Unsteady Oxygen Transfer in Space-Filling Models of the Pulmonary Acinus

NASA Astrophysics Data System (ADS)

Hofemeier, Philipp; Shachar-Berman, Lihi; Filoche, Marcel; Sznitman, Josue

2014-11-01

Diffusional screening in the pulmonary acinus is a well-known physical phenomenon that results from the depletion of fresh oxygen in proximal acinar generations diffusing through the alveolar wall membranes and effectively creating a gradient in the oxygen partial pressure along the acinar airways. Until present, most studies have focused on steady-state oxygen diffusion in generic sub-acinar structures and discarded convective oxygen transport due to low Peclet numbers in this region. Such studies, however, fall typically short in capturing the complex morphology of acinar airways as well as the oscillatory nature of convecive acinar breathing. Here, we revisit this problem and solve the convective-diffusive transport equations in breathing 3D acinar structures, underlining the significance of convective flows in proximal acinar generations as well as recirculating alveolar flow patterns. In particular, to assess diffusional screening, we monitor time-dependent efficiencies of the acinus under cyclic breathing motion. Our study emphasizes the necessity of capturing both a dynamically breathing and anatomically-realistic model of the sub-acinus to characterize unsteady oxygen transport across the acinar walls.

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

Stoddard, Ryan J.; Eickemeyer, Felix T.; Katahara, John K.

High-bandgap mixed-halide hybrid perovskites have higher open-circuit voltage deficits and lower carrier diffusion lengths than their lower-bandgap counterparts. We have developed a ligand-assisted crystallization (LAC) technique that introduces additives in situ during the solvent wash and developed a new method to dynamically measure the absolute intensity steady-state photoluminescence and the mean carrier diffusion length simultaneously. The measurements reveal four distinct regimes of material changes and show that photoluminescence brightening often coincides with losses in carrier transport, such as in degradation or phase segregation. Further, the measurements enabled optimization of LAC on the 1.75 eV bandgap FA 0.83Cs 0.17Pb(I 0.66Br 0.34)more » 3, resulting in an enhancement of the photoluminescence quantum yield (PLQY) of over an order of magnitude, an increase of 80 meV in the quasi-Fermi level splitting (to 1.29 eV), an increase in diffusion length by a factor of 3.5 (to over 1 μm), and enhanced open-circuit voltage and short-circuit current from photovoltaics fabricated from the LAC-treated films.« less

Fermi-Compton scattering due to magnetopause surface fluctuations in Jupiter's magnetospheric cavity

NASA Technical Reports Server (NTRS)

Barbosa, D. D.

1981-01-01

The effects of boundary surface fluctuations on a spectrum of electromagnetic radiation trapped in a high Q (quality) cavity are considered. Undulating walls introduce small frequency shifts at reflection to the radiation, and it is argued that the process is entirely analogous to both Fermi (particle) acceleration and inverse Compton scattering. A Fokker-Planck formalism is pursued; it yields a diffusion equation in frequency for which the Green's function and steady-state solutions are found. Applying this analysis to the Jovian continuum radiation discovered by Voyager spacecraft, it is suggested that characteristic diffusion times are greater than 1 year, and that in order to account for the steep frequency spectra observed, an unidentified loss mechanism must operate in the cavity with a decay time constant approximately equal to the characteristic diffusion time divided by 28. A radiator-reactor model of the cavity is investigated to provide an estimate for the intrinsic luminosity of the low frequency (approximately 100 Hz) continuum source whose power is approximately 7 x 10 to the 6th W.

Effects of buoyancy on gas jet diffusion flames

NASA Technical Reports Server (NTRS)

Bahadori, M. Yousef; Edelman, Raymond B.

1993-01-01

The objective of this effort was to gain a better understanding of the fundamental phenomena involved in laminar gas jet diffusion flames in the absence of buoyancy by studying the transient phenomena of ignition and flame development, (quasi-) steady-state flame characteristics, soot effects, radiation, and, if any, extinction phenomena. This involved measurements of flame size and development, as well as temperature and radiation. Additionally, flame behavior, color, and luminosity were observed and recorded. The tests quantified the effects of Reynolds number, nozzle size, fuel reactivity and type, oxygen concentration, and pressure on flame characteristics. Analytical and numerical modeling efforts were also performed. Methane and propane flames were studied in the 2.2 Second Drop Tower and the 5.18-Second Zero-Gravity Facility of NASA LeRC. In addition, a preliminary series of tests were conducted in the KC-135 research aircraft. Both micro-gravity and normal-gravity flames were studied in this program. The results have provided unique and new information on the behavior and characteristics of gas jet diffusion flames in micro-gravity environments.

Nonequilibrium two-dimensional Ising model with stationary uphill diffusion.

PubMed

Colangeli, Matteo; Giardinà, Cristian; Giberti, Claudio; Vernia, Cecilia

2018-03-01

Usually, in a nonequilibrium setting, a current brings mass from the highest density regions to the lowest density ones. Although rare, the opposite phenomenon (known as "uphill diffusion") has also been observed in multicomponent systems, where it appears as an artificial effect of the interaction among components. We show here that uphill diffusion can be a substantial effect, i.e., it may occur even in single component systems as a consequence of some external work. To this aim we consider the two-dimensional ferromagnetic Ising model in contact with two reservoirs that fix, at the left and the right boundaries, magnetizations of the same magnitude but of opposite signs.We provide numerical evidence that a class of nonequilibrium steady states exists in which, by tuning the reservoir magnetizations, the current in the system changes from "downhill" to "uphill". Moreover, we also show that, in such nonequilibrium setup, the current vanishes when the reservoir magnetization attains a value approaching, in the large volume limit, the magnetization of the equilibrium dynamics, thus establishing a relation between equilibrium and nonequilibrium properties.

Nonequilibrium two-dimensional Ising model with stationary uphill diffusion

NASA Astrophysics Data System (ADS)

Colangeli, Matteo; Giardinà, Cristian; Giberti, Claudio; Vernia, Cecilia

2018-03-01

Usually, in a nonequilibrium setting, a current brings mass from the highest density regions to the lowest density ones. Although rare, the opposite phenomenon (known as "uphill diffusion") has also been observed in multicomponent systems, where it appears as an artificial effect of the interaction among components. We show here that uphill diffusion can be a substantial effect, i.e., it may occur even in single component systems as a consequence of some external work. To this aim we consider the two-dimensional ferromagnetic Ising model in contact with two reservoirs that fix, at the left and the right boundaries, magnetizations of the same magnitude but of opposite signs.We provide numerical evidence that a class of nonequilibrium steady states exists in which, by tuning the reservoir magnetizations, the current in the system changes from "downhill" to "uphill". Moreover, we also show that, in such nonequilibrium setup, the current vanishes when the reservoir magnetization attains a value approaching, in the large volume limit, the magnetization of the equilibrium dynamics, thus establishing a relation between equilibrium and nonequilibrium properties.

Enceladus is not in Steady State

NASA Astrophysics Data System (ADS)

Cheunchitra, T.; Stevenson, D. J.

2016-12-01

Libration data tell us there is a global ocean. Topography and gravity tell us that there is substantial compensation at degree 2, meaning that the underside of the ice shell must have topography. This topography will decay, typically on a timescale of order a million years (fortuitously similar to thermal diffusion times through the ice shell), by viscous lateral flow of the ice. This could in principle be compensated in steady state by net melting beneath the poles and a compensating net freezing at the equator. In that model, the ice shell beneath the poles is partially melted with water being continuously produced and percolating to the base (or expelled if there are cracks, as at the South Pole). We have modeled this without an a priori assumption about the strength of tidal heating. We find that even if the tidal heating is zero on average around the equator, then the latent heat release from the required freezing can only be accommodated in steady state if the ice shell is 18km. The ice thickness must be even less at the poles in order to satisfy gravity and topography. Moreover, there must then be substantial tidal heating at the poles and it is physically unreasonable to have the volumetric tidal heating at the equator be enormously less than at the North Pole. For example, if the volumetric tidal heating at the equator is on average one quarter of that at the North Pole then marginal consistency with gravity and topography may be possible for a mean ice thickness at the equator of 12km. The global heat flow may exceed 40GW, much higher than the detectable IR excess (the observed south polar tiger stripe heat flow). Recent work (Fuller et al.) admits orbital evolutions with large heat flow at least for a recent part of the orbital history. However, this thin shell steady state model has difficulty reconciling observed gravity and topography as well as the libration data. We conclude that it is unlikely that Enceladus has no net melting or freezing. The ice shell can be thicker on average if there is net freezing at present but in that case it is difficult to explain the observed topography and gravity. A more likely scenario is that Enceladus has more melting beneath the poles than the current freezing (if any) beneath the equator. In that non-steady state model, the current ice thickness can be compatible with all current data.

Diffusion properties of conventional and calcium-sensitive MRI contrast agents in the rat cerebral cortex.

PubMed

Hagberg, Gisela E; Mamedov, Ilgar; Power, Anthony; Beyerlein, Michael; Merkle, Hellmut; Kiselev, Valerij G; Dhingra, Kirti; Kubìček, Vojtĕch; Angelovski, Goran; Logothetis, Nikos K

2014-01-01

Calcium-sensitive MRI contrast agents can only yield quantitative results if the agent concentration in the tissue is known. The agent concentration could be determined by diffusion modeling, if relevant parameters were available. We have established an MRI-based method capable of determining diffusion properties of conventional and calcium-sensitive agents. Simulations and experiments demonstrate that the method is applicable both for conventional contrast agents with a fixed relaxivity value and for calcium-sensitive contrast agents. The full pharmacokinetic time-course of gadolinium concentration estimates was observed by MRI before, during and after intracerebral administration of the agent, and the effective diffusion coefficient D* was determined by voxel-wise fitting of the solution to the diffusion equation. The method yielded whole brain coverage with a high spatial and temporal sampling. The use of two types of MRI sequences for sampling of the diffusion time courses was investigated: Look-Locker-based quantitative T(1) mapping, and T(1) -weighted MRI. The observation times of the proposed MRI method is long (up to 20 h) and consequently the diffusion distances covered are also long (2-4 mm). Despite this difference, the D* values in vivo were in agreement with previous findings using optical measurement techniques, based on observation times of a few minutes. The effective diffusion coefficient determined for the calcium-sensitive contrast agents may be used to determine local tissue concentrations and to design infusion protocols that maintain the agent concentration at a steady state, thereby enabling quantitative sensing of the local calcium concentration. Copyright © 2014 John Wiley & Sons, Ltd.

Illustrating the Steady-State Condition and the Single-Molecule Kinetic Method with the NMDA Receptor

ERIC Educational Resources Information Center

Kosman, Daniel J.

2009-01-01

The steady-state is a fundamental aspect of biochemical pathways in cells; indeed, the concept of steady-state is a definition of life itself. In a simple enzyme kinetic scheme, the steady-state condition is easy to define analytically but experimentally often difficult to capture because of its evanescent quality; the initial, constant velocity…

Combustion Characteristics in a Non-Premixed Cool-Flame Regime of n-Heptane in Microgravity

NASA Technical Reports Server (NTRS)

Takahashi, Fumiaki; Katta, Viswanath R.; Hicks, Michael C.

2015-01-01

A series of distinct phenomena have recently been observed in single-fuel-droplet combustion tests performed on the International Space Station (ISS). This study attempts to simulate the observed flame behavior numerically using a gaseous n-heptane fuel source in zero gravity and a time-dependent axisymmetric (2D) code, which includes a detailed reaction mechanism (127 species and 1130 reactions), diffusive transport, and a radiation model (for CH4, CO, CO2, H2O, and soot). The calculated combustion characteristics depend strongly on the air velocity around the fuel source. In a near-quiescent air environment (< or = 2 mm/s), with a sufficiently large fuel injection velocity (1 cm/s), a growing spherical diffusion flame extinguishes at ˜1200 K due to radiative heat losses. This is typically followed by a transition to the low-temperature (cool-flame) regime with a reaction zone (at ˜700 K) in close proximity to the fuel source. The 'cool flame' regime is formed due to the negative temperature coefficient in the low-temperature chemistry. After a relatively long period (˜18 s) of the cool flame regime, a flash re-ignition occurs, associated with flame-edge propagation and subsequent extinction of the re-ignited flame. In a low-speed (˜3 mm/s) airstream (which simulates the slight droplet movement), the diffusion flame is enhanced upstream and experiences a local extinction downstream at ˜1200 K, followed by steady flame pulsations (˜0.4 Hz). At higher air velocities (4-10 mm/s), the locally extinguished flame becomes steady state. The present axisymmetric computational approach helps in revealing the non-premixed 'cool flame' structure and 2D flame-flow interactions observed in recent microgravity droplet combustion experiments.

Finite-volume scheme for anisotropic diffusion

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

Es, Bram van, E-mail: bramiozo@gmail.com; FOM Institute DIFFER, Dutch Institute for Fundamental Energy Research, The Netherlands"1; Koren, Barry

In this paper, we apply a special finite-volume scheme, limited to smooth temperature distributions and Cartesian grids, to test the importance of connectivity of the finite volumes. The area of application is nuclear fusion plasma with field line aligned temperature gradients and extreme anisotropy. We apply the scheme to the anisotropic heat-conduction equation, and compare its results with those of existing finite-volume schemes for anisotropic diffusion. Also, we introduce a general model adaptation of the steady diffusion equation for extremely anisotropic diffusion problems with closed field lines.

Some properties of electrolyte solutions in nanoconfinement revealed by the measurement of transient filtration potential after pressure switch off.

PubMed

Yaroshchuk, Andriy E; Boiko, Yuriy P; Makovetskiy, Alexandre L

2005-08-16

We have demonstrated that with a composite nanoporous ceramic membrane in a batch membrane cell it is technically feasible to switch off the trans-membrane hydrostatic pressure difference within tens of milliseconds. That enabled us to resolve practically the whole time evolution of transient filtration potential. Measurements of the latter have been complemented by measurements of steady-state salt rejection by the composite membrane and by measurements of the streaming potential and hydraulic permeability of membrane supports available separately. A theory has been developed in terms of network thermodynamics for the electrical response of a bilayer membrane to a pressure perturbation. In combination with the results of salt rejection measurements, from the time transients of filtration potential we could determine the ion transport numbers within the nanoporous layer. Besides that, from the dependence of steady-state salt rejection on the trans-membrane volume flow, we have determined the diffusion permeability of and the salt reflection coefficient in the nanoporous layer. This has enabled us to estimate the contributions of Donnan and non-Donnan mechanisms to the rejection of ions by the nanoporous membrane used in this study. It has been unexpectedly found that the Donnan exclusion played only a secondary role. Our hypothesis is that the non-Donnan exclusion of ions from the nanopores might be caused by changes in water properties in nanoconfinement. Proceeding from the results of steady-state filtration experiments with the membrane and the support, we also concluded that the nanoporous layer was imperfection-free and had a quite narrow pore size distribution, which made it a suitable object for fundamental studies of ion transfer mechanisms in nanopores.

Multi-Dimensional, Non-Pyrolyzing Ablation Test Problems

NASA Technical Reports Server (NTRS)

Risch, Tim; Kostyk, Chris

2016-01-01

Non-pyrolyzingcarbonaceous materials represent a class of candidate material for hypersonic vehicle components providing both structural and thermal protection system capabilities. Two problems relevant to this technology are presented. The first considers the one-dimensional ablation of a carbon material subject to convective heating. The second considers two-dimensional conduction in a rectangular block subject to radiative heating. Surface thermochemistry for both problems includes finite-rate surface kinetics at low temperatures, diffusion limited ablation at intermediate temperatures, and vaporization at high temperatures. The first problem requires the solution of both the steady-state thermal profile with respect to the ablating surface and the transient thermal history for a one-dimensional ablating planar slab with temperature-dependent material properties. The slab front face is convectively heated and also reradiates to a room temperature environment. The back face is adiabatic. The steady-state temperature profile and steady-state mass loss rate should be predicted. Time-dependent front and back face temperature, surface recession and recession rate along with the final temperature profile should be predicted for the time-dependent solution. The second problem requires the solution for the transient temperature history for an ablating, two-dimensional rectangular solid with anisotropic, temperature-dependent thermal properties. The front face is radiatively heated, convectively cooled, and also reradiates to a room temperature environment. The back face and sidewalls are adiabatic. The solution should include the following 9 items: final surface recession profile, time-dependent temperature history of both the front face and back face at both the centerline and sidewall, as well as the time-dependent surface recession and recession rate on the front face at both the centerline and sidewall. The results of the problems from all submitters will be collected, summarized, and presented at a later conference.

Calcium distribution in Amoeba proteus

PubMed Central

1979-01-01

A preliminary investigation of the distribution of cellular calcium in Amoeba proteus was undertaken. Total cellular calcium under control conditions was found to be 4.59 mmol/kg of cells. When the external Ca++ concentration is increased from the control level of 0.03 to 20 mM, a net Ca++ influx results with a new steady-state cellular calcium level being achieved in integral of 3 h. At steady state the amount of calcium per unit weight of cells is higher than the amount of calcium per unit weight of external solution when the external concentration of Ca++ is below 10 mM. At external Ca++ concentrations above this level, total cellular calcium approaches the medium level of Ca++. Steady- state calcium exchange in Amoeba proteus was determined with 45Ca. There is an immediate and rapid exchange of integral of 0.84 mmol/kg of cells or 18% of the total cellular calcium with the labelled Ca++. Following this initial exchange, there was very little if any further exchange observed. Most of this exchanged calcium could be eliminated from the cell with 1 mM La+++, suggesting that the exchanged calcium is associated with the surface of the cell. Increase in either the external Ca++ concentration of pH raise the amount of exchangeable calcium associated with the cell. Calcium may be associated with the cell surface as a co-ion in the diffuse double layer or bound to fixed negative sites on the surface of the cell. If Ca++-binding sites do exist on the cell surface, there may be more than one type and they may have different dissociation constants. The cytoplasmic Ca++ ion activity is probably maintained at very low levels. PMID:512628

Steady state and a general scale law of deformation

NASA Astrophysics Data System (ADS)

Huang, Yan

2017-07-01

Steady state deformation has been characterized based on the experimental results for dilute single-phase aluminium alloys. It was found that although characteristic properties such as flow stress and grain size remained constant with time, a continuous loss of grain boundaries occurred as an essential feature at steady state. A physical model, which takes into account the activity of grain boundary dislocations, was developed to describe the kinetics of steady state deformation. According to this model, the steady state as a function of strain rate and temperature defines the limit of the conventional grain size and strength relationship, i.e., the Hall-Petch relation holds when the grain size is larger than that at the steady state, and an inverse Hall-Petch relation takes over if grain size is smaller than the steady state value. The transition between the two relationships relating grain size and strength is a phenomenon that depends on deformation conditions, rather than an intrinsic property as generally perceived. A general scale law of deformation is established accordingly.

The effect of a realistic thermal diffusivity on numerical model of a subducting slab

NASA Astrophysics Data System (ADS)

Maierova, P.; Steinle-Neumann, G.; Cadek, O.

2010-12-01

A number of numerical studies of subducting slab assume simplified (constant or only depth-dependent) models of thermal conductivity. The available mineral physics data indicate, however, that thermal diffusivity is strongly temperature- and pressure-dependent and may also vary among different mantle materials. In the present study, we examine the influence of realistic thermal properties of mantle materials on the thermal state of the upper mantle and the dynamics of subducting slabs. On the basis of the data published in mineral physics literature we compile analytical relationships that approximate the pressure and temperature dependence of thermal diffusivity for major mineral phases of the mantle (olivine, wadsleyite, ringwoodite, garnet, clinopyroxenes, stishovite and perovskite). We propose a simplified composition of mineral assemblages predominating in the subducting slab and the surrounding mantle (pyrolite, mid-ocean ridge basalt, harzburgite) and we estimate their thermal diffusivity using the Hashin-Shtrikman bounds. The resulting complex formula for the diffusivity of each aggregate is then approximated by a simpler analytical relationship that is used in our numerical model as an input parameter. For the numerical modeling we use the Elmer software (open source finite element software for multiphysical problems, see http://www.csc.fi/english/pages/elmer). We set up a 2D Cartesian thermo-mechanical steady-state model of a subducting slab. The model is partly kinematic as the flow is driven by a boundary condition on velocity that is prescribed on the top of the subducting lithospheric plate. Reology of the material is non-linear and is coupled with the thermal equation. Using the realistic relationship for thermal diffusivity of mantle materials, we compute the thermal and flow fields for different input velocity and age of the subducting plate and we compare the results against the models assuming a constant thermal diffusivity. The importance of the realistic description of thermal properties in models of subducted slabs is discussed.

Processing of emotional words measured simultaneously with steady-state visually evoked potentials and near-infrared diffusing-wave spectroscopy.

PubMed

Koban, Leonie; Ninck, Markus; Li, Jun; Gisler, Thomas; Kissler, Johanna

2010-07-27

Emotional stimuli are preferentially processed compared to neutral ones. Measuring the magnetic resonance blood-oxygen level dependent (BOLD) response or EEG event-related potentials, this has also been demonstrated for emotional versus neutral words. However, it is currently unclear whether emotion effects in word processing can also be detected with other measures such as EEG steady-state visual evoked potentials (SSVEPs) or optical brain imaging techniques. In the present study, we simultaneously performed SSVEP measurements and near-infrared diffusing-wave spectroscopy (DWS), a new optical technique for the non-invasive measurement of brain function, to measure brain responses to neutral, pleasant, and unpleasant nouns flickering at a frequency of 7.5 Hz. The power of the SSVEP signal was significantly modulated by the words' emotional content at occipital electrodes, showing reduced SSVEP power during stimulation with pleasant compared to neutral nouns. By contrast, the DWS signal measured over the visual cortex showed significant differences between stimulation with flickering words and baseline periods, but no modulation in response to the words' emotional significance. This study is the first investigation of brain responses to emotional words using simultaneous measurements of SSVEPs and DWS. Emotional modulation of word processing was detected with EEG SSVEPs, but not by DWS. SSVEP power for emotional, specifically pleasant, compared to neutral words was reduced, which contrasts with previous results obtained when presenting emotional pictures. This appears to reflect processing differences between symbolic and pictorial emotional stimuli. While pictures prompt sustained perceptual processing, decoding the significance of emotional words requires more internal associative processing. Reasons for an absence of emotion effects in the DWS signal are discussed.

Impact of fluid-rock chemical interactions on tracer transport in fractured rocks.

PubMed

Mukhopadhyay, Sumit; Liu, H-H; Spycher, N; Kennedy, B M

2013-11-01

In this paper, we investigate the impact of chemical interactions, in the form of mineral precipitation and dissolution reactions, on tracer transport in fractured rocks. When a tracer is introduced in fractured rocks, it moves through the fracture primarily by advection and it also enters the stagnant water of the surrounding rock matrix through diffusion. Inside the porous rock matrix, the tracer chemically interacts with the solid materials of the rock, where it can precipitate depending on the local equilibrium conditions. Alternatively, it can be dissolved from the solid phase of the rock matrix into the matrix pore water, diffuse into the flowing fluids of the fracture and is advected out of it. We show that such chemical interactions between the fluid and solid phases have significant impact on tracer transport in fractured rocks. We invoke the dual-porosity conceptualization to represent the fractured rocks and develop a semi-analytical solution to describe the transient transport of tracers in interacting fluid-rock systems. To test the accuracy and stability of the semi-analytical solution, we compare it with simulation results obtained with the TOUGHREACT simulator. We observe that, in a chemically interacting system, the tracer breakthrough curve exhibits a pseudo-steady state, where the tracer concentration remains more or less constant over a finite period of time. Such a pseudo-steady condition is not observed in a non-reactive fluid-rock system. We show that the duration of the pseudo-state depends on the physical and chemical parameters of the system, and can be exploited to extract information about the fractured rock system, such as the fracture spacing and fracture-matrix interface area. © 2013.

Kinetic Monte Carlo Simulations of Rod Eutectics and the Surface Roughening Transition in Binary Alloys

NASA Technical Reports Server (NTRS)

Bentz, Daniel N.; Betush, William; Jackson, Kenneth A.

2003-01-01

In this paper we report on two related topics: Kinetic Monte Carlo simulations of the steady state growth of rod eutectics from the melt, and a study of the surface roughness of binary alloys. We have implemented a three dimensional kinetic Monte Carlo (kMC) simulation with diffusion by pair exchange only in the liquid phase. Entropies of fusion are first chosen to fit the surface roughness of the pure materials, and the bond energies are derived from the equilibrium phase diagram, by treating the solid and liquid as regular and ideal solutions respectively. A simple cubic lattice oriented in the {100} direction is used. Growth of the rods is initiated from columns of pure B material embedded in an A matrix, arranged in a close packed array with semi-periodic boundary conditions. The simulation cells typically have dimensions of 50 by 87 by 200 unit cells. Steady state growth is compliant with the Jackson-Hunt model. In the kMC simulations, using the spin-one Ising model, growth of each phase is faceted or nonfaceted phases depending on the entropy of fusion. There have been many studies of the surface roughening transition in single component systems, but none for binary alloy systems. The location of the surface roughening transition for the phases of a eutectic alloy determines whether the eutectic morphology will be regular or irregular. We have conducted a study of surface roughness on the spin-one Ising Model with diffusion using kMC. The surface roughness was found to scale with the melting temperature of the alloy as given by the liquidus line on the equilibrium phase diagram. The density of missing lateral bonds at the surface was used as a measure of surface roughness.

Stirring Up the Biological Pump: Vertical Mixing and Carbon Export in the Southern Ocean

NASA Astrophysics Data System (ADS)

Stukel, Michael R.; Ducklow, Hugh W.

2017-09-01

The biological carbon pump (BCP) transports organic carbon from the surface to the ocean's interior via sinking particles, vertically migrating organisms, and passive transport of organic matter by advection and diffusion. While many studies have quantified sinking particles, the magnitude of passive transport remains poorly constrained. In the Southern Ocean weak thermal stratification, strong vertical gradients in particulate organic matter, and weak vertical nitrate gradients suggest that passive transport from the euphotic zone may be particularly important. We compile data from seasonal time series at a coastal site near Palmer Station, annual regional cruises in the Western Antarctic Peninsula (WAP), cruises throughout the broader Southern Ocean, and SOCCOM (Southern Ocean Carbon and Climate Observations and Modeling) autonomous profiling floats to estimate spatial and temporal patterns in vertical gradients of nitrate, particulate nitrogen (PN), and dissolved organic carbon. Under a steady state approximation, the ratio of ∂PN/∂z to ∂NO3-/∂z suggests that passive transport of PN may be responsible for removing 46% (37%-58%) of the nitrate introduced into the surface ocean of the WAP (with dissolved organic matter contributing an additional 3-6%) and for 23% (19%-28%) of the BCP in the broader Southern Ocean. A simple model parameterized with in situ nitrate, PN, and primary production data suggested that passive transport was responsible for 54% of the magnitude of the BCP in the WAP. Our results highlight the potential importance of passive transport (by advection and diffusion) of organic matter in the Southern Ocean but should only be considered indicative of high passive transport (rather than conclusive evidence) due to our steady state assumptions.

Development of steady-state scenarios compatible with ITER-like wall conditions

NASA Astrophysics Data System (ADS)

Litaudon, X.; Arnoux, G.; Beurskens, M.; Brezinsek, S.; Challis, C. D.; Crisanti, F.; DeVries, P. C.; Giroud, C.; Pitts, R. A.; Rimini, F. G.; Andrew, Y.; Ariola, M.; Baranov, Yu F.; Brix, M.; Buratti, P.; Cesario, R.; Corre, Y.; DeLa Luna, E.; Fundamenski, W.; Giovannozzi, E.; Gryaznevich, M. P.; Hawkes, N. C.; Hobirk, J.; Huber, A.; Jachmich, S.; Joffrin, E.; Koslowski, H. R.; Liang, Y.; Loarer, Th; Lomas, P.; Luce, T.; Mailloux, J.; Matthews, G. F.; Mazon, D.; McCormick, K.; Moreau, D.; Pericoli, V.; Philipps, V.; Rachlew, E.; Reyes-Cortes, S. D. A.; Saibene, G.; Sharapov, S. E.; Voitsekovitch, I.; Zabeo, L.; Zimmermann, O.; Zastrow, K. D.; JET-EFDA Contributors, the

2007-12-01

A key issue for steady-state tokamak operation is to determine the edge conditions that are compatible both with good core confinement and with the power handling and plasma exhaust capabilities of the plasma facing components (PFCs) and divertor systems. A quantitative response to this open question will provide a robust scientific basis for reliable extrapolation of present regimes to an ITER compatible steady-state scenario. In this context, the JET programme addressing steady-state operation is focused on the development of non-inductive, high confinement plasmas with the constraints imposed by the PFCs. A new beryllium main chamber wall and tungsten divertor together with an upgrade of the heating/fuelling capability are currently in preparation at JET. Operation at higher power with this ITER-like wall will impose new constraints on non-inductive scenarios. Recent experiments have focused on the preparation for this new phase of JET operation. In this paper, progress in the development of advanced tokamak (AT) scenarios at JET is reviewed keeping this long-term objective in mind. The approach has consisted of addressing various critical issues separately during the 2006-2007 campaigns with a view to full scenario integration when the JET upgrades are complete. Regimes with internal transport barriers (ITBs) have been developed at q95 ~ 5 and high triangularity, δ (relevant to the ITER steady-state demonstration) by applying more than 30 MW of additional heating power reaching βN ~ 2 at Bo ~ 3.1 T. Operating at higher δ has allowed the edge pedestal and core densities to be increased pushing the ion temperature closer to that of the electrons. Although not yet fully integrated into a performance enhancing ITB scenario, Neon seeding has been successfully explored to increase the radiated power fraction (up to 60%), providing significant reduction of target tile power fluxes (and hence temperatures) and mitigation of edge localized mode (ELM) activity. At reduced toroidal magnetic field strength, high βN regimes have been achieved and q-profile optimization investigated for use in steady-state scenarios. Values of βN above the 'no-wall magnetohydrodynamic limit' (βN ~ 3.0) have been sustained for a resistive current diffusion time in high-δ configurations (at 1.2 MA/1.8 T). In this scenario, ELM activity has been mitigated by applying magnetic perturbations using error field correction coils to provide ergodization of the magnetic field at the plasma edge. In a highly shaped, quasi-double null X-point configuration, ITBs have been generated on the ion heat transport channel and combined with 'grassy' ELMs with ~30 MW of applied heating power (at 1.2 MA/2.7 T, q95 ~ 7). Advanced algorithms and system identification procedures have been developed with a view to developing simultaneously temperature and q-profile control in real-time. These techniques have so far been applied to the control of the q-profile evolution in JET AT scenarios.

Phased array ghost elimination (PAGE) for segmented SSFP imaging with interrupted steady-state.

PubMed

Kellman, Peter; Guttman, Michael A; Herzka, Daniel A; McVeigh, Elliot R

2002-12-01

Steady-state free precession (SSFP) has recently proven to be valuable for cardiac imaging due to its high signal-to-noise ratio and blood-myocardium contrast. Data acquired using ECG-triggered, segmented sequences during the approach to steady-state, or return to steady-state after interruption, may have ghost artifacts due to periodic k-space distortion. Schemes involving several preparatory RF pulses have been proposed to restore steady-state, but these consume imaging time during early systole. Alternatively, the phased-array ghost elimination (PAGE) method may be used to remove ghost artifacts from the first several frames. PAGE was demonstrated for cardiac cine SSFP imaging with interrupted steady-state using a simple alpha/2 magnetization preparation and storage scheme and a spatial tagging preparation.

Thermal mechanisms responsible for the irreversible degradation of superconductivity in commercial superconductors

NASA Astrophysics Data System (ADS)

Romanovskii, V. R.

2017-08-01

Conditions for the irreversible propagation of thermal instabilities in commercial superconductors subjected to intense and soft cooling have been formulated. An analysis has been conducted using two types of the superconductor's I-V characteristics, i.e., an ideal I-V characteristic, which assumes a step superconducting-to-normal transition, and a continuous I-V characteristic, which is described by a power law. The propagation rate of thermal instabilities along the superconducting composite has been determined. Calculations have been made for both subcritical and supercritical values of the current. It has been shown that they propagate along a commercial superconductor in the form of a switching wave. In rapidly cooled commercial superconductors, the steady-state rate of thermal instability propagation in the longitudinal direction can only be positive because there is no region of steady stabilization. It has been proved that, in the case of thermal instability irreversible propagation, the rise in the commercial superconductor temperature is similar to diffusion processes that occur in explosive chain reactions.

Photoluminescence and Photoconductivity to Assess Maximum Open-Circuit Voltage and Carrier Transport in Hybrid Perovskites and Other Photovoltaic Materials.

PubMed

Braly, Ian L; Stoddard, Ryan J; Rajagopal, Adharsh; Jen, Alex K-Y; Hillhouse, Hugh W

2018-06-06

Photovoltaic (PV) device development is much more expensive and time consuming than the development of the absorber layer alone. This perspective focuses on two methods that can be used to rapidly assess and develop PV absorber materials independent of device development. The absorber material properties of quasi-Fermi level splitting and carrier diffusion length under steady effective one-Sun illumination are indicators of a material's ability to achieve high VOC and JSC. These two material properties can be rapidly and simultaneously assessed with steady-state absolute intensity photoluminescence and photoconductivity measurements. As a result, these methods are extremely useful for predicting the quality and stability of PV materials prior to PV device development. Here, we summarize the methods, discuss their strengths and weaknesses, and compare photoluminescence and photoconductivity results with device performance for four hybrid perovskite compositions of various bandgaps (1.35 to 1.82 eV), CISe, CIGSe, and CZTSe.

A preliminary verification of the floating reference measurement method for non-invasive blood glucose sensing

NASA Astrophysics Data System (ADS)

Min, Xiaolin; Liu, Rong; Fu, Bo; Xu, Kexin

2017-06-01

In the non-invasive sensing of blood glucose by near-infrared diffuse reflectance spectroscopy, the spectrum is highly susceptible to the unstable and complicated background variations from the human body and the environment. In in vitro analyses, background variations are usually corrected by the spectrum of a standard reference sample that has similar optical properties to the analyte of interest. However, it is hard to find a standard sample for the in vivo measurement. Therefore, the floating reference measurement method is proposed to enable relative measurements in vivo, where the spectra under some special source-detector distance, defined as the floating reference position, are insensitive to the changes in glucose concentration due to the absorption effect and scattering effect. Because the diffuse reflectance signals at the floating reference positions only reflect the information on background variations during the measurement, they can be used as the internal reference. In this paper, the theoretical basis of the floating reference positions in a semi-infinite turbid medium was discussed based on the steady-state diffusion equation and its analytical solutions in a semi-infinite turbid medium (under the extrapolated boundary conditions). Then, Monte-Carlo (MC) simulations and in vitro experiments based on a custom-built continuous-moving spatially resolving double-fiber NIR measurement system, configured with two types of light source, a super luminescent diode (SLD) and a super-continuum laser, were carried out to verify the existence of the floating reference position in 5%, 10% and 20% Intralipid solutions. The results showed that the simulation values of the floating reference positions are close to the theoretical results, with a maximum deviation of approximately 0.3 mm in 1100-1320 nm. Great differences can be observed in 1340-1400 nm because the optical properties of Intralipid in this region don not satisfy the conditions of the steady-state diffusion equation. For the in vitro experiments, floating reference positions exist in 1220 nm and 1320 nm under two types of light source, and the results are quite close. However, the reference positions obtained from experiments are further from the light source compared with those obtained in the MC simulation. For the turbid media and the wavelengths investigated, the difference is up to 1 mm. This study is important for the design of optical fibers to be applied in the floating reference measurement.

Optical Fier Based System for Multiple Thermophysical Properties for Glove Box, Hot Cell and In-Pile Application

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

Ban, Heng

Thermal diffusivity of materials is of interest in nuclear applications at temperatures in excess of 2000°C. Commercial laser flash apparatus (LFA) that heats samples with a furnace typically do not reach these elevated temperatures nor are they easily adapted to a glove-box or hot cell environment. In this research, we performed work on an experimental technique using single laser surface heating, i.e. heating the disk sample only at its front surface with the continuous wave (CW) laser, to allow measurement of thermal diffusivity at very high temperatures within a small chamber. Thermal diffusivity is measured using a separate pulsed lasermore » on the front side and IR detector on the rear side. The new way of heating provides easy operation in comparison to other heating methods. The measurement of sample reference temperature is needed for the measured thermal diffusivity. A theoretical model was developed to describe transient heat transfer across the sample due to the laser pulse, starting from the steady state temperature of the sample heated by the CW laser. The experimental setup was established with a 500W CW laser and maximum 50 Joule pulse laser irradiated at the front surface of the sample. The induced temperature rise at the rear surface, along with the steady-state temperature at the front surface, was recorded for the determination of thermal diffusivity and the sample temperature. Three samples were tested in vacuum over a wide temperature range of 500°C to 2100°C, including graphite, Inconel 600 and tungsten. The latter two samples were coated with sprayed graphite on their front surfaces in order to achieve surface absorption/emission needs, i.e. high absorptivity of the front surface against relatively low emissivity of the rear surface. Thermal diffusivity of graphite determined by our system are within a 5% difference of the commercial LFA data at temperatures below 1300°C and agree well with its trend at higher temperatures. Good agreement would also exist for Inconel 600 and tungsten. Despite large uncertainty of measuringthe sample temperature, the uncertainties of thermal diffusivity are less than 6% for all samples at elevated temperatures. The results indicate that single laser surface heating could be convenient and practical for the application of the LFA measurements without extra uncertainty, as temperature dependence of thermal diffusivity is usually negligible in the sample. Moreover, it is concluded that unequal surface treatment, i.e., high absorption on the front side and low emission on the rear side, greatly improves the measurement in serval aspects: less power requirement of the CW laser, less uncertainty of measured thermal diffusivity, and more uniform temperature distribution in the sample. The result of this research can be used as a general guideline for the design of this type of measurement system for nuclear applications. It can also be used directly to design and build a system similar to the one implemented in this project.« less

Bioaccumulation factors and the steady state assumption for cesium isotopes in aquatic foodwebs near nuclear facilities.

PubMed

Rowan, D J

2013-07-01

Steady state approaches, such as transfer coefficients or bioaccumulation factors, are commonly used to model the bioaccumulation of (137)Cs in aquatic foodwebs from routine operations and releases from nuclear generating stations and other nuclear facilities. Routine releases from nuclear generating stations and facilities, however, often consist of pulses as liquid waste is stored, analyzed to ensure regulatory compliance and then released. The effect of repeated pulse releases on the steady state assumption inherent in the bioaccumulation factor approach has not been evaluated. In this study, I examine the steady state assumption for aquatic biota by analyzing data for two cesium isotopes in the same biota, one isotope in steady state (stable (133)Cs) from geologic sources and the other released in pulses ((137)Cs) from reactor operations. I also compare (137)Cs bioaccumulation factors for similar upstream populations from the same system exposed solely to weapon test (137)Cs, and assumed to be in steady state. The steady state assumption appears to be valid for small organisms at lower trophic levels (zooplankton, rainbow smelt and 0+ yellow perch) but not for older and larger fish at higher trophic levels (walleye). Attempts to account for previous exposure and retention through a biokinetics approach had a similar effect on steady state, upstream and non-steady state, downstream populations of walleye, but were ineffective in explaining the more or less constant deviation between fish with steady state exposures and non-steady state exposures of about 2-fold for all age classes of walleye. These results suggest that for large, piscivorous fish, repeated exposure to short duration, pulse releases leads to much higher (137)Cs BAFs than expected from (133)Cs BAFs for the same fish or (137)Cs BAFs for similar populations in the same system not impacted by reactor releases. These results suggest that the steady state approach should be used with caution in any situation where reactor releases are episodic or pulse in nature, even if the magnitude of these releases is small. Copyright © 2012. Published by Elsevier Ltd.

Model of turnover kinetics in the lamellipodium: implications of slow- and fast- diffusing capping protein and Arp2/3 complex

NASA Astrophysics Data System (ADS)

McMillen, Laura M.; Vavylonis, Dimitrios

2016-12-01

Cell protrusion through polymerization of actin filaments at the leading edge of motile cells may be influenced by spatial gradients of diffuse actin and regulators. Here we study the distribution of two of the most important regulators, capping protein and Arp2/3 complex, which regulate actin polymerization in the lamellipodium through capping and nucleation of free barbed ends. We modeled their kinetics using data from prior single molecule microscopy experiments on XTC cells. These experiments have provided evidence for a broad distribution of diffusion coefficients of both capping protein and Arp2/3 complex. The slowly diffusing proteins appear as extended ‘clouds’ while proteins bound to the actin filament network appear as speckles that undergo retrograde flow. Speckle appearance and disappearance events correspond to assembly and dissociation from the actin filament network and speckle lifetimes correspond to the dissociation rate. The slowly diffusing capping protein could represent severed capped actin filament fragments or membrane-bound capping protein. Prior evidence suggests that slowly diffusing Apr2/3 complex associates with the membrane. We use the measured rates and estimates of diffusion coefficients of capping protein and Arp2/3 complex in a Monte Carlo simulation that includes particles in association with a filament network and diffuse in the cytoplasm. We consider two separate pools of diffuse proteins, representing fast and slowly diffusing species. We find a steady state with concentration gradients involving a balance of diffusive flow of fast and slow species with retrograde flow. We show that simulations of FRAP are consistent with prior experiments performed on different cell types. We provide estimates for the ratio of bound to diffuse complexes and calculate conditions where Arp2/3 complex recycling by diffusion may become limiting. We discuss the implications of slowly diffusing populations and suggest experiments to distinguish among mechanisms that influence long range transport.

Steady shape analysis of tomographic pumping tests for characterization of aquifer heterogeneities

USGS Publications Warehouse

Bohling, Geoffrey C.; Zhan, Xiaoyong; Butler, James J.; Zheng, Li

2002-01-01

Hydraulic tomography, a procedure involving the performance of a suite of pumping tests in a tomographic format, provides information about variations in hydraulic conductivity at a level of detail not obtainable with traditional well tests. However, analysis of transient data from such a suite of pumping tests represents a substantial computational burden. Although steady state responses can be analyzed to reduce this computational burden significantly, the time required to reach steady state will often be too long for practical applications of the tomography concept. In addition, uncertainty regarding the mechanisms driving the system to steady state can propagate to adversely impact the resulting hydraulic conductivity estimates. These disadvantages of a steady state analysis can be overcome by exploiting the simplifications possible under the steady shape flow regime. At steady shape conditions, drawdown varies with time but the hydraulic gradient does not. Thus transient data can be analyzed with the computational efficiency of a steady state model. In this study, we demonstrate the value of the steady shape concept for inversion of hydraulic tomography data and investigate its robustness with respect to improperly specified boundary conditions.

Spectral Analysis and Computation of Effective Diffusivities for Steady Random Flows

DTIC Science & Technology

2016-04-28

even in the motion of sea ice floes influenced by winds and ocean currents. The long time, large scale behavior of such systems is equivalent to an...flow plays a key role in many important processes in the global climate system [55] and Earth’s ecosys- tems [14]. Advection of geophysical fluids...HOMOGENIZATION OF THE ADVECTION-DIFFUSION EQUATION The dispersion of a cloud of passive scalars with density φ diffusing with molecular dif- fusivity ε and

Steady states and stability in metabolic networks without regulation.

PubMed

Ivanov, Oleksandr; van der Schaft, Arjan; Weissing, Franz J

2016-07-21

Metabolic networks are often extremely complex. Despite intensive efforts many details of these networks, e.g., exact kinetic rates and parameters of metabolic reactions, are not known, making it difficult to derive their properties. Considerable effort has been made to develop theory about properties of steady states in metabolic networks that are valid for any values of parameters. General results on uniqueness of steady states and their stability have been derived with specific assumptions on reaction kinetics, stoichiometry and network topology. For example, deep results have been obtained under the assumptions of mass-action reaction kinetics, continuous flow stirred tank reactors (CFSTR), concordant reaction networks and others. Nevertheless, a general theory about properties of steady states in metabolic networks is still missing. Here we make a step further in the quest for such a theory. Specifically, we study properties of steady states in metabolic networks with monotonic kinetics in relation to their stoichiometry (simple and general) and the number of metabolites participating in every reaction (single or many). Our approach is based on the investigation of properties of the Jacobian matrix. We show that stoichiometry, network topology, and the number of metabolites that participate in every reaction have a large influence on the number of steady states and their stability in metabolic networks. Specifically, metabolic networks with single-substrate-single-product reactions have disconnected steady states, whereas in metabolic networks with multiple-substrates-multiple-product reactions manifolds of steady states arise. Metabolic networks with simple stoichiometry have either a unique globally asymptotically stable steady state or asymptotically stable manifolds of steady states. In metabolic networks with general stoichiometry the steady states are not always stable and we provide conditions for their stability. In order to demonstrate the biological relevance we illustrate the results on the examples of the TCA cycle, the mevalonate pathway and the Calvin cycle. Copyright © 2016 Elsevier Ltd. All rights reserved.

Rapid mixing and short storage timescale in the magma dynamics of a steady-state volcano

NASA Astrophysics Data System (ADS)

Petrone, Chiara Maria; Braschi, Eleonora; Francalanci, Lorella; Casalini, Martina; Tommasini, Simone

2018-06-01

Steady-state volcanic activity implies equilibrium between the rate of magma replenishment and eruption of compositionally homogeneous magmas, lasting for tens to thousands of years in an open conduit system. The Present-day activity of Stromboli volcano (Aeolian Islands, Southern Italy) has long been recognised as typical of a steady-state volcano, with a shallow magmatic reservoir (highly porphyritic or hp-magma) continuously refilled by more mafic magma (with low phenocryst content or lp-magma) at a constant rate and accompanied by mixing, crystallisation and eruption. Our aim is to clarify the timescale and dynamics of the plumbing system at the establishment of the Present-day steady-state activity (<1.2 ka) to pinpoint the onset of the steady-state regime. We investigated the Post-Pizzo (PP) pyroclastic sequence (∼1.7-1.5 ka) and one of the Early Paroxysms (EP) of the Present-day activity, focusing on the clinopyroxene population. Whole rock and clinopyroxene compositional variation among the PP and EP magmas is consistent with the time progression of the Stromboli system towards more mafic and lower 87Sr/86Sr compositions, pointing to the chemical and isotopic signature of the Present-day activity. Clinopyroxenes from both PP and EP record a complex history with compositional zoning that reflects growth in three different melt domains: a high-Mg# proto-lp recharging magma, a low-Mg# proto-hp resident magma, and a transient intermediate-Mg# magma. These are the result of complex turbulent flow fields and mixing regimes produced by repeated injections of the proto-lp magma in the shallow proto-hp magma reservoir. During the PP period the magmatic system was already able to regain the pre-input proto-hp composition, gradually changing toward a less evolved signature after the injection(s) of the more mafic proto-lp magma, owing to efficient (days to a few years) stirring and melt homogenisation (i.e., homogenisation time < residence time). Based upon Fe-Mg diffusion in clinopyroxene the total residence time during PP and EP periods, from the arrival of the mafic magma in the shallow system until the eruption, ranges from 1 to ∼50 years. Longer residence times (up to 150 years) have been recorded in the initial phase of the PP sequence, possibly testifying to the transition from a closed- to the open-conduit, steady-state regime of the Present-day activity. Some clinopyroxenes from the PP recorded the mafic triggering event of the feeding proto-lp magma occurring within few months to a few days before eruption. Remarkably, other clinopyroxene portions crystallised and captured the rapid timescales (a few days) of the on-going mixing and homogenisation process between the proto-lp and the proto-hp magmas leading to the eruption. The modelling of clinopyroxene zoning events at Stromboli provides evidence for growth and storage in three different melt domains, and sets robust constraints on their residence time from lp-magma recharge(s) to eruption, along with the timescales of melt homogenisation and triggering events. The lifetime history captured by Fe-Mg zoning of Stromboli clinopyroxenes suggests that the interplay between rapid mixing and short storage timescales can be a key parameter controlling the dynamics of the plumbing system of steady-state volcanoes.