A new in-situ method to determine the apparent gas diffusion coefficient of soils

NASA Astrophysics Data System (ADS)

Laemmel, Thomas; Paulus, Sinikka; Schack-Kirchner, Helmer; Maier, Martin

2015-04-01

Soil aeration is an important factor for the biological activity in the soil and soil respiration. Generally, gas exchange between soil and atmosphere is assumed to be governed by diffusion and Fick's Law is used to describe the fluxes in the soil. The "apparent soil gas diffusion coefficient" represents the proportional factor between the flux and the gas concentration gradient in the soil and reflects the ability of the soil to "transport passively" gases through the soil. One common way to determine this coefficient is to take core samples in the field and determine it in the lab. Unfortunately this method is destructive and needs laborious field work and can only reflect a small fraction of the whole soil. As a consequence insecurity about the resulting effective diffusivity on the profile scale must remain. We developed a new in-situ method using new gas sampling device, tracer gas and inverse soil gas modelling. The gas sampling device contains several sampling depths and can be easily installed into vertical holes of an auger, which allows for fast installation of the system. At the lower end of the device inert tracer gas is injected continuously. The tracer gas diffuses into the surrounding soil. The resulting distribution of the tracer gas concentrations is used to deduce the diffusivity profile of the soil. For Finite Element Modeling of the gas sampling device/soil system the program COMSOL is used. We will present the results of a field campaign comparing the new in-situ method with lab measurements on soil cores. The new sampling pole has several interesting advantages: it can be used in-situ and over a long time; so it allows following modifications of diffusion coefficients in interaction with rain but also vegetation cycle and wind.

Detecting the sampling rate through observations

NASA Astrophysics Data System (ADS)

Shoji, Isao

2018-09-01

This paper proposes a method to detect the sampling rate of discrete time series of diffusion processes. Using the maximum likelihood estimates of the parameters of a diffusion process, we establish a criterion based on the Kullback-Leibler divergence and thereby estimate the sampling rate. Simulation studies are conducted to check whether the method can detect the sampling rates from data and their results show a good performance in the detection. In addition, the method is applied to a financial time series sampled on daily basis and shows the detected sampling rate is different from the conventional rates.

lop-DWI: A Novel Scheme for Pre-Processing of Diffusion-Weighted Images in the Gradient Direction Domain.

PubMed

Sepehrband, Farshid; Choupan, Jeiran; Caruyer, Emmanuel; Kurniawan, Nyoman D; Gal, Yaniv; Tieng, Quang M; McMahon, Katie L; Vegh, Viktor; Reutens, David C; Yang, Zhengyi

2014-01-01

We describe and evaluate a pre-processing method based on a periodic spiral sampling of diffusion-gradient directions for high angular resolution diffusion magnetic resonance imaging. Our pre-processing method incorporates prior knowledge about the acquired diffusion-weighted signal, facilitating noise reduction. Periodic spiral sampling of gradient direction encodings results in an acquired signal in each voxel that is pseudo-periodic with characteristics that allow separation of low-frequency signal from high frequency noise. Consequently, it enhances local reconstruction of the orientation distribution function used to define fiber tracks in the brain. Denoising with periodic spiral sampling was tested using synthetic data and in vivo human brain images. The level of improvement in signal-to-noise ratio and in the accuracy of local reconstruction of fiber tracks was significantly improved using our method.

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

NASA Technical Reports Server (NTRS)

Horai, K.-I.

1981-01-01

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

A framework to analyze cerebral mean diffusivity using surface guided diffusion mapping in diffusion tensor imaging

PubMed Central

Kwon, Oh-Hun; Park, Hyunjin; Seo, Sang-Won; Na, Duk L.; Lee, Jong-Min

2015-01-01

The mean diffusivity (MD) value has been used to describe microstructural properties in Diffusion Tensor Imaging (DTI) in cortical gray matter (GM). Recently, researchers have applied a cortical surface generated from the T1-weighted volume. When the DTI data are analyzed using the cortical surface, it is important to assign an accurate MD value from the volume space to the vertex of the cortical surface, considering the anatomical correspondence between the DTI and the T1-weighted image. Previous studies usually sampled the MD value using the nearest-neighbor (NN) method or Linear method, even though there are geometric distortions in diffusion-weighted volumes. Here we introduce a Surface Guided Diffusion Mapping (SGDM) method to compensate for such geometric distortions. We compared our SGDM method with results using NN and Linear methods by investigating differences in the sampled MD value. We also projected the tissue classification results of non-diffusion-weighted volumes to the cortical midsurface. The CSF probability values provided by the SGDM method were lower than those produced by the NN and Linear methods. The MD values provided by the NN and Linear methods were significantly greater than those of the SGDM method in regions suffering from geometric distortion. These results indicate that the NN and Linear methods assigned the MD value in the CSF region to the cortical midsurface (GM region). Our results suggest that the SGDM method is an effective way to correct such mapping errors. PMID:26236180

Ensemble Grouping Strategies for Embedded Stochastic Collocation Methods Applied to Anisotropic Diffusion Problems

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

D'Elia, M.; Edwards, H. C.; Hu, J.

Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less

Ensemble Grouping Strategies for Embedded Stochastic Collocation Methods Applied to Anisotropic Diffusion Problems

DOE PAGES

D'Elia, M.; Edwards, H. C.; Hu, J.; ...

2018-01-18

Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less

Single-shot diffusion measurement in laser-polarized Gas

NASA Technical Reports Server (NTRS)

Peled, S.; Tseng, C. H.; Sodickson, A. A.; Mair, R. W.; Walsworth, R. L.; Cory, D. G.

1999-01-01

A single-shot pulsed gradient stimulated echo sequence is introduced to address the challenges of diffusion measurements of laser polarized 3He and 129Xe gas. Laser polarization enhances the NMR sensitivity of these noble gases by >10(3), but creates an unstable, nonthermal polarization that is not readily renewable. A new method is presented which permits parallel acquisition of the several measurements required to determine a diffusive attenuation curve. The NMR characterization of a sample's diffusion behavior can be accomplished in a single measurement, using only a single polarization step. As a demonstration, the diffusion coefficient of a sample of laser-polarized 129Xe gas is measured via this method. Copyright 1999 Academic Press.

Passive sampler for formaldehyde in air using 2,4-dinitrophenylhydrazine-coated glass fiber filters

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

Levin, J.O.; Lindahl, R.; Andersson, K.

1986-12-01

A method utilizing diffusive sampling of formaldehyde in air has been developed. A glass fiber filter, impregnated with 2,4-dinitrophenylhydrazine (DNPH) and phosphoric acid and mounted into a modified aerosol-sampling cassette, is used for sampling by controlled diffusion. The formaldehyde hydrazone formed is desorbed and determined by high-performance liquid chromatography with UV detection. The sampling rate of the sampler was determined to 61 mL/min, with a standard deviation of 5%. The sampling rate is independent of formaldehyde concentrations between 0.1 and 5 mg/m/sup 3/ and sampling times between 15 min and 8 h. The sensitivity of the diffusive method is approximatelymore » 0.005 mg/m/sup 3/ (5 ppm) in an 8-h sample, and the reproducibility is better than 3%.« less

Monte Carlo sampling in diffusive dynamical systems

NASA Astrophysics Data System (ADS)

Tapias, Diego; Sanders, David P.; Altmann, Eduardo G.

2018-05-01

We introduce a Monte Carlo algorithm to efficiently compute transport properties of chaotic dynamical systems. Our method exploits the importance sampling technique that favors trajectories in the tail of the distribution of displacements, where deviations from a diffusive process are most prominent. We search for initial conditions using a proposal that correlates states in the Markov chain constructed via a Metropolis-Hastings algorithm. We show that our method outperforms the direct sampling method and also Metropolis-Hastings methods with alternative proposals. We test our general method through numerical simulations in 1D (box-map) and 2D (Lorentz gas) systems.

Combining land use information and small stream sampling with PCR-based methods for better characterization of diffuse sources of human fecal pollution.

PubMed

Peed, Lindsay A; Nietch, Christopher T; Kelty, Catherine A; Meckes, Mark; Mooney, Thomas; Sivaganesan, Mano; Shanks, Orin C

2011-07-01

Diffuse sources of human fecal pollution allow for the direct discharge of waste into receiving waters with minimal or no treatment. Traditional culture-based methods are commonly used to characterize fecal pollution in ambient waters, however these methods do not discern between human and other animal sources of fecal pollution making it difficult to identify diffuse pollution sources. Human-associated quantitative real-time PCR (qPCR) methods in combination with low-order headwatershed sampling, precipitation information, and high-resolution geographic information system land use data can be useful for identifying diffuse source of human fecal pollution in receiving waters. To test this assertion, this study monitored nine headwatersheds over a two-year period potentially impacted by faulty septic systems and leaky sanitary sewer lines. Human fecal pollution was measured using three different human-associated qPCR methods and a positive significant correlation was seen between abundance of human-associated genetic markers and septic systems following wet weather events. In contrast, a negative correlation was observed with sanitary sewer line densities suggesting septic systems are the predominant diffuse source of human fecal pollution in the study area. These results demonstrate the advantages of combining water sampling, climate information, land-use computer-based modeling, and molecular biology disciplines to better characterize diffuse sources of human fecal pollution in environmental waters.

Low thermal diffusivity measurements of thin films using mirage technique

NASA Astrophysics Data System (ADS)

Wong, P. K.; Fung, P. C. W.; Tam, H. L.

1998-12-01

Mirage technique is proved to be powerful in measurements of thermal diffusivity. Its contactless nature makes it suitable for delicate samples such as thin films and single crystals. However, as the damping of the thermal wave profile increases progressively upon the decrease in thermal diffusivity of the medium, mirage technique becomes more difficult to be applied to low thermal diffusivity measurements. Moreover influences from substrate signals make analysis difficult when the samples are thermally thin. Recently a thermal-wave-coupling method for mirage signal analysis [P. K. Wong, P. C. W. Fung, H. L. Tam, and J. Gao, Phys. Rev. B 51, 523 (1995)] was reported for thermal diffusivity measurements of thin film down to 60 nm thick. In this article we apply the thermal-wave-coupling method to thin films of low thermal diffusivity, especially polymer films. A new lower limit of thermal diffusivity measurable by mirage technique has been reached.

Single-image diffusion coefficient measurements of proteins in free solution.

PubMed

Zareh, Shannon Kian; DeSantis, Michael C; Kessler, Jonathan M; Li, Je-Luen; Wang, Y M

2012-04-04

Diffusion coefficient measurements are important for many biological and material investigations, such as studies of particle dynamics and kinetics, and size determinations. Among current measurement methods, single particle tracking (SPT) offers the unique ability to simultaneously obtain location and diffusion information about a molecule while using only femtomoles of sample. However, the temporal resolution of SPT is limited to seconds for single-color-labeled samples. By directly imaging three-dimensional diffusing fluorescent proteins and studying the widths of their intensity profiles, we were able to determine the proteins' diffusion coefficients using single protein images of submillisecond exposure times. This simple method improves the temporal resolution of diffusion coefficient measurements to submilliseconds, and can be readily applied to a range of particle sizes in SPT investigations and applications in which diffusion coefficient measurements are needed, such as reaction kinetics and particle size determinations. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Generalizing the flash technique in the front-face configuration to measure the thermal diffusivity of semitransparent solids

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

Pech-May, Nelson Wilbur; Department of Applied Physics, CINVESTAV Unidad Mérida, carretera Antigua a Progreso km6, A.P. 73 Cordemex, Mérida Yucatán 97310, México; Mendioroz, Arantza

2014-10-15

In this work, we have extended the front-face flash method to retrieve simultaneously the thermal diffusivity and the optical absorption coefficient of semitransparent plates. A complete theoretical model that allows calculating the front surface temperature rise of the sample has been developed. It takes into consideration additional effects, such as multiple reflections of the heating light beam inside the sample, heat losses by convection and radiation, transparency of the sample to infrared wavelengths, and heating pulse duration. Measurements performed on calibrated solids, covering a wide range of absorption coefficients (from transparent to opaque) and thermal diffusivities, validate the proposed method.

The study of frequency-scan photothermal reflectance technique for thermal diffusivity measurement

DOE PAGES

Hua, Zilong; Ban, Heng; Hurley, David H.

2015-05-05

A frequency scan photothermal reflectance technique to measure thermal diffusivity of bulk samples is studied in this manuscript. Similar to general photothermal reflectance methods, an intensity-modulated heating laser and a constant intensity probe laser are used to determine the surface temperature response under sinusoidal heating. The approach involves fixing the distance between the heating and probe laser spots, recording the phase lag of reflected probe laser intensity with respect to the heating laser frequency modulation, and extracting thermal diffusivity using the phase lag – (frequency) 1/2 relation. The experimental validation is performed on three samples (SiO 2, CaF 2 andmore » Ge), which have a wide range of thermal diffusivities. The measured thermal diffusivity values agree closely with literature values. Lastly, compared to the commonly used spatial scan method, the experimental setup and operation of the frequency scan method are simplified, and the uncertainty level is equal to or smaller than that of the spatial scan method.« less

The study of frequency-scan photothermal reflectance technique for thermal diffusivity measurement

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

Hua, Zilong; Ban, Heng; Hurley, David H.

A frequency scan photothermal reflectance technique to measure thermal diffusivity of bulk samples is studied in this manuscript. Similar to general photothermal reflectance methods, an intensity-modulated heating laser and a constant intensity probe laser are used to determine the surface temperature response under sinusoidal heating. The approach involves fixing the distance between the heating and probe laser spots, recording the phase lag of reflected probe laser intensity with respect to the heating laser frequency modulation, and extracting thermal diffusivity using the phase lag – (frequency) 1/2 relation. The experimental validation is performed on three samples (SiO 2, CaF 2 andmore » Ge), which have a wide range of thermal diffusivities. The measured thermal diffusivity values agree closely with literature values. Lastly, compared to the commonly used spatial scan method, the experimental setup and operation of the frequency scan method are simplified, and the uncertainty level is equal to or smaller than that of the spatial scan method.« less

A novel multiple headspace extraction gas chromatographic method for measuring the diffusion coefficient of methanol in water and in olive oil.

PubMed

Zhang, Chun-Yun; Chai, Xin-Sheng

2015-03-13

A novel method for the determination of the diffusion coefficient (D) of methanol in water and olive oil has been developed. Based on multiple headspace extraction gas chromatography (MHE-GC), the methanol released from the liquid sample of interest in a closed sample vial was determined in a stepwise fashion. A theoretical model was derived to establish the relationship between the diffusion coefficient and the GC signals from MHE-GC measurements. The results showed that the present method has an excellent precision (RSD<1%) in the linear fitting procedure and good accuracy for the diffusion coefficients of methanol in both water and olive oil, when compared with data reported in the literature. The present method is simple and practical and can be a valuable tool for the determination of the diffusion coefficient of volatile analyte(s) into food simulants from food and beverage packaging material, both in research studies and in actual applications. Copyright © 2015 Elsevier B.V. All rights reserved.

Investigation of polyethylene passive diffusion samplers for sampling volatile organic compounds in ground water at Davis Global Communications, Sacramento, California, August 1998 to February 1999

USGS Publications Warehouse

Vroblesky, Don A.; Borchers, J.W.; Campbell, T.R.; Kinsey, Willey

2000-01-01

Fourteen wells were instrumented with diffusion samplers as a test to determine whether the samplers could be used to obtain representative volatile organic compound concentrations at a study site in Sacramento, California. Single diffusion samplers were placed in 10-foot-long well screens, and multiple diffusion samplers were positioned in 20-foot-long well screens. Borehole geophysical logs and electromagnetic flowmeter tests were run in selected wells with 20-foot-long well screens prior to deploying the samplers. The diffusion samplers were recovered after 25 to 30 days, and the wells were then sampled by using the purge-and-sample method. In most wells, the concentrations obtained by using the downhole diffusion samplers closely matched those obtained by using the purge-and-sample method. In seven wells, the concentrations differed between the two methods by only 2 micrograms per liter (g/L) or less. In three wells, volatile organic compounds were not detected in water obtained by using either method. In the four remaining wells, differences between the methods were less than 2g/L in the 0.2- to 8.5-g/L concentration range and from 1.2 to 8.7g/L in the 10- to 26-g/L concentration range. Greater differences (23 percent or 14.5g/L, 31 percent or 66g/L, and 46 percent or 30g/L) between the two methods were observed for tetrachloroethene concentrations, which ranged between 30 and 211g/L in three wells. The most probable explanation for the differences is that in some wells, the purging induced drawdowns and introduced water that differed in volatile organic compound concentrations from the in situ water in contact with the screened interval of the well. Alternate explanations include the possibility of unrecorded changes in nearby contaminant-extraction-well operation during the equilibration period. The data suggest that the combined use of borehole flowmeter tests and diffusion samplers may be useful in optimizing the radius of capture of contaminated ground water by the contaminant-removal wells. Overall, the data suggest that the use of diffusion samplers provided an alternative sampling method to the purge-and-sample approach. 1U.S. Geological Survey, Stephenson Center, Suite 129, 720 Gracern Road, Columbia, South Carolina 29210-7651. 2U.S. Geological Survey, 6000 J Street, Sacramento, California 95819-6129.

Numerical simulations of motion-insensitive diffusion imaging based on the distant dipolar field effects.

PubMed

Lin, Tao; Sun, Huijun; Chen, Zhong; You, Rongyi; Zhong, Jianhui

2007-12-01

Diffusion weighting in MRI is commonly achieved with the pulsed-gradient spin-echo (PGSE) method. When combined with spin-warping image formation, this method often results in ghosts due to the sample's macroscopic motion. It has been shown experimentally (Kennedy and Zhong, MRM 2004;52:1-6) that these motion artifacts can be effectively eliminated by the distant dipolar field (DDF) method, which relies on the refocusing of spatially modulated transverse magnetization by the DDF within the sample itself. In this report, diffusion-weighted images (DWIs) using both DDF and PGSE methods in the presence of macroscopic sample motion were simulated. Numerical simulation results quantify the dependence of signals in DWI on several key motion parameters and demonstrate that the DDF DWIs are much less sensitive to macroscopic sample motion than the traditional PGSE DWIs. The results also show that the dipolar correlation distance (d(c)) can alter contrast in DDF DWIs. The simulated results are in good agreement with the experimental results reported previously.

Dynamic measurements of CO diffusing capacity using discrete samples of alveolar gas.

PubMed

Graham, B L; Mink, J T; Cotton, D J

1983-01-01

It has been shown that measurements of the diffusing capacity of the lung for CO made during a slow exhalation [DLCO(exhaled)] yield information about the distribution of the diffusing capacity in the lung that is not available from the commonly measured single-breath diffusing capacity [DLCO(SB)]. Current techniques of measuring DLCO(exhaled) require the use of a rapid-responding (less than 240 ms, 10-90%) CO meter to measure the CO concentration in the exhaled gas continuously during exhalation. DLCO(exhaled) is then calculated using two sample points in the CO signal. Because DLCO(exhaled) calculations are highly affected by small amounts of noise in the CO signal, filtering techniques have been used to reduce noise. However, these techniques reduce the response time of the system and may introduce other errors into the signal. We have developed an alternate technique in which DLCO(exhaled) can be calculated using the concentration of CO in large discrete samples of the exhaled gas, thus eliminating the requirement of a rapid response time in the CO analyzer. We show theoretically that this method is as accurate as other DLCO(exhaled) methods but is less affected by noise. These findings are verified in comparisons of the discrete-sample method of calculating DLCO(exhaled) to point-sample methods in normal subjects, patients with emphysema, and patients with asthma.

Experimental investigation on variation of physical properties of coal samples subjected to microwave irradiation

NASA Astrophysics Data System (ADS)

Hu, Guozhong; Yang, Nan; Xu, Guang; Xu, Jialin

2018-03-01

The gas drainage rate of low-permeability coal seam is generally less than satisfactory. This leads to the gas disaster of coal mine, and largely restricts the extraction of coalbed methane (CBM), and increases the emission of greenhouse gases in the mining area. Consequently, enhancing the gas drainage rate is an urgent challenge. To solve this problem, a new approach of using microwave irradiation (MWR) as a non-contact physical field excitation method to enhance gas drainage has been attempted. In order to evaluate the feasibility of this method, the methane adsorption, diffusion and penetrability of coal subjected to MWR were experimentally investigated. The variation of methane adsorbed amount, methane diffusion speed and absorption loop for the coal sample before and after MWR were obtained. The findings show that the MWR can change the adsorption property and reduce the methane adsorption capacity of coal. Moreover, the methane diffusion characteristic curves for both the irradiated coal samples and theoriginal coal samples present the same trend. The irradiated coal samples have better methane diffusion ability than the original ones. As the adsorbed methane decreases, the methane diffusion speed increases or remain the same for the sample subjected to MWR. Furthermore, compared to the original coal samples, the area of the absorption loop for irradiated samples increases, especially for the micro-pore and medium-pore stage. This leads to the increase of open pores in the coal, thus improving the gas penetrability of coal. This study provides supports for positive MWR effects on changing the methane adsorption and improving the methane diffusion and the gas penetrability properties of coal samples.

Sparse Solution of Fiber Orientation Distribution Function by Diffusion Decomposition

PubMed Central

Yeh, Fang-Cheng; Tseng, Wen-Yih Isaac

2013-01-01

Fiber orientation is the key information in diffusion tractography. Several deconvolution methods have been proposed to obtain fiber orientations by estimating a fiber orientation distribution function (ODF). However, the L 2 regularization used in deconvolution often leads to false fibers that compromise the specificity of the results. To address this problem, we propose a method called diffusion decomposition, which obtains a sparse solution of fiber ODF by decomposing the diffusion ODF obtained from q-ball imaging (QBI), diffusion spectrum imaging (DSI), or generalized q-sampling imaging (GQI). A simulation study, a phantom study, and an in-vivo study were conducted to examine the performance of diffusion decomposition. The simulation study showed that diffusion decomposition was more accurate than both constrained spherical deconvolution and ball-and-sticks model. The phantom study showed that the angular error of diffusion decomposition was significantly lower than those of constrained spherical deconvolution at 30° crossing and ball-and-sticks model at 60° crossing. The in-vivo study showed that diffusion decomposition can be applied to QBI, DSI, or GQI, and the resolved fiber orientations were consistent regardless of the diffusion sampling schemes and diffusion reconstruction methods. The performance of diffusion decomposition was further demonstrated by resolving crossing fibers on a 30-direction QBI dataset and a 40-direction DSI dataset. In conclusion, diffusion decomposition can improve angular resolution and resolve crossing fibers in datasets with low SNR and substantially reduced number of diffusion encoding directions. These advantages may be valuable for human connectome studies and clinical research. PMID:24146772

Comparison of low cost measurement techniques for long-term monitoring of atmospheric ammonia.

PubMed

Sutton, M A; Miners, B; Tang, Y S; Milford, C; Wyers, G P; Duyzer, J H; Fowler, D

2001-10-01

An inter-comparison of techniques for long-term sampling of atmospheric ammonia (NH3) was conducted with a view to establishing a national network with > 50 sites. Key requirements were for: a low cost system, simplicity and durability to enable a postal exchange with local site operators, a precision of < +/- 20% for monthly sampling at expected NH3 concentrations of 1-2 micrograms m-3, a detection limit sufficient to resolve the small NH3 concentrations (< 0.2 microgram m-3) expected in remote parts of the UK, and a quantitative means to establish quality control. Five sampling methods were compared: A, a commercially available membrane diffusion tube (exposed in triplicate), with membranes removed immediately after sampling; B, the above method, with the membranes left in place until analysis; C, open-ended diffusion tubes (exposed with 4 replicates); D, a new active sampling diffusion denuder system; and E, an active sampling bubbler system. Method D consisted of two 0.1 m acid coated glass denuders in series with sampling at approximately 0.3 l min-1. These methods were deployed at 6 locations in the UK and the Netherlands and compared against reference estimates. Method D was the most precise and sensitive of the techniques compared, with a detection limit of < 0.1 microgram m-3. The bubbler provided a less precise estimate of NH3 concentration, and also suffered several practical drawbacks. The diffusion tubes were found to correlate with the reference at high concentrations (> 3 micrograms m-3), but were less precise and overestimated NH3 at smaller concentrations. Of the passive methods, A was the most precise and C the least precise. On the basis of the results, method D has been implemented in the national network, together with application of method A to explore spatial variability in regions with expected high NH3 concentrations.

Super-resolution reconstruction of diffusion parameters from diffusion-weighted images with different slice orientations.

PubMed

Van Steenkiste, Gwendolyn; Jeurissen, Ben; Veraart, Jelle; den Dekker, Arnold J; Parizel, Paul M; Poot, Dirk H J; Sijbers, Jan

2016-01-01

Diffusion MRI is hampered by long acquisition times, low spatial resolution, and a low signal-to-noise ratio. Recently, methods have been proposed to improve the trade-off between spatial resolution, signal-to-noise ratio, and acquisition time of diffusion-weighted images via super-resolution reconstruction (SRR) techniques. However, during the reconstruction, these SRR methods neglect the q-space relation between the different diffusion-weighted images. An SRR method that includes a diffusion model and directly reconstructs high resolution diffusion parameters from a set of low resolution diffusion-weighted images was proposed. Our method allows an arbitrary combination of diffusion gradient directions and slice orientations for the low resolution diffusion-weighted images, optimally samples the q- and k-space, and performs motion correction with b-matrix rotation. Experiments with synthetic data and in vivo human brain data show an increase of spatial resolution of the diffusion parameters, while preserving a high signal-to-noise ratio and low scan time. Moreover, the proposed SRR method outperforms the previous methods in terms of the root-mean-square error. The proposed SRR method substantially increases the spatial resolution of MRI that can be obtained in a clinically feasible scan time. © 2015 Wiley Periodicals, Inc.

Measurement of CO2 diffusivity for carbon sequestration: a microfluidic approach for reservoir-specific analysis.

PubMed

Sell, Andrew; Fadaei, Hossein; Kim, Myeongsub; Sinton, David

2013-01-02

Predicting carbon dioxide (CO(2)) security and capacity in sequestration requires knowledge of CO(2) diffusion into reservoir fluids. In this paper we demonstrate a microfluidic based approach to measuring the mutual diffusion coefficient of carbon dioxide in water and brine. The approach enables formation of fresh CO(2)-liquid interfaces; the resulting diffusion is quantified by imaging fluorescence quenching of a pH-dependent dye, and subsequent analyses. This method was applied to study the effects of site-specific variables--CO(2) pressure and salinity levels--on the diffusion coefficient. In contrast to established, macro-scale pressure-volume-temperature cell methods that require large sample volumes and testing periods of hours/days, this approach requires only microliters of sample, provides results within minutes, and isolates diffusive mass transport from convective effects. The measured diffusion coefficient of CO(2) in water was constant (1.86 [± 0.26] × 10(-9) m(2)/s) over the range of pressures (5-50 bar) tested at 26 °C, in agreement with existing models. The effects of salinity were measured with solutions of 0-5 M NaCl, where the diffusion coefficient varied up to 3 times. These experimental data support existing theory and demonstrate the applicability of this method for reservoir-specific testing.

Exposure assessment of ETBE in gas station workers and gasoline tanker truck drivers.

PubMed

Eitaki, Yoko; Kawai, Toshio; Omae, Kazuyuki

2011-01-01

In order to measure occupational exposure concentrations of ethyl tertiary-butyl ether (ETBE), we developed a diffusive sampling method for monitoring ETBE and performed an ETBE exposure assessment. The applicability of diffusive samplers was examined by exposing the samplers to ETBE vapor in test chambers. The personal exposure levels of workers and airborne concentrations were measured at 4 gas stations. The ETBE sampling rate for the diffusive samplers (VOC-SD, Sigma-Aldrich Japan) was 25.04 ml/min (25°C). Compared with the active sampling method, the diffusive samplers could be used for short-term measurements and in environments containing a mixture of organic solvents. The geometric mean (GM) of TWA-8h ETBE was 0.08 ppm (0.02-0.28 ppm) in 28 gas station workers and 0.04 ppm (0.01-0.21 ppm) in 2 gasoline tanker truck drivers. With regard to ETBE airborne concentrations, the GM was 4.12 ppm (0.93-8.71 ppm) at the handles of hanging pumps but dropped to less than 0.01 ppm (less than 0.01-0.01 ppm) at the side of a public road. The diffusive sampling method can be used for the measurement of occupational ETBE exposure. The threshold limit of TLV-TWA 5 ppm recommended by the ACGIH was not exceeded in any of the workers in this study.

A novel in-situ method for real-time monitoring of gas transport in soil

NASA Astrophysics Data System (ADS)

Laemmel, Thomas; Maier, Martin; Schack-Kirchner, Helmer; Lang, Friederike

2017-04-01

Gas exchange between soil and atmosphere is important for the biogeochemistry of soils. Gas transport in soil is commonly assumed to be governed by molecular diffusion and is usually described by the soil gas diffusion coefficient DS characterizing the ability of the soil to "transport passively" gas through the soil. One way to determine DS is sampling soil cores in the field and measuring DS in the lab. Unfortunately this method is destructive and laborious. Moreover, a few previous field studies identified other gas transport processes in soil to significantly enhance the diffusive gas transport. However, until now, no method is available to measure gas transport in situ in the soil. We developed a novel method to monitor gas transport in soil in situ. The method includes a custom made gas sampling device, the continuous injection of an inert tracer gas and inverse gas transport modelling in the soil. The gas sampling device has several sampling depths and can be easily installed into a vertical hole drilled by an auger, which allows for fast installation of the system. Helium (He) as inert tracer gas was injected continuously at the lower end of the device. The resulting steady state distribution of He was used to deduce the depth profile of DS. Gas transport in the soil surrounding the gas-sampling-device/soil system was modeled using the Finite Element Modeling program COMSOL . We tested our new method both in the lab and during two short field studies and compared the results with a reference method using soil cores. DS profiles obtained by our in-situ method were consistent with DS profiles determined based on soil core analyses. During a longer monitoring field campaign, typical soil-moisture effects upon gas diffusivity such as an increase during a drying period or a decrease after rain could be observed consistently. Under windy conditions we additionally measured for the first time the direct enhancement of gas transport in soil due to wind-induced pressure-pumping which could increase the effective DS up to 30% in the topsoil. Our novel monitoring method can be quickly and easily installed and allows for monitoring continuously soil gas transport over a long time. It allows monitoring physical modifications of soil gas diffusivity due to rain events or evaporation but it also allows studying non-diffusive gas transport processes in the soil.

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.

Event-triggered synchronization for reaction-diffusion complex networks via random sampling

NASA Astrophysics Data System (ADS)

Dong, Tao; Wang, Aijuan; Zhu, Huiyun; Liao, Xiaofeng

2018-04-01

In this paper, the synchronization problem of the reaction-diffusion complex networks (RDCNs) with Dirichlet boundary conditions is considered, where the data is sampled randomly. An event-triggered controller based on the sampled data is proposed, which can reduce the number of controller and the communication load. Under this strategy, the synchronization problem of the diffusion complex network is equivalently converted to the stability of a of reaction-diffusion complex dynamical systems with time delay. By using the matrix inequality technique and Lyapunov method, the synchronization conditions of the RDCNs are derived, which are dependent on the diffusion term. Moreover, it is found the proposed control strategy can get rid of the Zeno behavior naturally. Finally, a numerical example is given to verify the obtained results.

An in situ method for real-time monitoring of soil gas diffusivity

NASA Astrophysics Data System (ADS)

Laemmel, Thomas; Maier, Martin; Schack-Kirchner, Helmer; Lang, Friederike

2016-04-01

Soil aeration is an important factor for the biogeochemistry of soils. Generally, gas exchange between soil and atmosphere is assumed to be governed by molecular diffusion and by this way fluxes can be calculated using by Fick's Law. The soil gas diffusion coefficient DS represents the proportional factor between the gas flux and the gas concentration gradient in the soil and reflects the ability of the soil to "transport passively" gas through the soil. One common way to determine DS is taking core samples in the field and measuring DS in the lab. Unfortunately this method is destructive and laborious and it can only reflect a small fraction of the whole soil. As a consequence, uncertainty about the resulting effective diffusivity on the profile scale, i.e. the real aeration status remains. We developed a method to measure and monitor DS in situ. The set-up consists of a custom made gas sampling device, the continuous injection of an inert tracer gas and inverse gas transport modelling in the soil. The gas sampling device has seven sampling depths (from 0 to -43 cm of depth) and can be easily installed into vertical holes drilled by an auger, which allows for fast installation of the system. Helium (He) as inert tracer gas was injected continuously at the lower end of the device. The resulting steady state distribution of He was used to deduce the DS depth distribution of the soil. For Finite Element Modeling of the gas-sampling-device/soil system the program COMSOL was used. We tested our new method both in the lab and in a field study and compared the results with a reference lab method using soil cores. DS profiles obtained by our in-situ method were consistent with DS profiles determined based on soil core analyses. Soil gas profiles could be measured with a temporal resolution of 30 minutes. During the field study, there was an important rain event and we could monitor the decrease in soil gas diffusivity in the top soil due to water infiltration. The effect of soil water infiltration deeper into the soil on soil gas diffusivity could be observed during the following hours. Our new DS determination device can be quickly and easily installed and allows for monitoring continuously soil gas transport over a long time. It allows following modifications of soil gas diffusivity due to rain events. In addition it enables the analysis of non-diffusive soil gas transport processes.

Comparison of Pumped and Diffusion Sampling Methods to Monitor Concentrations of Perchlorate and Explosive Compounds in Ground Water, Camp Edwards, Cape Cod, Massachusetts, 2004-05

USGS Publications Warehouse

LeBlanc, Denis R.; Vroblesky, Don A.

2008-01-01

Laboratory and field tests were conducted at Camp Edwards on the Massachusetts Military Reservation on Cape Cod to examine the utility of passive diffusion sampling for long-term monitoring of concentrations of perchlorate and explosive compounds in ground water. The diffusion samplers were constructed of 1-inch-diameter rigid, porous polyethylene tubing. The results of laboratory tests in which diffusion samplers were submerged in containers filled with ground water containing perchlorate, RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine), and HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) indicate that concentrations inside the diffusion samplers equilibrated with concentrations in the containers within the 19-day-long test period. Field tests of the diffusion samplers were conducted in 15 wells constructed of 2- or 2.5-inch-diameter polyvinyl chloride pipe with 10-foot-long slotted screens. Concentrations of perchlorate, RDX, and HMX in the diffusion samplers placed in the wells for 42 to 52 days were compared to concentrations in samples collected by low-flow pumped sampling from 53 days before to 109 days after retrieval of the diffusion samples. The results of the field tests indicate generally good agreement between the pumped and diffusion samples for concentrations of perchlorate, RDX, and HMX. The concentration differences indicate no systematic bias related to contaminant type or concentration levels.

Thermal Diffusivity Measurement for Thermal Spray Coating Attached to Substrate Using Laser Flash Method

NASA Astrophysics Data System (ADS)

Akoshima, Megumi; Tanaka, Takashi; Endo, Satoshi; Baba, Tetsuya; Harada, Yoshio; Kojima, Yoshitaka; Kawasaki, Akira; Ono, Fumio

2011-11-01

Ceramic-based thermal barrier coatings are used as heat and wear shields of gas turbine blades. There is a strong need to evaluate the thermal conductivity of coating for thermal design and use. The thermal conductivity of a bulk material is obtained as the product of thermal diffusivity, specific heat capacity, and density above room temperature in many cases. Thermal diffusivity and thermal conductivity are unique for a given material because they are sensitive to the structure of the material. Therefore, it is important to measure them in each sample. However it is difficult to measure the thermal diffusivity and thermal conductivity of coatings because coatings are attached to substrates. In order to evaluate the thermal diffusivity of a coating attached to the substrate, we have examined the laser flash method with the multilayer model on the basis of the response function method. We carried out laser flash measurements in layered samples composed of a CoNiCrAlY bond coating and a 8YSZ top coating by thermal spraying on a Ni-based superalloy substrate. It was found that the procedure using laser flash method with the multilayer model is useful for the thermal diffusivity evaluation of a coating attached to a substrate.

Model-free and analytical EAP reconstruction via spherical polar Fourier diffusion MRI.

PubMed

Cheng, Jian; Ghosh, Aurobrata; Jiang, Tianzi; Deriche, Rachid

2010-01-01

How to estimate the diffusion Ensemble Average Propagator (EAP) from the DWI signals in q-space is an open problem in diffusion MRI field. Many methods were proposed to estimate the Orientation Distribution Function (ODF) that is used to describe the fiber direction. However, ODF is just one of the features of the EAP. Compared with ODF, EAP has the full information about the diffusion process which reflects the complex tissue micro-structure. Diffusion Orientation Transform (DOT) and Diffusion Spectrum Imaging (DSI) are two important methods to estimate the EAP from the signal. However, DOT is based on mono-exponential assumption and DSI needs a lot of samplings and very large b values. In this paper, we propose Spherical Polar Fourier Imaging (SPFI), a novel model-free fast robust analytical EAP reconstruction method, which almost does not need any assumption of data and does not need too many samplings. SPFI naturally combines the DWI signals with different b-values. It is an analytical linear transformation from the q-space signal to the EAP profile represented by Spherical Harmonics (SH). We validated the proposed methods in synthetic data, phantom data and real data. It works well in all experiments, especially for the data with low SNR, low anisotropy, and non-exponential decay.

Detection of Hepatic Fibrosis in Ex Vivo Liver Samples Using an Open-Photoacoustic-Cell Method: Feasibility Study

NASA Astrophysics Data System (ADS)

Stolik, S.; Fabila, D. A.; de la Rosa, J. M.; Escobedo, G.; Suárez-Álvarez, K.; Tomás, S. A.

2015-09-01

Design of non-invasive and accurate novel methods for liver fibrosis diagnosis has gained growing interest. Different stages of liver fibrosis were induced in Wistar rats by intraperitoneally administering different doses of carbon tetrachloride. The liver fibrosis degree was conventionally determined by means of histological examination. An open-photoacoustic-cell (OPC) technique for the assessment of liver fibrosis was developed and is reported here. The OPC technique is based on the fact that the thermal diffusivity can be accurately measured by photoacoustics taking into consideration the photoacoustic signal amplitude versus the modulation frequency. This technique measures directly the heat generated in a sample, due to non-radiative de-excitation processes, following the absorption of light. The thermal diffusivity was measured with a home-made open-photoacoustic-cell system that was specially designed to perform the measurement from ex vivo liver samples. The human liver tissue showed a significant increase in the thermal diffusivity depending on the fibrosis stage. Specifically, liver samples from rats exhibiting hepatic fibrosis showed a significantly higher value of the thermal diffusivity than for control animals.

Combining Land Use Information and Small Stream Sampling with PCR-Based Methods for Better Characterization of Diffuse Sources of Human Fecal Pollution

EPA Science Inventory

Diffuse sources of human fecal pollution allow for the direct discharge of waste into receiving waters with minimal or no treatment. Traditional culture-based methods are commonly used to characterize fecal pollution in ambient waters, however these methods do not discern between...

Semi-automated in vivo solid-phase microextraction sampling and the diffusion-based interface calibration model to determine the pharmacokinetics of methoxyfenoterol and fenoterol in rats.

PubMed

Yeung, Joanne Chung Yan; de Lannoy, Inés; Gien, Brad; Vuckovic, Dajana; Yang, Yingbo; Bojko, Barbara; Pawliszyn, Janusz

2012-09-12

In vivo solid-phase microextraction (SPME) can be used to sample the circulating blood of animals without the need to withdraw a representative blood sample. In this study, in vivo SPME in combination with liquid-chromatography tandem mass spectrometry (LC-MS/MS) was used to determine the pharmacokinetics of two drug analytes, R,R-fenoterol and R,R-methoxyfenoterol, administered as 5 mg kg(-1) i.v. bolus doses to groups of 5 rats. This research illustrates, for the first time, the feasibility of the diffusion-based calibration interface model for in vivo SPME studies. To provide a constant sampling rate as required for the diffusion-based interface model, partial automation of the SPME sampling of the analytes from the circulating blood was accomplished using an automated blood sampling system. The use of the blood sampling system allowed automation of all SPME sampling steps in vivo, except for the insertion and removal of the SPME probe from the sampling interface. The results from in vivo SPME were compared to the conventional method based on blood withdrawal and sample clean up by plasma protein precipitation. Both whole blood and plasma concentrations were determined by the conventional method. The concentrations of methoxyfenoterol and fenoterol obtained by SPME generally concur with the whole blood concentrations determined by the conventional method indicating the utility of the proposed method. The proposed diffusion-based interface model has several advantages over other kinetic calibration models for in vivo SPME sampling including (i) it does not require the addition of a standard into the sample matrix during in vivo studies, (ii) it is simple and rapid and eliminates the need to pre-load appropriate standard onto the SPME extraction phase and (iii) the calibration constant for SPME can be calculated based on the diffusion coefficient, extraction time, fiber length and radius, and size of the boundary layer. In the current study, the experimental calibration constants of 338.9±30 mm(-3) and 298.5±25 mm(-3) are in excellent agreement with the theoretical calibration constants of 307.9 mm(-3) and 316.0 mm(-3) for fenoterol and methoxyfenoterol respectively. Copyright © 2012 Elsevier B.V. All rights reserved.

Fast and accurate Monte Carlo sampling of first-passage times from Wiener diffusion models.

PubMed

Drugowitsch, Jan

2016-02-11

We present a new, fast approach for drawing boundary crossing samples from Wiener diffusion models. Diffusion models are widely applied to model choices and reaction times in two-choice decisions. Samples from these models can be used to simulate the choices and reaction times they predict. These samples, in turn, can be utilized to adjust the models' parameters to match observed behavior from humans and other animals. Usually, such samples are drawn by simulating a stochastic differential equation in discrete time steps, which is slow and leads to biases in the reaction time estimates. Our method, instead, facilitates known expressions for first-passage time densities, which results in unbiased, exact samples and a hundred to thousand-fold speed increase in typical situations. In its most basic form it is restricted to diffusion models with symmetric boundaries and non-leaky accumulation, but our approach can be extended to also handle asymmetric boundaries or to approximate leaky accumulation.

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.

Using stepped anvils to make even insulation layers in laser-heated diamond-anvil cell samples

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

Du, Zhixue; Gu, Tingting; Dobrosavljevic, Vasilije

Here, we describe a method to make even insulation layers for high-pressure laser-heated diamond-anvil cell samples using stepped anvils. Moreover, the method works for both single-sided and double-sided laser heating using solid or fluid insulation. The stepped anvils are used as matched pairs or paired with a flat culet anvil to make gasket insulation layers and not actually used at high pressures; thus, their longevity is ensured. We also compare the radial temperature gradients and Soret diffusion of iron between self-insulating samples and samples produced with stepped anvils and find that less pronounced Soret diffusion occurs in samples with evenmore » insulation layers produced by stepped anvils.« less

Using stepped anvils to make even insulation layers in laser-heated diamond-anvil cell samples

DOE PAGES

Du, Zhixue; Gu, Tingting; Dobrosavljevic, Vasilije; ...

2015-09-01

Here, we describe a method to make even insulation layers for high-pressure laser-heated diamond-anvil cell samples using stepped anvils. Moreover, the method works for both single-sided and double-sided laser heating using solid or fluid insulation. The stepped anvils are used as matched pairs or paired with a flat culet anvil to make gasket insulation layers and not actually used at high pressures; thus, their longevity is ensured. We also compare the radial temperature gradients and Soret diffusion of iron between self-insulating samples and samples produced with stepped anvils and find that less pronounced Soret diffusion occurs in samples with evenmore » insulation layers produced by stepped anvils.« less

MUTUAL DIFFUSION OF PAIRS OF RARE GASES AT DIFFERENT TEMPERATURES

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

Srivastava, B.N.; Srivastava, K.P.

1959-04-01

The eoefficient of mutual diffusion of the binary gas mixtures Ne--Ar, Ar--Krs and Ne--Kr has been determined at 0, 15, 30s and 45 C. Diffusion is allowed to take place between two diffusion bulbs through a precision capillary tube and samples of gas are withdrawn from one bulb at different times and analyzed by a differential conductivity analyzer. From the experimentally determined values of the diffusion coefficient at different temperatures the unlike interaction parameters for the above gas pairs have been calculated by two different methods on the Lennard-Jones I2:6 model. These values of the force parameters are found tomore » be in good agreement with those obtained from the usual combination rules and also from the thermal diffusion data following the method of Srivastava and Madan. These values are found to reproduce the experimental data on mutual diffusion quite satisfactorily. With Kelvin's method, these data have also been utilized to calculate the self-diffusion coefficient of neon, argons and krypton. (auth)« less

A novel grating-imaging method to measure carrier diffusion coefficient in graphene

NASA Astrophysics Data System (ADS)

Chen, Ke; Wang, Yaguo; Akinwande, Deji; Bank, Seth; Lin, Jung-Fu

Similar to carrier mobility, carrier diffusion coefficient in graphene determines the response rate of future graphene-based electronics. Here we present a simple, sensitive and non-destructive technique integrated with ultrafast pump-probe spectroscopy to measure carrier diffusion in CVD-grown graphene. In the method, the pump and the probe beams pass through the same area of a photomask with metal strips i.e. a transmission amplitude grating, and get diffracted. The diffracted light is collected by an objective lens and focused onto the sample to generate carrier density grating. Relaxation of this carrier density grating is governed by both carrier recombination and carrier diffusion in the sample. Transient transmission change of the probe beams, which reflects this relaxation process, is recorded. The measured diffusion coefficients of multilayer and monolayer CVD-grown graphene are 2000cm2/s and 10000cm2/s, respectively, comparable with the reported values of epitaxial graphene and reduced graphene. This transmission grating technique can be used to measure carrier dynamics in versatile 2D materials.

Accurate measurements of the thermal diffusivity of thin filaments by lock-in thermography

NASA Astrophysics Data System (ADS)

Salazar, Agustín; Mendioroz, Arantza; Fuente, Raquel; Celorrio, Ricardo

2010-02-01

In lock-in (modulated) thermography the lateral thermal diffusivity can be obtained from the slope of the linear relation between the phase of the surface temperature and the distance to the heating spot. However, this slope is greatly affected by heat losses, leading to an overestimation of the thermal diffusivity, especially for thin samples of poor thermal conducting materials. In this paper, we present a complete theoretical model to calculate the surface temperature of filaments heated by a focused and modulated laser beam. All heat losses have been included: conduction to the gas, convection, and radiation. Monofilaments and coated wires have been studied. Conduction to the gas has been identified as the most disturbing effect preventing from the direct use of the slope method to measure the thermal diffusivity. As a result, by keeping the sample in vacuum a slope method combining amplitude and phase can be used to obtain the accurate diffusivity value. Measurements performed in a wide variety of filaments confirm the validity of the conclusion. On the other hand, in the case of coated wires, the slope method gives an effective thermal diffusivity, which verifies the in-parallel thermal resistor model. As an application, the slope method has been used to retrieve the thermal conductivity of thin tubes by filling them with a liquid of known thermal properties.

Technique for examining biological materials using diffuse reflectance spectroscopy and the kubelka-munk function

DOEpatents

Alfano, Robert R.; Yang, Yuanlong

2003-09-02

Method and apparatus for examining biological materials using diffuse reflectance spectroscopy and the Kubelka-Munk function. In one aspect, the method is used to determine whether a tissue sample is cancerous or not and comprises the steps of (a) measuring the diffuse reflectance from the tissue sample at a first wavelength and at a second wavelength, wherein the first wavelength is a wavelength selected from the group consisting of 255-265 nm and wherein the second wavelength is a wavelength selected from the group consisting of 275-285 nm; (b) using the Kubelka-Munk function to transform the diffuse reflectance measurement obtained at the first and second wavelengths; and (c) comparing a ratio or a difference of the transformed Kubelka-Munk measurements at the first and second wavelengths to appropriate standards determine whether or not the tissue sample is cancerous. One can use the spectral profile of KMF between 250 nm to 300 nm to determine whether or not the tissue sample is cancerous or precancerous. According to the value at the first and second wavelengths determine whether or not the malignant tissue is invasive or mixed invasive and in situ or carcinoma in situ.

Evaluation of passive diffusion bag and dialysis samplers in selected wells at Hickam Air Force Base, Hawaii, July 2001

USGS Publications Warehouse

Vroblesky, Don A.; Pravecek, Tasha

2002-01-01

Field comparisons of chemical concentrations obtained from dialysis samplers, passive diffusion bag samplers, and low-flow samplers showed generally close agreement in most of the 13 wells tested during July 2001 at Hickam Air Force Base, Hawaii. The data for chloride, sulfate, iron, alkalinity, arsenic, and methane appear to show that the dialysis samplers are capable of accurately collecting a passive sample for these constituents. In general, the comparisons of volatile organic compound concentrations showed a relatively close correspondence between the two different types of diffusion samples and between the diffusion samples and the low-flow samples collected in most wells. Divergence appears to have resulted primarily from the pumping method, either producing a mixed sample or water not characteristic of aquifer water moving through the borehole under ambient conditions. The fact that alkalinity was not detected in the passive diffusion bag samplers, highly alkaline waters without volatilization loss from effervescence, which can occur when a sample is acidified for preservation. Both dialysis and passive diffusion bag samplers are relatively inexpensive and can be deployed rapidly and easily. Passive diffusion bag samplers are intended for sampling volatile organic compounds only, but dialysis samplers can be used to sample both volatile organic compounds and inorganic solutes. Regenerated cellulose dialysis samplers, however, are subject to biodegradation and probably should be deployed no sooner than 2 weeks prior to recovery. 1 U.S. Geological Survey, Columbia, South Carolina. 2 Air Florce Center for Environmental Excellence, San Antionio, Texas.

Surface Flashover of Semiconductors: A Fundamental Study

DTIC Science & Technology

1993-06-16

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

A new method for detecting, quantifying and monitoring diffuse contamination

NASA Astrophysics Data System (ADS)

Fabian, Karl; Reimann, Clemens; de Caritat, Patrice

2017-04-01

A new method is presented for detecting and quantifying diffuse contamination at the regional to continental scale. It is based on the analysis of cumulative distribution functions (CDFs) in cumulative probability (CP) plots for spatially representative datasets, preferably containing >1000 samples. Simulations demonstrate how different types of contamination influence elemental CDFs of different sample media. Contrary to common belief, diffuse contamination does not result in exceedingly high element concentrations in regional- to continental-scale datasets. Instead it produces a distinctive shift of concentrations in the background distribution of the studied element resulting in a steeper data distribution in the CP plot. Via either (1) comparing the distribution of an element in top soil samples to the distribution of the same element in bottom soil samples from the same area, taking soil forming processes into consideration, or (2) comparing the distribution of the contaminating element (e.g., Pb) to that of an element with a geochemically comparable behaviour but no contamination source (e.g., Rb or Ba in case of Pb), the relative impact of diffuse contamination on the element concentration can be estimated either graphically in the CP plot via a best fit estimate or quantitatively via a Kolmogorov-Smirnov or Cramer vonMiese test. This is demonstrated using continental-scale geochemical soil datasets from Europe, Australia, and the USA, and a regional scale dataset from Norway. Several different datasets from Europe deliver comparable results at regional to continental scales. The method is also suitable for monitoring diffuse contamination based on the statistical distribution of repeat datasets at the continental scale in a cost-effective manner.

An accelerated algorithm for discrete stochastic simulation of reaction-diffusion systems using gradient-based diffusion and tau-leaping.

PubMed

Koh, Wonryull; Blackwell, Kim T

2011-04-21

Stochastic simulation of reaction-diffusion systems enables the investigation of stochastic events arising from the small numbers and heterogeneous distribution of molecular species in biological cells. Stochastic variations in intracellular microdomains and in diffusional gradients play a significant part in the spatiotemporal activity and behavior of cells. Although an exact stochastic simulation that simulates every individual reaction and diffusion event gives a most accurate trajectory of the system's state over time, it can be too slow for many practical applications. We present an accelerated algorithm for discrete stochastic simulation of reaction-diffusion systems designed to improve the speed of simulation by reducing the number of time-steps required to complete a simulation run. This method is unique in that it employs two strategies that have not been incorporated in existing spatial stochastic simulation algorithms. First, diffusive transfers between neighboring subvolumes are based on concentration gradients. This treatment necessitates sampling of only the net or observed diffusion events from higher to lower concentration gradients rather than sampling all diffusion events regardless of local concentration gradients. Second, we extend the non-negative Poisson tau-leaping method that was originally developed for speeding up nonspatial or homogeneous stochastic simulation algorithms. This method calculates each leap time in a unified step for both reaction and diffusion processes while satisfying the leap condition that the propensities do not change appreciably during the leap and ensuring that leaping does not cause molecular populations to become negative. Numerical results are presented that illustrate the improvement in simulation speed achieved by incorporating these two new strategies.

A robust nonparametric framework for reconstruction of stochastic differential equation models

NASA Astrophysics Data System (ADS)

Rajabzadeh, Yalda; Rezaie, Amir Hossein; Amindavar, Hamidreza

2016-05-01

In this paper, we employ a nonparametric framework to robustly estimate the functional forms of drift and diffusion terms from discrete stationary time series. The proposed method significantly improves the accuracy of the parameter estimation. In this framework, drift and diffusion coefficients are modeled through orthogonal Legendre polynomials. We employ the least squares regression approach along with the Euler-Maruyama approximation method to learn coefficients of stochastic model. Next, a numerical discrete construction of mean squared prediction error (MSPE) is established to calculate the order of Legendre polynomials in drift and diffusion terms. We show numerically that the new method is robust against the variation in sample size and sampling rate. The performance of our method in comparison with the kernel-based regression (KBR) method is demonstrated through simulation and real data. In case of real dataset, we test our method for discriminating healthy electroencephalogram (EEG) signals from epilepsy ones. We also demonstrate the efficiency of the method through prediction in the financial data. In both simulation and real data, our algorithm outperforms the KBR method.

Determination of optical band gap of powder-form nanomaterials with improved accuracy

NASA Astrophysics Data System (ADS)

Ahsan, Ragib; Khan, Md. Ziaur Rahman; Basith, Mohammed Abdul

2017-10-01

Accurate determination of a material's optical band gap lies in the precise measurement of its absorption coefficients, either from its absorbance via the Beer-Lambert law or diffuse reflectance spectrum via the Kubelka-Munk function. Absorption coefficients of powder-form nanomaterials calculated from absorbance spectrum do not match those calculated from diffuse reflectance spectrum, implying the inaccuracy of the traditional optical band gap measurement method for such samples. We have modified the Beer-Lambert law and the Kubelka-Munk function with proper approximations for powder-form nanomaterials. Applying the modified method for powder-form nanomaterial samples, both absorbance and diffuse reflectance spectra yield exactly the same absorption coefficients and therefore accurately determine the optical band gap.

Non-destructive testing method for determining the solvent diffusion coefficient in the porous materials products

NASA Astrophysics Data System (ADS)

Belyaev, V. P.; Mishchenko, S. V.; Belyaev, P. S.

2018-01-01

Ensuring non-destructive testing of products in industry is an urgent task. Most of the modern methods for determining the diffusion coefficient in porous materials have been developed for bodies of a given configuration and size. This leads to the need for finished products destruction to make experimental samples from them. The purpose of this study is the development of a dynamic method that allows operatively determine the diffusion coefficient in finished products from porous materials without destroying them. The method is designed to investigate the solvents diffusion coefficient in building constructions from materials having a porous structure: brick, concrete and aerated concrete, gypsum, cement, gypsum or silicate solutions, gas silicate blocks, heat insulators, etc. A mathematical model of the method is constructed. The influence of the design and measuring device operating parameters on the method accuracy is studied. The application results of the developed method for structural porous products are presented.

Noncontact discrimination of animal and human blood with vacuum blood vessel and factors affect the discrimination

NASA Astrophysics Data System (ADS)

Zhang, Linna; Zhang, Shengzhao; Sun, Meixiu; Li, Hongxiao; Li, Yingxin; Fu, Zhigang; Guan, Yang; Li, Gang; Lin, Ling

2017-03-01

Discrimination of human and nonhuman blood is crucial for import-export ports and inspection and quarantine departments. Current methods are usually destructive, complicated and time-consuming. We had previously demonstrated that visible diffuse reflectance spectroscopy combining PLS-DA method can successfully realize human blood discrimination. In that research, the spectra were measured with the fiber probe under the surface of blood samples. However, open sampling may pollute the blood samples. Virulence factors in blood samples can also endanger inspectors. In this paper, we explored the classification effect with the blood samples measured in the original containers-vacuum blood vessel. Furthermore, we studied the impact of different conditions of blood samples, such as coagulation and hemolysis, on the prediction ability of the discrimination model. The calibration model built with blood samples in different conditions displayed a satisfactory prediction result. This research demonstrated that visible and near-infrared diffuse reflectance spectroscopy method was potential for noncontact discrimination of human blood.

Diffusion Tensor Imaging: Application to the Study of the Developing Brain

ERIC Educational Resources Information Center

Cascio, Carissa J.; Gerig, Guido; Piven, Joseph

2007-01-01

Objective: To provide an overview of diffusion tensor imaging (DTI) and its application to the study of white matter in the developing brain in both healthy and clinical samples. Method: The development of DTI and its application to brain imaging of white matter tracts is discussed. Forty-eight studies using DTI to examine diffusion properties of…

A novel flow injection chemiluminescence method for automated and miniaturized determination of phenols in smoked food samples.

PubMed

Vakh, Christina; Evdokimova, Ekaterina; Pochivalov, Aleksei; Moskvin, Leonid; Bulatov, Andrey

2017-12-15

An easily performed fully automated and miniaturized flow injection chemiluminescence (CL) method for determination of phenols in smoked food samples has been proposed. This method includes the ultrasound assisted solid-liquid extraction coupled with gas-diffusion separation of phenols from smoked food sample and analytes absorption into a NaOH solution in a specially designed gas-diffusion cell. The flow system was designed to focus on automation and miniaturization with minimal sample and reagent consumption by inexpensive instrumentation. The luminol - N-bromosuccinimide system in an alkaline medium was used for the CL determination of phenols. The limit of detection of the proposed procedure was 3·10 -8 ·molL -1 (0.01mgkg -1 ) in terms of phenol. The presented method demonstrated to be a good tool for easy, rapid and cost-effective point-of-need screening phenols in smoked food samples. Copyright © 2017 Elsevier Ltd. All rights reserved.

A multi-probe thermophoretic soot sampling system for high-pressure diffusion flames

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

Vargas, Alex M.; Gülder, Ömer L.

Optical diagnostics and physical probing of the soot processes in high pressure combustion pose challenges that are not faced in atmospheric flames. One of the preferred methods of studying soot in atmospheric flames is in situ thermophoretic sampling followed by transmission electron microscopy imaging and analysis for soot sizing and morphology. The application of this method of sampling to high pressures has been held back by various operational and mechanical problems. In this work, we describe a rotating disk multi-probe thermophoretic soot sampling system, driven by a microstepping stepper motor, fitted into a high-pressure chamber capable of producing sooting laminarmore » diffusion flames up to 100 atm. Innovative aspects of the sampling system design include an easy and precise control of the sampling time down to 2.6 ms, avoidance of the drawbacks of the pneumatic drivers used in conventional thermophoretic sampling systems, and the capability to collect ten consecutive samples in a single experimental run. Proof of principle experiments were performed using this system in a laminar diffusion flame of methane, and primary soot diameter distributions at various pressures up to 10 atm were determined. High-speed images of the flame during thermophoretic sampling were recorded to assess the influence of probe intrusion on the flow field of the flame.« less

Decoupling of rotational and translational diffusion in supercooled colloidal fluids

PubMed Central

Edmond, Kazem V.; Elsesser, Mark T.; Hunter, Gary L.; Pine, David J.; Weeks, Eric R.

2012-01-01

We use confocal microscopy to directly observe 3D translational and rotational diffusion of tetrahedral clusters, which serve as tracers in colloidal supercooled fluids. We find that as the colloidal glass transition is approached, translational and rotational diffusion decouple from each other: Rotational diffusion remains inversely proportional to the growing viscosity whereas translational diffusion does not, decreasing by a much lesser extent. We quantify the rotational motion with two distinct methods, finding agreement between these methods, in contrast with recent simulation results. The decoupling coincides with the emergence of non-Gaussian displacement distributions for translation whereas rotational displacement distributions remain Gaussian. Ultimately, our work demonstrates that as the glass transition is approached, the sample can no longer be approximated as a continuum fluid when considering diffusion. PMID:23071311

Development of a miniaturized diffusive sampler for true breathing-zone sampling and thermal desorption gas chromatographic analysis.

PubMed

Lindahl, Roger; Levin, Jan-Olof; Sundgren, Margit

2009-07-01

Exposure measurements should be performed as close as possible to the nose and mouth for a more correct assessment of exposure. User-friendly sampling equipment, with a minimum of handling before, during and after measurement, should not affect ordinary work. In diffusive (passive) sampling, no extra equipment as sampling pumps is needed, making the measurements more acceptable to the user. The diffusive samplers are normally attached on a shoulder, on a breast-pocket or on the lapel. There are, however, difficulties if true breathing-zone sampling is to be performed, since available diffusive samplers normally cannot be arranged close to the nose/mouth. The purpose of this work was to study the performance of a miniaturized tube type diffusive sampler attached to a headset for true breathing-zone sampling. The basis for this miniaturization was the Perkin Elmer ATD tube. Both the size of the tube and the amount of adsorbent was decreased for the miniaturized sampler. A special tube holder to be used with a headset was designed for the mini tube. The mini tube is thermally desorbed inside a standard PE tube. The new sampler was evaluated for the determination of styrene, both in laboratory experiments and in field measurements. As reference method, diffusive sampling with standard Perkin Elmer tubes, thermal desorption and gas chromatographic (GC) analysis was used. The sampling rate was determined to 0.356 mL min(-1) (CV 9.6%) and was not significantly affected by concentration, sampling time or relative humidity.

Measurement of Three-Dimensional Anisotropic Thermal Diffusivities for Carbon Fiber-Reinforced Plastics Using Lock-In Thermography

NASA Astrophysics Data System (ADS)

Ishizaki, Takuya; Nagano, Hosei

2015-11-01

A new measurement technique to measure the in-plane thermal diffusivity, the distribution of in-plane anisotropy, and the out-of-plane thermal diffusivity has been developed to evaluate the thermal conductivity of anisotropic materials such as carbon fiber-reinforced plastics (CFRPs). The measurements were conducted by using a laser-spot-periodic-heating method. The temperature of the sample is detected by using lock-in thermography. Thermography can analyze the phase difference between the periodic heat input and the temperature response of the sample. Two kinds of samples, unidirectional (UD) and cross-ply (CP) pitch-based CFRPs, were fabricated and tested in an atmospheric condition. All carbon fibers of the UD sample run in one direction [90°]. The carbon fibers of the CP sample run in two directions [0°/90°]. It is found that, by using lock-in thermography, it is able to visualize the thermal anisotropy and calculate the angular dependence of the in-plane thermal diffusivity of the CFRPs. The out-of-plane thermal diffusivity of CFRPs was also measured by analyzing the frequency dependence of the phase difference.

Anisotropic scene geometry resampling with occlusion filling for 3DTV applications

NASA Astrophysics Data System (ADS)

Kim, Jangheon; Sikora, Thomas

2006-02-01

Image and video-based rendering technologies are receiving growing attention due to their photo-realistic rendering capability in free-viewpoint. However, two major limitations are ghosting and blurring due to their sampling-based mechanism. The scene geometry which supports to select accurate sampling positions is proposed using global method (i.e. approximate depth plane) and local method (i.e. disparity estimation). This paper focuses on the local method since it can yield more accurate rendering quality without large number of cameras. The local scene geometry has two difficulties which are the geometrical density and the uncovered area including hidden information. They are the serious drawback to reconstruct an arbitrary viewpoint without aliasing artifacts. To solve the problems, we propose anisotropic diffusive resampling method based on tensor theory. Isotropic low-pass filtering accomplishes anti-aliasing in scene geometry and anisotropic diffusion prevents filtering from blurring the visual structures. Apertures in coarse samples are estimated following diffusion on the pre-filtered space, the nonlinear weighting of gradient directions suppresses the amount of diffusion. Aliasing artifacts from low density are efficiently removed by isotropic filtering and the edge blurring can be solved by the anisotropic method at one process. Due to difference size of sampling gap, the resampling condition is defined considering causality between filter-scale and edge. Using partial differential equation (PDE) employing Gaussian scale-space, we iteratively achieve the coarse-to-fine resampling. In a large scale, apertures and uncovered holes can be overcoming because only strong and meaningful boundaries are selected on the resolution. The coarse-level resampling with a large scale is iteratively refined to get detail scene structure. Simulation results show the marked improvements of rendering quality.

Comparison of measurement methods for benzene and toluene

NASA Astrophysics Data System (ADS)

Wideqvist, U.; Vesely, V.; Johansson, C.; Potter, A.; Brorström-Lundén, E.; Sjöberg, K.; Jonsson, T.

Diffusive sampling and active (pumped) sampling (tubes filled with Tenax TA or Carbopack B) were compared with an automatic BTX instrument (Chrompack, GC/FID) for measurements of benzene and toluene. The measurements were made during differing pollution levels and different weather conditions at a roof-top site and in a densely trafficked street canyon in Stockholm, Sweden. The BTX instrument was used as the reference method for comparison with the other methods. Considering all data the Perkin-Elmer diffusive samplers, containing Tenax TA and assuming a constant uptake rate of 0.406 cm3 min-1, showed about 30% higher benzene values compared to the BTX instrument. This discrepancy may be explained by a dose-dependent uptake rate with higher uptake rates at lower dose as suggested by laboratory experiments presented in the literature. After correction by applying the relationship between uptake rate and dose as suggested by Roche et al. (Atmos. Environ. 33 (1999) 1905), the two methods agreed almost perfectly. For toluene there was much better agreement between the two methods. No sign of a dose-dependent uptake could be seen. The mean concentrations and 95% confidence intervals of all toluene measurements (67 values) were (10.80±1.6) μg m -3 for diffusive sampling and (11.3±1.6) μg m -3 for the BTX instrument, respectively. The overall ratio between the concentrations obtained using diffusive sampling and the BTX instrument was 0.91±0.07 (95% confidence interval). Tenax TA was found to be equal to Carbopack B for measuring benzene and toluene in this concentration range, although it has been proposed not to be optimal for benzene. There was also good agreement between the active samplers and the BTX instrument.

Conservative Diffusions: a Constructive Approach to Nelson's Stochastic Mechanics.

NASA Astrophysics Data System (ADS)

Carlen, Eric Anders

In Nelson's stochastic mechanics, quantum phenomena are described in terms of diffusions instead of wave functions; this thesis is a study of that description. We emphasize that we are concerned here with the possibility of describing, as opposed to explaining, quantum phenomena in terms of diffusions. In this direction, the following questions arise: "Do the diffusions of stochastic mechanics--which are formally given by stochastic differential equations with extremely singular coefficients--really exist?" Given that they exist, one can ask, "Do these diffusions have physically reasonable sample path behavior, and can we use information about sample paths to study the behavior of physical systems?" These are the questions we treat in this thesis. In Chapter I we review stochastic mechanics and diffusion theory, using the Guerra-Morato variational principle to establish the connection with the Schroedinger equation. This chapter is largely expository; however, there are some novel features and proofs. In Chapter II we settle the first of the questions raised above. Using PDE methods, we construct the diffusions of stochastic mechanics. Our result is sufficiently general to be of independent mathematical interest. In Chapter III we treat potential scattering in stochastic mechanics and discuss direct probabilistic methods of studying quantum scattering problems. Our results provide a solid "Yes" in answer to the second question raised above.

Near-infrared diffuse reflection systems for chlorophyll content of tomato leaves measurement

NASA Astrophysics Data System (ADS)

Jiang, Huanyu; Ying, Yibin; Lu, Huishan

2006-10-01

In this study, two measuring systems for chlorophyll content of tomato leaves were developed based on near-infrared spectral techniques. The systems mainly consists of a FT-IR spectrum analyzer, optic fiber diffuses reflection accessories and data card. Diffuse reflectance of intact tomato leaves was measured by an optics fiber optic fiber diffuses reflection accessory and a smart diffuses reflection accessory. Calibration models were developed from spectral and constituent measurements. 90 samples served as the calibration sets and 30 samples served as the validation sets. Partial least squares (PLS) and principal component regression (PCR) technique were used to develop the prediction models by different data preprocessing. The best model for chlorophyll content had a high correlation efficient of 0.9348 and a low standard error of prediction RMSEP of 4.79 when we select full range (12500-4000 cm -1), MSC path length correction method by the log(1/R). The results of this study suggest that FT-NIR method can be feasible to detect chlorophyll content of tomato leaves rapidly and nondestructively.

Preliminary assessment of using tree-tissue analysis and passive-diffusion samplers to evaluate trichloroethene contamination of ground water at Site SS-34N, McChord Air Force Base, Washington, 2001

USGS Publications Warehouse

Cox, S.E.

2002-01-01

Two low-cost innovative sampling procedures for characterizing trichloroethene (TCE) contamination in ground water were evaluated for use at McChord Air Force Base (AFB) by the U.S. Geological Survey, in cooperation with the U.S. Air Force McChord Air Force Base Installation Restoration Program, in 2001. Previous attempts to characterize the source of ground-water contamination in the heterogeneous glacial outwash aquifer at McChord site SS-34N using soil-gas surveys, direct-push exploration, and more than a dozen ground-water monitoring wells have had limited success. The procedures assessed in this study involved analysis of tree-tissue samples to map underlying ground-water contamination and deploying passive-diffusion samplers to measure TCE concentrations in existing monitoring wells. These procedures have been used successfully at other U.S. Department of Defense sites and have resulted in cost avoidance and accelerated site characterization. Despite the presence of TCE in ground water at site SS-34N, TCE was not detected in any of the 20 trees sampled at the site during either early spring or late summer sampling. The reason the tree tissue procedure was not successful at the McChord AFB site SS-34N may have been due to an inability of tree roots to extract moisture from a water table 30 feet below the land surface, or that concentrations of TCE in ground water were not large enough to be detectable in the tree tissue at the sampling point. Passive-diffusion samplers were placed near the top, middle, and bottom of screened intervals in three monitoring wells and TCE was observed in all samplers. Concentrations of TCE from the passive-diffusion samplers were generally similar to concentrations found in samples collected in the same wells using conventional pumping methods. In contrast to conventional pumping methods, the collection of ground-water samples using the passive-diffusion samples did not generate waste purge water that would require hazardous-waste disposal. In addition, the results from the passive-diffusion samples may show that TCE concentrations are stratified across some screened intervals. The overall results of the limited test of passive-diffusion samplers at site SS-34N were similar to more detailed tests conducted at other contaminated sites across the country and indicate that further evaluation of the use of passive-diffusion samplers at McChord site SS-34N is warranted.

NMR-based diffusion pore imaging by double wave vector measurements.

PubMed

Kuder, Tristan Anselm; Laun, Frederik Bernd

2013-09-01

One main interest of nuclear magnetic resonance (NMR) diffusion experiments is the investigation of boundaries such as cell membranes hindering the diffusion process. NMR diffusion measurements allow collecting the signal from the whole sample. This mainly eliminates the problem of vanishing signal at increasing resolution. It has been a longstanding question if, in principle, the exact shape of closed pores can be determined by NMR diffusion measurements. In this work, we present a method using short diffusion gradient pulses only, which is able to reveal the shape of arbitrary closed pores without relying on a priori knowledge. In comparison to former approaches, the method has reduced demands on relaxation times due to faster convergence to the diffusion long-time limit and allows for a more flexible NMR sequence design, because, e.g., stimulated echoes can be used. Copyright © 2012 Wiley Periodicals, Inc.

Orientationally invariant metrics of apparent compartment eccentricity from double pulsed field gradient diffusion experiments.

PubMed

Jespersen, Sune Nørhøj; Lundell, Henrik; Sønderby, Casper Kaae; Dyrby, Tim B

2013-12-01

Pulsed field gradient diffusion sequences (PFG) with multiple diffusion encoding blocks have been indicated to offer new microstructural tissue information, such as the ability to detect nonspherical compartment shapes in macroscopically isotropic samples, i.e. samples with negligible directional signal dependence on diffusion gradients in standard diffusion experiments. However, current acquisition schemes are not rotationally invariant in the sense that the derived metrics depend on the orientation of the sample, and are affected by the interplay of sampling directions and compartment orientation dispersion when applied to macroscopically anisotropic systems. Here we propose a new framework, the d-PFG 5-design, to enable rotationally invariant estimation of double wave vector diffusion metrics (d-PFG). The method is based on the idea that an appropriate orientational average of the signal emulates the signal from a powder preparation of the same sample, where macroscopic anisotropy is absent by construction. Our approach exploits the theory of exact numerical integration (quadrature) of polynomials on the rotation group, and we exemplify the general procedure with a set consisting of 60 pairs of diffusion wave vectors (the d-PFG 5-design) facilitating a theoretically exact determination of the fourth order Taylor or cumulant expansion of the orientationally averaged signal. The d-PFG 5-design is evaluated with numerical simulations and ex vivo high field diffusion MRI experiments in a nonhuman primate brain. Specifically, we demonstrate rotational invariance when estimating compartment eccentricity, which we show offers new microstructural information, complementary to that of fractional anisotropy (FA) from diffusion tensor imaging (DTI). The imaging observations are supported by a new theoretical result, directly relating compartment eccentricity to FA of individual pores. Copyright © 2013 John Wiley & Sons, Ltd.

Quantitative validation of a nonlinear histology-MRI coregistration method using Generalized Q-sampling Imaging in complex human cortical white matter

PubMed Central

Gangolli, Mihika; Holleran, Laurena; Kim, Joong Hee; Stein, Thor D.; Alvarez, Victor; McKee, Ann C.; Brody, David L.

2017-01-01

Advanced diffusion MRI methods have recently been proposed for detection of pathologies such as traumatic axonal injury and chronic traumatic encephalopathy which commonly affect complex cortical brain regions. However, radiological-pathological correlations in human brain tissue that detail the relationship between the multi-component diffusion signal and underlying pathology are lacking. We present a nonlinear voxel based two dimensional coregistration method that is useful for matching diffusion signals to quantitative metrics of high resolution histological images. When validated in ex vivo human cortical tissue at a 250 × 250 × 500 micron spatial resolution, the method proved robust in correlations between generalized q-sampling imaging and histologically based white matter fiber orientations, with r = 0.94 for the primary fiber direction and r = 0.88 for secondary fiber direction in each voxel. Importantly, however, the correlation was substantially worse with reduced spatial resolution or with fiber orientations derived using a diffusion tensor model. Furthermore, we have detailed a quantitative histological metric of white matter fiber integrity termed power coherence capable of distinguishing between architecturally complex but intact white matter from disrupted white matter regions. These methods may allow for more sensitive and specific radiological-pathological correlations of neurodegenerative diseases affecting complex gray and white matter. PMID:28365421

Constraining Gas Diffusivity-Soil Water Content Relationships in Forest Soils Using Surface Chamber Fluxes and Depth Profiles of Multiple Trace Gases

NASA Astrophysics Data System (ADS)

Dore, J. E.; Kaiser, K.; Seybold, E. C.; McGlynn, B. L.

2012-12-01

Forest soils are sources of carbon dioxide (CO2) to the atmosphere and can act as either sources or sinks of methane (CH4) and nitrous oxide (N2O), depending on redox conditions and other factors. Soil moisture is an important control on microbial activity, redox conditions and gas diffusivity. Direct chamber measurements of soil-air CO2 fluxes are facilitated by the availability of sensitive, portable infrared sensors; however, corresponding CH4 and N2O fluxes typically require the collection of time-course physical samples from the chamber with subsequent analyses by gas chromatography (GC). Vertical profiles of soil gas concentrations may also be used to derive CH4 and N2O fluxes by the gradient method; this method requires much less time and many fewer GC samples than the direct chamber method, but requires that effective soil gas diffusivities are known. In practice, soil gas diffusivity is often difficult to accurately estimate using a modeling approach. In our study, we apply both the chamber and gradient methods to estimate soil trace gas fluxes across a complex Rocky Mountain forested watershed in central Montana. We combine chamber flux measurements of CO2 (by infrared sensor) and CH4 and N2O (by GC) with co-located soil gas profiles to determine effective diffusivity in soil for each gas simultaneously, over-determining the diffusion equations and providing constraints on both the chamber and gradient methodologies. We then relate these soil gas diffusivities to soil type and volumetric water content in an effort to arrive at empirical parameterizations that may be used to estimate gas diffusivities across the watershed, thereby facilitating more accurate, frequent and widespread gradient-based measurements of trace gas fluxes across our study system. Our empirical approach to constraining soil gas diffusivity is well suited for trace gas flux studies over complex landscapes in general.

Destructive and non-destructive evaluation of cu/cu diffusion bonding with interlayer aluminum

NASA Astrophysics Data System (ADS)

Santosh Kumar, A.; Mohan, T.; Kumar, S. Suresh; Ravisankar, B.

2018-03-01

The current study is established an inspection procedure for assessing quality of diffusion bonded joints using destructive and non-destructive method. Diffusion bonding of commercially pure copper with aluminium interlayer was carried out uniaxial load at 15MPa for different temperatures under holding time 60 min in vacuum atmosphere. The bond qualities were determined by destructive and non-destructive testing method (ultrasonic C- scan). The bond interface and bonded samples were analysed using optical and scanning electron microscopy (SEM). The element composition of the fractured and bonded area is determined using the Energy Dispersive Spectrometry (EDS). The bond quality obtained by both testing methods and its parameters are correlated. The optimized bonding parameter for best bonding characteristics for copper diffusion bonding with aluminum interlayer is reported.

A technique to measure the thermal diffusivity of high Tc superconductors

NASA Technical Reports Server (NTRS)

Powers, Charles E.

1991-01-01

High T(sub c) superconducting electrical current leads and ground straps will be used in cryogenic coolers in future NASA Goddard Space Flight Center missions. These superconducting samples are long, thin leads with a typical diameter of two millimeters. A longitudinal method is developed to measure the thermal diffusivity of candidate materials for this application. This technique uses a peltier junction to supply an oscillatory heat wave into one end of a sample and will use low mass thermocouples to follow the heat wave along the sample. The thermal diffusivity is calculated using both the exponential decay of the heat wave and the phase shift to the wave. Measurements are performed in a cryostat between 10 K and room temperature.

Measurement and Modeling of Water-Vapor Diffusion in Elastomers with Impact in Humidity and Vacuum Measurements

NASA Astrophysics Data System (ADS)

Šetina, Janez; Sefa, Makfir; Erjavec, Bojan; Hudoklin, Domen

2013-03-01

The dynamics of water-vapor dissolution in Viton O-rings is measured with a gravimetric method using a precise mass comparator. A sample gasket was degassed in high vacuum for a sufficiently long period to remove more than 99 % of the dissolved water vapor. After that, it was exposed to the ambient atmosphere with a controlled temperature, and relative humidity and water-vapor uptake curves were measured gravimetrically with a precise balance. The dynamics of a water-vapor release into vacuum from another sample that was previously saturated with water vapor at room temperature was determined. The sample was placed in a vacuum outgassing rate measurement apparatus. The time dependence of the evolved water vapor was calculated by integrating the measured outgassing rate. The physical process of water absorption can be described by the diffusion equation. The geometry of the samples required solving the diffusion equation in cylindrical coordinates. This was done numerically using a finite-difference method. As a result of the modeling, room temperature values of the diffusion constant D, the solubility s, and the permeability K = D× s of water vapor in the sample material (Viton A-401C) were obtained. For sample 1, we obtained D = 8.0 × 10 ^{-8} cm2 {\\cdot } s^{-1} and s = 6.5 × 10^{-7} g {\\cdot } cm^-3 Pa^{-1}, while for sample 2, D = 3.0 × 10^{-7} cm2 s^{-1} and s = 3.5 × 10^{-7} g {\\cdot } cm^{-3} {\\cdot } Pa^{-1}.

Augmentation of oxygen transport by various hemoglobins as determined by pulsed field gradient NMR.

PubMed

Budhiraja, Vikas; Hellums, J David; Post, Jan F M

2002-11-01

Diffusion of oxyhemoglobin has been shown to augment the oxygen transport inside the red blood cells. Measurement of hemoglobin diffusion coefficients by pulsed-field gradient (PFG) nuclear magnetic resonance (NMR) technique can be used for estimating this augmentation effect. Self-diffusion coefficients of polymerized and unpolymerized bovine hemoglobin (Hb) and several other proteins were measured using this technique. The Hb diffusion coefficient was used to determine the effective permeability of oxygen and augmentation of oxygen transport through samples of Hb solutions due to diffusion of oxyhemoglobin. The values compared well with our previous diffusion cell measurements of effective diffusivity and augmentation. Our NMR studies show that even at low concentrations the augmentation of oxygen transport due to diffusion can be significant. The PFG NMR technique can thus provide an accurate and easy method for measuring augmentation of oxygen transport, especially in dilute samples of Hb. The results on polyhemoglobin and high-molecular-weight hemoglobin are of both basic interest and practical value in assessing the promise and performance of hemoglobin-based blood substitutes.

Comparison of no-purge and pumped sampling methods for monitoring concentrations of ordnance-related compounds in groundwater, Camp Edwards, Massachusetts Military Reservation, Cape Cod, Massachusetts, 2009-2010

USGS Publications Warehouse

Savoie, Jennifer G.; LeBlanc, Denis R.

2012-01-01

Field tests were conducted near the Impact Area at Camp Edwards on the Massachusetts Military Reservation, Cape Cod, Massachusetts, to determine the utility of no-purge groundwater sampling for monitoring concentrations of ordnance-related explosive compounds and perchlorate in the sand and gravel aquifer. The no-purge methods included (1) a diffusion sampler constructed of rigid porous polyethylene, (2) a diffusion sampler constructed of regenerated-cellulose membrane, and (3) a tubular grab sampler (bailer) constructed of polyethylene film. In samples from 36 monitoring wells, concentrations of perchlorate (ClO4-), hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), the major contaminants of concern in the Impact Area, in the no-purge samples were compared to concentrations of these compounds in samples collected by low-flow pumped sampling with dedicated bladder pumps. The monitoring wells are constructed of 2- and 2.5-inch-diameter polyvinyl chloride pipe and have approximately 5- to 10-foot-long slotted screens. The no-purge samplers were left in place for 13-64 days to ensure that ambient groundwater flow had flushed the well screen and concentrations in the screen represented water in the adjacent formation. The sampling methods were compared first in six monitoring wells. Concentrations of ClO4-, RDX, and HMX in water samples collected by the three no-purge sampling methods and low-flow pumped sampling were in close agreement for all six monitoring wells. There is no evidence of a systematic bias in the concentration differences among the methods on the basis of type of sampling device, type of contaminant, or order in which the no-purge samplers were tested. A subsequent examination of vertical variations in concentrations of ClO4- in the 10-foot-long screens of six wells by using rigid porous polyethylene diffusion samplers indicated that concentrations in a given well varied by less than 15 percent and the small variations were unlikely to affect the utility of the various sampling methods. The grab sampler was selected for additional tests in 29 of the 36 monitoring wells used during the study. Concentrations of ClO4-, RDX, HMX, and other minor explosive compounds in water samples collected by using a 1-liter grab sampler and low-flow pumped sampling were in close agreement in field tests in the 29 wells. A statistical analysis based on the sign test indicated that there was no bias in the concentration differences between the methods. There also was no evidence for a systematic bias in concentration differences between the methods related to location of the monitoring wells laterally or vertically in the groundwater-flow system. Field tests in five wells also demonstrated that sample collection by using a 2-liter grab sampler and sequential bailing with the 1-liter grab sampler were options for obtaining sufficient sample volume for replicate and spiked quality assurance and control samples. The evidence from the field tests supports the conclusion that diffusion sampling with the rigid porous polyethylene and regenerated-cellulose membranes and grab sampling with the polyethylene-film samplers provide comparable data on the concentrations of ordnance-related compounds in groundwater at the MMR to that obtained by low-flow pumped sampling. These sampling methods are useful methods for monitoring these compounds at the MMR and in similar hydrogeologic environments.

A novel active-passive sampling approach for measuring time-averaged concentrations of pollutants in water.

PubMed

Amato, Elvio D; Covaci, Adrian; Town, Raewyn M; Hereijgers, Jonas; Bellekens, Ben; Giacometti, Valentina; Breugelmans, Tom; Weyn, Maarten; Dardenne, Freddy; Bervoets, Lieven; Blust, Ronny

2018-06-14

Passive sampling with in situ devices offers several advantages over traditional sampling methods (i.e., discrete spot sampling), however, data interpretation from conventional passive samplers is hampered by difficulties in estimating the thickness of the diffusion layer at the sampler/medium interface (δ), often leading to inaccurate determinations of target analyte concentrations. In this study, the performance of a novel device combining active and passive sampling was investigated in the laboratory. The active-passive sampling (APS) device is comprised of a diffusion cell fitted with a pump and a flowmeter. Three receiving phases traditionally used in passive sampling devices (i.e., chelex resin, Oasis HLB, and silicone rubber), were incorporated in the diffusion cell and allowed the simultaneous accumulation of cationic metals, polar, and non-polar organic compounds, respectively. The flow within the diffusion cell was accurately controlled and monitored, and, combined with diffusion coefficients measurements, enabled the average δ to be estimated. Strong agreement between APS and time-averaged total concentrations measured in discrete water samples was found for most of the substances investigated. Accuracies for metals ranged between 87 and 116%, except Cu and Pb (∼50%), whilst accuracies between 64 and 101%, and 92 and 151% were achieved for polar and non-polar organic compounds, respectively. These results indicate that, via a well-defined in situ preconcentration step, the proposed APS approach shows promise for monitoring the concentration of a range of pollutants in water. Copyright © 2018 Elsevier Ltd. All rights reserved.

A serological procedure for identifying strains of Germmeniella abietina.

Treesearch

Darroll D. Skilling; Mariann Kienzler

1983-01-01

This manual gives detailed laboratory serology procedures necessary to determine the identity of isolates of Gremmeniela abientina by the gel double diffusion method. The process is described from the arrival of the field sample to the reading of the precipitin bands on the diffusion plates.

Light distribution modulated diffuse reflectance spectroscopy.

PubMed

Huang, Pin-Yuan; Chien, Chun-Yu; Sheu, Chia-Rong; Chen, Yu-Wen; Tseng, Sheng-Hao

2016-06-01

Typically, a diffuse reflectance spectroscopy (DRS) system employing a continuous wave light source would need to acquire diffuse reflectances measured at multiple source-detector separations for determining the absorption and reduced scattering coefficients of turbid samples. This results in a multi-fiber probe structure and an indefinite probing depth. Here we present a novel DRS method that can utilize a few diffuse reflectances measured at one source-detector separation for recovering the optical properties of samples. The core of innovation is a liquid crystal (LC) cell whose scattering property can be modulated by the bias voltage. By placing the LC cell between the light source and the sample, the spatial distribution of light in the sample can be varied as the scattering property of the LC cell modulated by the bias voltage, and this would induce intensity variation of the collected diffuse reflectance. From a series of Monte Carlo simulations and phantom measurements, we found that this new light distribution modulated DRS (LDM DRS) system was capable of accurately recover the absorption and scattering coefficients of turbid samples and its probing depth only varied by less than 3% over the full bias voltage variation range. Our results suggest that this LDM DRS platform could be developed to various low-cost, efficient, and compact systems for in-vivo superficial tissue investigation.

Light distribution modulated diffuse reflectance spectroscopy

PubMed Central

Huang, Pin-Yuan; Chien, Chun-Yu; Sheu, Chia-Rong; Chen, Yu-Wen; Tseng, Sheng-Hao

2016-01-01

Typically, a diffuse reflectance spectroscopy (DRS) system employing a continuous wave light source would need to acquire diffuse reflectances measured at multiple source-detector separations for determining the absorption and reduced scattering coefficients of turbid samples. This results in a multi-fiber probe structure and an indefinite probing depth. Here we present a novel DRS method that can utilize a few diffuse reflectances measured at one source-detector separation for recovering the optical properties of samples. The core of innovation is a liquid crystal (LC) cell whose scattering property can be modulated by the bias voltage. By placing the LC cell between the light source and the sample, the spatial distribution of light in the sample can be varied as the scattering property of the LC cell modulated by the bias voltage, and this would induce intensity variation of the collected diffuse reflectance. From a series of Monte Carlo simulations and phantom measurements, we found that this new light distribution modulated DRS (LDM DRS) system was capable of accurately recover the absorption and scattering coefficients of turbid samples and its probing depth only varied by less than 3% over the full bias voltage variation range. Our results suggest that this LDM DRS platform could be developed to various low-cost, efficient, and compact systems for in-vivo superficial tissue investigation. PMID:27375931

Minority carrier diffusion lengths and absorption coefficients in silicon sheet material

NASA Technical Reports Server (NTRS)

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

1980-01-01

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

COMPARISON OF SAMPLING METHODS FOR SEMI-VOLATILE ORGANIC CARBON (SVOC) ASSOCIATED WITH PM 2.5

EPA Science Inventory

This study evaluates the influence of denuder sampling methods and filter collection media on the measurement of semi-volatile organic carbon (SVOC) associated with PM2.5. Two types of collection media, charcoal (activated carbon) and XAD, were used both in diffusion denuders ...

COMPARISON OF SAMPLING METHODS FOR SEMI-VOLATILE ORGANIC CARBON ASSOCIATED WITH PM 2.5

EPA Science Inventory

This study evaluates the influence of denuder sampling methods and filter collection media on the measurement of semi-volatile organic carbon (SVOC) associated with PM2.5. Two types of collection media, charcoal (activated carbon) and XAD, were used both in diffusion denuders ...

A New Technique for Measuring Concentration Dependence of Self and Collective Diffusivity by using a Single Sample

NASA Astrophysics Data System (ADS)

Sirorattanakul, Krittanon; Shen, Chong; Ou-Yang, Daniel

Diffusivity governs the dynamics of interacting particles suspended in a solvent. At high particle concentration, the interactions between particles become non-negligible, making the values of self and collective diffusivity diverge and concentration-dependent. Conventional methods for measuring this dependency, such as forced Rayleigh scattering, fluorescence correlation spectroscopy (FCS), and dynamic light scattering (DLS) require preparation of multiple samples. We present a new technique to measure this dependency by using only a single sample. Dielectrophoresis (DEP) is used to create concentration gradient in the solution. Across this concentration distribution, we use FCS to measure the concentration-dependent self diffusivity. Then, we switch off DEP to allow the particles to diffuse back to equilibrium. We obtain the time series of concentration distribution from fluorescence microscopy and use them to determine the concentration-dependent collective diffusivity. We compare the experimental results with computer simulations to verify the validity of this technique. Time and spatial resolution limits of FCS and imaging are also analyzed to estimate the limitation of the proposed technique. NSF DMR-0923299, Lehigh College of Arts and Sciences Undergraduate Research Grant, Lehigh Department of Physics, Emulsion Polymers Institute.

Determination of uronic acids in isolated hemicelluloses from kenaf using diffuse reflectance infrared fourier transform spectroscopy (DRIFTS) and the curve-fitting deconvolution method.

PubMed

Batsoulis, A N; Nacos, M K; Pappas, C S; Tarantilis, P A; Mavromoustakos, T; Polissiou, M G

2004-02-01

Hemicellulose samples were isolated from kenaf (Hibiscus cannabinus L.). Hemicellulosic fractions usually contain a variable percentage of uronic acids. The uronic acid content (expressed in polygalacturonic acid) of the isolated hemicelluloses was determined by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and the curve-fitting deconvolution method. A linear relationship between uronic acids content and the sum of the peak areas at 1745, 1715, and 1600 cm(-1) was established with a high correlation coefficient (0.98). The deconvolution analysis using the curve-fitting method allowed the elimination of spectral interferences from other cell wall components. The above method was compared with an established spectrophotometric method and was found equivalent for accuracy and repeatability (t-test, F-test). This method is applicable in analysis of natural or synthetic mixtures and/or crude substances. The proposed method is simple, rapid, and nondestructive for the samples.

Thermal properties of nonstoichiometry uranium dioxide

NASA Astrophysics Data System (ADS)

Kavazauri, R.; Pokrovskiy, S. A.; Baranov, V. G.; Tenishev, A. V.

2016-04-01

In this paper, was developed a method of oxidation pure uranium dioxide to a predetermined deviation from the stoichiometry. Oxidation was carried out using the thermogravimetric method on NETZSCH STA 409 CD with a solid electrolyte galvanic cell for controlling the oxygen potential of the environment. 4 samples uranium oxide were obtained with a different ratio of oxygen-to-metal: O / U = 2.002, O / U = 2.005, O / U = 2.015, O / U = 2.033. For the obtained samples were determined basic thermal characteristics of the heat capacity, thermal diffusivity, thermal conductivity. The error of heat capacity determination is equal to 5%. Thermal diffusivity and thermal conductivity of the samples decreased with increasing deviation from stoichiometry. For the sample with O / M = 2.033, difference of both values with those of stoichiometric uranium dioxide is close to 50%.

The Measurement of Thermal Diffusivity in Conductor and Insulator by Photodeflection Technique

NASA Astrophysics Data System (ADS)

Achathongsuk, U.; Rittidach, T.; Tipmonta, P.; Kijamnajsuk, P.; Chotikaprakhan, S.

2017-09-01

The purpose of this study is to estimate thermal diffusivities of high thermal diffusivity bulk material as well as low thermal diffusivity bulk material by using many types of fluid such as Ethyl alcohol and water. This method is studied by measuring amplitude and phase of photodeflection signal in various frequency modulations. The experimental setup consists of two laser lines: 1) a pump laser beams through a modulator, varied frequency, controlled by lock-in amplifier and focused on sample surface by lens. 2) a probe laser which parallels with the sample surface and is perpendicular to the pump laser beam. The probe laser deflection signal is obtained by a position sensor which controlled by lock-in amplifier. Thermal diffusivity is calculated by measuring the amplitude and phase of the photodeflection signal and compared with the thermal diffusivity of a standard value. The thermal diffusivity of SGG agrees well with the literature but the thermal diffusivity of Cu is less than the literature value by a factor of ten. The experiment requires further improvement to measure the thermal diffusivity of Cu. However, we succeed in using ethyl alcohol as the coupling medium instead of CCl4 which is highly toxic.

Rapid exploration of configuration space with diffusion-map-directed molecular dynamics.

PubMed

Zheng, Wenwei; Rohrdanz, Mary A; Clementi, Cecilia

2013-10-24

The gap between the time scale of interesting behavior in macromolecular systems and that which our computational resources can afford often limits molecular dynamics (MD) from understanding experimental results and predicting what is inaccessible in experiments. In this paper, we introduce a new sampling scheme, named diffusion-map-directed MD (DM-d-MD), to rapidly explore molecular configuration space. The method uses a diffusion map to guide MD on the fly. DM-d-MD can be combined with other methods to reconstruct the equilibrium free energy, and here, we used umbrella sampling as an example. We present results from two systems: alanine dipeptide and alanine-12. In both systems, we gain tremendous speedup with respect to standard MD both in exploring the configuration space and reconstructing the equilibrium distribution. In particular, we obtain 3 orders of magnitude of speedup over standard MD in the exploration of the configurational space of alanine-12 at 300 K with DM-d-MD. The method is reaction coordinate free and minimally dependent on a priori knowledge of the system. We expect wide applications of DM-d-MD to other macromolecular systems in which equilibrium sampling is not affordable by standard MD.

Rapid Exploration of Configuration Space with Diffusion Map-directed-Molecular Dynamics

PubMed Central

Zheng, Wenwei; Rohrdanz, Mary A.; Clementi, Cecilia

2013-01-01

The gap between the timescale of interesting behavior in macromolecular systems and that which our computational resources can afford oftentimes limits Molecular Dynamics (MD) from understanding experimental results and predicting what is inaccessible in experiments. In this paper, we introduce a new sampling scheme, named Diffusion Map-directed-MD (DM-d-MD), to rapidly explore molecular configuration space. The method uses diffusion map to guide MD on the fly. DM-d-MD can be combined with other methods to reconstruct the equilibrium free energy, and here we used umbrella sampling as an example. We present results from two systems: alanine dipeptide and alanine-12. In both systems we gain tremendous speedup with respect to standard MD both in exploring the configuration space and reconstructing the equilibrium distribution. In particular, we obtain 3 orders of magnitude of speedup over standard MD in the exploration of the configurational space of alanine-12 at 300K with DM-d-MD. The method is reaction coordinate free and minimally dependent on a priori knowledge of the system. We expect wide applications of DM-d-MD to other macromolecular systems in which equilibrium sampling is not affordable by standard MD. PMID:23865517

Diffusion of nitrogen oxides and oxygenated volatile organic compounds through snow

NASA Astrophysics Data System (ADS)

Bartels-Rausch, T.; Ammann, M.; Schneebeli, M.; Riche, F.; Wren, S. N.

2013-12-01

Release of trace gases from surface snow on Earth drives atmospheric chemistry, especially in the Polar Regions. The exchange of atmospheric trace gases between snow or firn and atmosphere can also determine how these species are incorporated into glacial ice, which serves as archive. At low wind conditions, such fluxes between the porous surface snow and the overlaying atmosphere are driven by diffusion through the interstitial air. Here we present results from two laboratory studies where we looked at how the structure of the snowpack, the interaction of the trace gases with the snow surface, and the grain boundaries influence the diffusion of NO, NO2, HONO, methanol, and acetone on time scales up to 1 h. The diffusion through a snow sample was the direct observable of the experiments. Results for different snow types are presented, the structures of which were analysed by means of X-ray computed micro-tomography. Grain boundary content was quantified in one sample using a stereological method. The observed diffusion profiles were very well reproduced in simulations based on gas-phase diffusion and the known structure of the snow sample at temperatures above 253 K. At colder temperatures surface interactions start to dominate the diffusion. Parameterizing these in terms of adsorption to the solid ice surface gave much better agreement to the observations than the use of air - liquid partitioning coefficients. This is a central result as field and modelling studies have indicated that the partitioning to liquid water might describe the diffusion through snow much better even at cold temperatures. This will be discussed using our recent results from surface sensitive spectroscopy experiments. No changes in the diffusion was observed by increasing the number of grain boundaries in the snow sample by a factor of 7.

Thermal Property Measurement of Semiconductor Melt using Modified Laser Flash Method

NASA Technical Reports Server (NTRS)

Lin, Bochuan; Zhu, Shen; Ban, Heng; Li, Chao; Scripa, Rosalla N.; Su, Ching-Hua; Lehoczky, Sandor L.

2003-01-01

This study further developed standard laser flash method to measure multiple thermal properties of semiconductor melts. The modified method can determine thermal diffusivity, thermal conductivity, and specific heat capacity of the melt simultaneously. The transient heat transfer process in the melt and its quartz container was numerically studied in detail. A fitting procedure based on numerical simulation results and the least root-mean-square error fitting to the experimental data was used to extract the values of specific heat capacity, thermal conductivity and thermal diffusivity. This modified method is a step forward from the standard laser flash method, which is usually used to measure thermal diffusivity of solids. The result for tellurium (Te) at 873 K: specific heat capacity 300.2 Joules per kilogram K, thermal conductivity 3.50 Watts per meter K, thermal diffusivity 2.04 x 10(exp -6) square meters per second, are within the range reported in literature. The uncertainty analysis showed the quantitative effect of sample geometry, transient temperature measured, and the energy of the laser pulse.

Measurement of Passive Uptake Rates for Volatile Organic Compounds on Commercial Thermal Desorption Tubes and the Effect of Ozone on Sampling

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

Maddalena, Randy; Parra, Amanda; Russell, Marion

Diffusive or passive sampling methods using commercially filled axial-sampling thermal desorption tubes are widely used for measuring volatile organic compounds (VOCs) in air. The passive sampling method provides a robust, cost effective way to measure air quality with time-averaged concentrations spanning up to a week or more. Sampling rates for VOCs can be calculated using tube geometry and Fick’s Law for ideal diffusion behavior or measured experimentally. There is evidence that uptake rates deviate from ideal and may not be constant over time. Therefore, experimentally measured sampling rates are preferred. In this project, a calibration chamber with a continuous stirredmore » tank reactor design and constant VOC source was combined with active sampling to generate a controlled dynamic calibration environment for passive samplers. The chamber air was augmented with a continuous source of 45 VOCs ranging from pentane to diethyl phthalate representing a variety of chemical classes and physiochemical properties. Both passive and active samples were collected on commercially filled Tenax TA thermal desorption tubes over an 11-day period and used to calculate passive sampling rates. A second experiment was designed to determine the impact of ozone on passive sampling by using the calibration chamber to passively load five terpenes on a set of Tenax tubes and then exposing the tubes to different ozone environments with and without ozone scrubbers attached to the tube inlet. During the sampling rate experiment, the measured diffusive uptake was constant for up to seven days for most of the VOCs tested but deviated from linearity for some of the more volatile compounds between seven and eleven days. In the ozone experiment, both exposed and unexposed tubes showed a similar decline in terpene mass over time indicating back diffusion when uncapped tubes were transferred to a clean environment but there was no indication of significant loss by ozone reaction.« less

Joint 6D k-q Space Compressed Sensing for Accelerated High Angular Resolution Diffusion MRI.

PubMed

Cheng, Jian; Shen, Dinggang; Basser, Peter J; Yap, Pew-Thian

2015-01-01

High Angular Resolution Diffusion Imaging (HARDI) avoids the Gaussian. diffusion assumption that is inherent in Diffusion Tensor Imaging (DTI), and is capable of characterizing complex white matter micro-structure with greater precision. However, HARDI methods such as Diffusion Spectrum Imaging (DSI) typically require significantly more signal measurements than DTI, resulting in prohibitively long scanning times. One of the goals in HARDI research is therefore to improve estimation of quantities such as the Ensemble Average Propagator (EAP) and the Orientation Distribution Function (ODF) with a limited number of diffusion-weighted measurements. A popular approach to this problem, Compressed Sensing (CS), affords highly accurate signal reconstruction using significantly fewer (sub-Nyquist) data points than required traditionally. Existing approaches to CS diffusion MRI (CS-dMRI) mainly focus on applying CS in the q-space of diffusion signal measurements and fail to take into consideration information redundancy in the k-space. In this paper, we propose a framework, called 6-Dimensional Compressed Sensing diffusion MRI (6D-CS-dMRI), for reconstruction of the diffusion signal and the EAP from data sub-sampled in both 3D k-space and 3D q-space. To our knowledge, 6D-CS-dMRI is the first work that applies compressed sensing in the full 6D k-q space and reconstructs the diffusion signal in the full continuous q-space and the EAP in continuous displacement space. Experimental results on synthetic and real data demonstrate that, compared with full DSI sampling in k-q space, 6D-CS-dMRI yields excellent diffusion signal and EAP reconstruction with low root-mean-square error (RMSE) using 11 times less samples (3-fold reduction in k-space and 3.7-fold reduction in q-space).

Local diffusion and diffusion-T2 distribution measurements in porous media

NASA Astrophysics Data System (ADS)

Vashaee, S.; Newling, B.; MacMillan, B.; Marica, F.; Li, M.; Balcom, B. J.

2017-05-01

Slice-selective pulsed field gradient (PFG) and PFG-T2 measurements are developed to measure spatially-resolved molecular diffusion and diffusion-T2 distributions. A spatially selective adiabatic inversion pulse was employed for slice-selection. The slice-selective pulse is able to select a coarse slice, on the order of 1 cm, at an arbitrary position in the sample. The new method can be employed to characterize oil-water mixtures in porous media. The new technique has an inherent sensitivity advantage over phase encoding imaging based methods due to signal being localized from a thick slice. The method will be advantageous for magnetic resonance of porous media at low field where sensitivity is problematic. Experimental CPMG data, following PFG diffusion measurement, were compromised by a transient ΔB0(t) field offset. The off resonance effects of ΔB0(t) were examined by simulation. The ΔB0 offset artifact in D-T2 distribution measurements may be avoided by employing real data, instead of magnitude data.

Translational diffusion coefficients of volatile compounds in various aqueous solutions at low and subzero temperatures.

PubMed

Covarrubias-Cervantes, Marco; Champion, Dominique; Debeaufort, Frédéric; Voilley, Andrée

2005-08-24

Translational diffusion coefficients (D(12)) of volatile compounds were measured in model media with the profile concentration method. The influence of sample temperature (from 25 to -10 degrees C) was studied on translational diffusion in sucrose or maltodextrin solutions at various concentrations. Results show that diffusivity of volatile compounds in sucrose solutions is controlled by temperature, molecule size, and the viscosity of the liquid phase as expected with the Stokes-Einstein equation; moreover, physicochemical interactions between volatile compounds and the medium are determinant for diffusion estimation. At negative temperature, the winding path induced by an ice crystal content of >70% lowered volatile compound diffusion. On the contrary, no influence on translational diffusion coefficients was observed for lower ice content.

Minority carrier diffusion length extraction in Cu2ZnSn(Se,S)4 solar cells

NASA Astrophysics Data System (ADS)

Gokmen, Tayfun; Gunawan, Oki; Mitzi, David B.

2013-09-01

We report measurement of minority carrier diffusion length (Ld) for high performance Cu2ZnSn(S,Se)4 (CZTSSe) solar cells in comparison with analogous Cu(In,Ga)(S,Se)2 (CIGSSe) devices. Our Ld extraction method involves performing systematic measurements of the internal quantum efficiency combined with separate capacitance-voltage measurement. This method also enables the measurement of the absorption coefficient of the absorber material as a function of wavelength in a finished device. The extracted values of Ld for CZTSSe samples are at least factor of 2 smaller than those for CIGSSe samples. Combined with minority carrier lifetime (τ) data measured by time-resolved photoluminescence, we deduce the minority carrier mobility (μe), which is also relatively low for the CZTSSe samples.

Modulated error diffusion CGHs for neural nets

NASA Astrophysics Data System (ADS)

Vermeulen, Pieter J. E.; Casasent, David P.

1990-05-01

New modulated error diffusion CGHs (computer generated holograms) for optical computing are considered. Specific attention is given to their use in optical matrix-vector, associative processor, neural net and optical interconnection architectures. We consider lensless CGH systems (many CGHs use an external Fourier transform (FT) lens), the Fresnel sampling requirements, the effects of finite CGH apertures (sample and hold inputs), dot size correction (for laser recorders), and new applications for this novel encoding method (that devotes attention to quantization noise effects).

Disentangling the stochastic behavior of complex time series

NASA Astrophysics Data System (ADS)

Anvari, Mehrnaz; Tabar, M. Reza Rahimi; Peinke, Joachim; Lehnertz, Klaus

2016-10-01

Complex systems involving a large number of degrees of freedom, generally exhibit non-stationary dynamics, which can result in either continuous or discontinuous sample paths of the corresponding time series. The latter sample paths may be caused by discontinuous events - or jumps - with some distributed amplitudes, and disentangling effects caused by such jumps from effects caused by normal diffusion processes is a main problem for a detailed understanding of stochastic dynamics of complex systems. Here we introduce a non-parametric method to address this general problem. By means of a stochastic dynamical jump-diffusion modelling, we separate deterministic drift terms from different stochastic behaviors, namely diffusive and jumpy ones, and show that all of the unknown functions and coefficients of this modelling can be derived directly from measured time series. We demonstrate appli- cability of our method to empirical observations by a data-driven inference of the deterministic drift term and of the diffusive and jumpy behavior in brain dynamics from ten epilepsy patients. Particularly these different stochastic behaviors provide extra information that can be regarded valuable for diagnostic purposes.

Lensless digital holography with diffuse illumination through a pseudo-random phase mask.

PubMed

Bernet, Stefan; Harm, Walter; Jesacher, Alexander; Ritsch-Marte, Monika

2011-12-05

Microscopic imaging with a setup consisting of a pseudo-random phase mask, and an open CMOS camera, without an imaging objective, is demonstrated. The pseudo random phase mask acts as a diffuser for an incoming laser beam, scattering a speckle pattern to a CMOS chip, which is recorded once as a reference. A sample which is afterwards inserted somewhere in the optical beam path changes the speckle pattern. A single (non-iterative) image processing step, comparing the modified speckle pattern with the previously recorded one, generates a sharp image of the sample. After a first calibration the method works in real-time and allows quantitative imaging of complex (amplitude and phase) samples in an extended three-dimensional volume. Since no lenses are used, the method is free from lens abberations. Compared to standard inline holography the diffuse sample illumination improves the axial sectioning capability by increasing the effective numerical aperture in the illumination path, and it suppresses the undesired so-called twin images. For demonstration, a high resolution spatial light modulator (SLM) is programmed to act as the pseudo-random phase mask. We show experimental results, imaging microscopic biological samples, e.g. insects, within an extended volume at a distance of 15 cm with a transverse and longitudinal resolution of about 60 μm and 400 μm, respectively.

Foam generation and sample composition optimization for the FOAM-C experiment of the ISS

NASA Astrophysics Data System (ADS)

Carpy, R.; Picker, G.; Amann, B.; Ranebo, H.; Vincent-Bonnieu, S.; Minster, O.; Winter, J.; Dettmann, J.; Castiglione, L.; Höhler, R.; Langevin, D.

2011-12-01

End of 2009 and early 2010 a sealed cell, for foam generation and observation, has been designed and manufactured at Astrium Friedrichshafen facilities. With the use of this cell, different sample compositions of "wet foams" have been optimized for mixtures of chemicals such as water, dodecanol, pluronic, aethoxisclerol, glycerol, CTAB, SDS, as well as glass beads. This development is performed in the frame of the breadboarding development activities of the Experiment Container FOAM-C for operation in the ISS Fluid Science Laboratory (ISS). The sample cell supports multiple observation methods such as: Diffusing-Wave and Diffuse Transmission Spectrometry, Time Resolved Correlation Spectroscopy [1] and microscope observation, all of these methods are applied in the cell with a relatively small experiment volume <3cm3. These units, will be on orbit replaceable sets, that will allow multiple sample compositions processing (in the range of >40).

Kinetics and thermodynamics of gas diffusion in a NiFe hydrogenase.

PubMed

Topin, Jérémie; Rousset, Marc; Antonczak, Serge; Golebiowski, Jérôme

2012-03-01

We have investigated O₂ and H₂ transport across a NiFe hydrogenase at the atomic scale by means of computational methods. The Wild Type protein has been compared with the V74Q mutant. Two distinct methodologies have been applied to study the gas access to the active site. Temperature locally enhanced sampling simulations have emphasized the importance of protein dynamics on gas diffusion. The O₂ diffusion free energy profiles, obtained by umbrella sampling, are in agreement with the known kinetic data and show that in the V74Q mutant, the inhibition process is lowered from both a kinetic and a thermodynamic point of view. Copyright © 2011 Wiley Periodicals, Inc.

[Study on brand traceability of vinegar based on near infrared spectroscopy technology].

PubMed

Guan, Xiao; Liu, Jing; Gu, Fang-Qing; Yang, Yong-Jian

2014-09-01

In the present paper, 152 vinegar samples with four different brands were chosen as research targets, and their near infrared spectra were collected by diffusion reflection mode and transmission mode, respectively. Furthermore, the brand traceability models for edible vinegar were constructed. The effects of the collection mode and pretreatment methods of spectrum on the precision of traceability models were investigated intensively. The models constructed by PLS1-DA modeling method using spectrum data of 114 training samples were applied to predict 38 test samples, and R2, RMSEC and RMSEP of the model based on transmission mode data were 0.92, 0.113 and 0.127, respectively, with recognition rate of 76.32%, and those based on diffusion reflection mode data were 0.97, 0.102 and 0.119, with recognition rate of 86.84%. The results demonstrated that the near infrared spectrum combined with PLS1-DA can be used to establish the brand traceability models for edible vinegar, and diffuse reflection mode is more beneficial for predictive ability of the model.

A Simple and Accurate Method To Calculate Free Energy Profiles and Reaction Rates from Restrained Molecular Simulations of Diffusive Processes.

PubMed

Ovchinnikov, Victor; Nam, Kwangho; Karplus, Martin

2016-08-25

A method is developed to obtain simultaneously free energy profiles and diffusion constants from restrained molecular simulations in diffusive systems. The method is based on low-order expansions of the free energy and diffusivity as functions of the reaction coordinate. These expansions lead to simple analytical relationships between simulation statistics and model parameters. The method is tested on 1D and 2D model systems; its accuracy is found to be comparable to or better than that of the existing alternatives, which are briefly discussed. An important aspect of the method is that the free energy is constructed by integrating its derivatives, which can be computed without need for overlapping sampling windows. The implementation of the method in any molecular simulation program that supports external umbrella potentials (e.g., CHARMM) requires modification of only a few lines of code. As a demonstration of its applicability to realistic biomolecular systems, the method is applied to model the α-helix ↔ β-sheet transition in a 16-residue peptide in implicit solvent, with the reaction coordinate provided by the string method. Possible modifications of the method are briefly discussed; they include generalization to multidimensional reaction coordinates [in the spirit of the model of Ermak and McCammon (Ermak, D. L.; McCammon, J. A. J. Chem. Phys. 1978, 69, 1352-1360)], a higher-order expansion of the free energy surface, applicability in nonequilibrium systems, and a simple test for Markovianity. In view of the small overhead of the method relative to standard umbrella sampling, we suggest its routine application in the cases where umbrella potential simulations are appropriate.

Thermal diffusivity measurement in thin metallic filaments using the mirage method with multiple probe beams and a digital camera

NASA Astrophysics Data System (ADS)

Vargas, E.; Cifuentes, A.; Alvarado, S.; Cabrera, H.; Delgado, O.; Calderón, A.; Marín, E.

2018-02-01

Photothermal beam deflection is a well-established technique for measuring thermal diffusivity. In this technique, a pump laser beam generates temperature variations on the surface of the sample to be studied. These variations transfer heat to the surrounding medium, which may be air or any other fluid. The medium in turn experiences a change in the refractive index, which will be proportional to the temperature field on the sample surface when the distance to this surface is small. A probe laser beam will suffer a deflection due to the refractive index periodical changes, which is usually monitored by means of a quadrant photodetector or a similar device aided by lock-in amplification. A linear relationship that arises in this technique is that given by the phase lag of the thermal wave as a function of the distance to a punctual heat source when unidimensional heat diffusion can be guaranteed. This relationship is useful in the calculation of the sample's thermal diffusivity, which can be obtained straightforwardly by the so-called slope method, if the pump beam modulation frequency is well-known. The measurement procedure requires the experimenter to displace the probe beam at a given distance from the heat source, measure the phase lag at that offset, and repeat this for as many points as desired. This process can be quite lengthy in dependence of the number points. In this paper, we propose a detection scheme, which overcomes this limitation and simplifies the experimental setup using a digital camera that substitutes all detection hardware utilizing motion detection techniques and software digital signal lock-in post-processing. In this work, the method is demonstrated using thin metallic filaments as samples.

Thermal diffusivity measurement in thin metallic filaments using the mirage method with multiple probe beams and a digital camera.

PubMed

Vargas, E; Cifuentes, A; Alvarado, S; Cabrera, H; Delgado, O; Calderón, A; Marín, E

2018-02-01

Photothermal beam deflection is a well-established technique for measuring thermal diffusivity. In this technique, a pump laser beam generates temperature variations on the surface of the sample to be studied. These variations transfer heat to the surrounding medium, which may be air or any other fluid. The medium in turn experiences a change in the refractive index, which will be proportional to the temperature field on the sample surface when the distance to this surface is small. A probe laser beam will suffer a deflection due to the refractive index periodical changes, which is usually monitored by means of a quadrant photodetector or a similar device aided by lock-in amplification. A linear relationship that arises in this technique is that given by the phase lag of the thermal wave as a function of the distance to a punctual heat source when unidimensional heat diffusion can be guaranteed. This relationship is useful in the calculation of the sample's thermal diffusivity, which can be obtained straightforwardly by the so-called slope method, if the pump beam modulation frequency is well-known. The measurement procedure requires the experimenter to displace the probe beam at a given distance from the heat source, measure the phase lag at that offset, and repeat this for as many points as desired. This process can be quite lengthy in dependence of the number points. In this paper, we propose a detection scheme, which overcomes this limitation and simplifies the experimental setup using a digital camera that substitutes all detection hardware utilizing motion detection techniques and software digital signal lock-in post-processing. In this work, the method is demonstrated using thin metallic filaments as samples.

Preparation and Thermal Characterization of Annealed Gold Coated Porous Silicon.

PubMed

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

2012-01-16

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

Interface morphology of Mo/Si multilayer systems with varying Mo layer thickness studied by EUV diffuse scattering.

PubMed

Haase, Anton; Soltwisch, Victor; Braun, Stefan; Laubis, Christian; Scholze, Frank

2017-06-26

We investigate the influence of the Mo-layer thickness on the EUV reflectance of Mo/Si mirrors with a set of unpolished and interface-polished Mo/Si/C multilayer mirrors. The Mo-layer thickness is varied in the range from 1.7 nm to 3.05 nm. We use a novel combination of specular and diffuse intensity measurements to determine the interface roughness throughout the multilayer stack and do not rely on scanning probe measurements at the surface only. The combination of EUV and X-ray reflectivity measurements and near-normal incidence EUV diffuse scattering allows to reconstruct the Mo layer thicknesses and to determine the interface roughness power spectral density. The data analysis is conducted by applying a matrix method for the specular reflection and the distorted-wave Born approximation for diffuse scattering. We introduce the Markov-chain Monte Carlo method into the field in order to determine the respective confidence intervals for all reconstructed parameters. We unambiguously detect a threshold thickness for Mo in both sample sets where the specular reflectance goes through a local minimum correlated with a distinct increase in diffuse scatter. We attribute that to the known appearance of an amorphous-to-crystallization transition at a certain thickness threshold which is altered in our sample system by the polishing.

Simultaneous measurement for thermal conductivity, diffusivity, and specific heat of methane hydrate bearing sediments recovered from Nankai-Trough wells

NASA Astrophysics Data System (ADS)

Muraoka, M.; Ohtake, M.; Susuki, N.; Yamamoto, Y.; Suzuki, K.; Tsuji, T.

2014-12-01

This study presents the results of the measurements of the thermal constants of natural methane-hydrate-bearing sediments samples recovered from the Tokai-oki test wells (Nankai-Trough, Japan) in 2004. The thermal conductivity, thermal diffusivity, and specific heat of the samples were simultaneously determined using the hot-disk transient method. The thermal conductivity of natural hydrate-bearing sediments decreases slightly with increasing porosity. In addition, the thermal diffusivity of hydrate-bearing sediment decrease as porosity increases. We also used simple models to calculate the thermal conductivity and thermal diffusivity. The results of the distribution model (geometric-mean model) are relatively consistent with the measurement results. In addition, the measurement results are consistent with the thermal diffusivity, which is estimated by dividing the thermal conductivity obtained from the distribution model by the specific heat obtained from the arithmetic mean. In addition, we discuss the relation between the thermal conductivity and mineral composition of core samples in conference. Acknowledgments. This work was financially supported by MH21 Research Consortium for Methane Hydrate Resources in Japan on the National Methane Hydrate Exploitation Program planned by the Ministry of Economy, Trade and Industry.

Kalman filter parameter estimation for a nonlinear diffusion model of epithelial cell migration using stochastic collocation and the Karhunen-Loeve expansion.

PubMed

Barber, Jared; Tanase, Roxana; Yotov, Ivan

2016-06-01

Several Kalman filter algorithms are presented for data assimilation and parameter estimation for a nonlinear diffusion model of epithelial cell migration. These include the ensemble Kalman filter with Monte Carlo sampling and a stochastic collocation (SC) Kalman filter with structured sampling. Further, two types of noise are considered -uncorrelated noise resulting in one stochastic dimension for each element of the spatial grid and correlated noise parameterized by the Karhunen-Loeve (KL) expansion resulting in one stochastic dimension for each KL term. The efficiency and accuracy of the four methods are investigated for two cases with synthetic data with and without noise, as well as data from a laboratory experiment. While it is observed that all algorithms perform reasonably well in matching the target solution and estimating the diffusion coefficient and the growth rate, it is illustrated that the algorithms that employ SC and KL expansion are computationally more efficient, as they require fewer ensemble members for comparable accuracy. In the case of SC methods, this is due to improved approximation in stochastic space compared to Monte Carlo sampling. In the case of KL methods, the parameterization of the noise results in a stochastic space of smaller dimension. The most efficient method is the one combining SC and KL expansion. Copyright © 2016 Elsevier Inc. All rights reserved.

Fiber estimation and tractography in diffusion MRI: Development of simulated brain images and comparison of multi-fiber analysis methods at clinical b-values

PubMed Central

Wilkins, Bryce; Lee, Namgyun; Gajawelli, Niharika; Law, Meng; Leporé, Natasha

2015-01-01

Advances in diffusion-weighted magnetic resonance imaging (DW-MRI) have led to many alternative diffusion sampling strategies and analysis methodologies. A common objective among methods is estimation of white matter fiber orientations within each voxel, as doing so permits in-vivo fiber-tracking and the ability to study brain connectivity and networks. Knowledge of how DW-MRI sampling schemes affect fiber estimation accuracy, and consequently tractography and the ability to recover complex white-matter pathways, as well as differences between results due to choice of analysis method and which method(s) perform optimally for specific data sets, all remain important problems, especially as tractography-based studies become common. In this work we begin to address these concerns by developing sets of simulated diffusion-weighted brain images which we then use to quantitatively evaluate the performance of six DW-MRI analysis methods in terms of estimated fiber orientation accuracy, false-positive (spurious) and false-negative (missing) fiber rates, and fiber-tracking. The analysis methods studied are: 1) a two-compartment “ball and stick” model (BSM) (Behrens et al., 2003); 2) a non-negativity constrained spherical deconvolution (CSD) approach (Tournier et al., 2007); 3) analytical q-ball imaging (QBI) (Descoteaux et al., 2007); 4) q-ball imaging with Funk-Radon and Cosine Transform (FRACT) (Haldar and Leahy, 2013); 5) q-ball imaging within constant solid angle (CSA) (Aganj et al., 2010); and 6) a generalized Fourier transform approach known as generalized q-sampling imaging (GQI) (Yeh et al., 2010). We investigate these methods using 20, 30, 40, 60, 90 and 120 evenly distributed q-space samples of a single shell, and focus on a signal-to-noise ratio (SNR = 18) and diffusion-weighting (b = 1000 s/mm2) common to clinical studies. We found the BSM and CSD methods consistently yielded the least fiber orientation error and simultaneously greatest detection rate of fibers. Fiber detection rate was found to be the most distinguishing characteristic between the methods, and a significant factor for complete recovery of tractography through complex white-matter pathways. For example, while all methods recovered similar tractography of prominent white matter pathways of limited fiber crossing, CSD (which had the highest fiber detection rate, especially for voxels containing three fibers) recovered the greatest number of fibers and largest fraction of correct tractography for a complex three-fiber crossing region. The synthetic data sets, ground-truth, and tools for quantitative evaluation are publically available on the NITRC website as the project “Simulated DW-MRI Brain Data Sets for Quantitative Evaluation of Estimated Fiber Orientations” at http://www.nitrc.org/projects/sim_dwi_brain PMID:25555998

Fiber estimation and tractography in diffusion MRI: development of simulated brain images and comparison of multi-fiber analysis methods at clinical b-values.

PubMed

Wilkins, Bryce; Lee, Namgyun; Gajawelli, Niharika; Law, Meng; Leporé, Natasha

2015-04-01

Advances in diffusion-weighted magnetic resonance imaging (DW-MRI) have led to many alternative diffusion sampling strategies and analysis methodologies. A common objective among methods is estimation of white matter fiber orientations within each voxel, as doing so permits in-vivo fiber-tracking and the ability to study brain connectivity and networks. Knowledge of how DW-MRI sampling schemes affect fiber estimation accuracy, tractography and the ability to recover complex white-matter pathways, differences between results due to choice of analysis method, and which method(s) perform optimally for specific data sets, all remain important problems, especially as tractography-based studies become common. In this work, we begin to address these concerns by developing sets of simulated diffusion-weighted brain images which we then use to quantitatively evaluate the performance of six DW-MRI analysis methods in terms of estimated fiber orientation accuracy, false-positive (spurious) and false-negative (missing) fiber rates, and fiber-tracking. The analysis methods studied are: 1) a two-compartment "ball and stick" model (BSM) (Behrens et al., 2003); 2) a non-negativity constrained spherical deconvolution (CSD) approach (Tournier et al., 2007); 3) analytical q-ball imaging (QBI) (Descoteaux et al., 2007); 4) q-ball imaging with Funk-Radon and Cosine Transform (FRACT) (Haldar and Leahy, 2013); 5) q-ball imaging within constant solid angle (CSA) (Aganj et al., 2010); and 6) a generalized Fourier transform approach known as generalized q-sampling imaging (GQI) (Yeh et al., 2010). We investigate these methods using 20, 30, 40, 60, 90 and 120 evenly distributed q-space samples of a single shell, and focus on a signal-to-noise ratio (SNR = 18) and diffusion-weighting (b = 1000 s/mm(2)) common to clinical studies. We found that the BSM and CSD methods consistently yielded the least fiber orientation error and simultaneously greatest detection rate of fibers. Fiber detection rate was found to be the most distinguishing characteristic between the methods, and a significant factor for complete recovery of tractography through complex white-matter pathways. For example, while all methods recovered similar tractography of prominent white matter pathways of limited fiber crossing, CSD (which had the highest fiber detection rate, especially for voxels containing three fibers) recovered the greatest number of fibers and largest fraction of correct tractography for complex three-fiber crossing regions. The synthetic data sets, ground-truth, and tools for quantitative evaluation are publically available on the NITRC website as the project "Simulated DW-MRI Brain Data Sets for Quantitative Evaluation of Estimated Fiber Orientations" at http://www.nitrc.org/projects/sim_dwi_brain. Copyright © 2014 Elsevier Inc. All rights reserved.

Diffusion and drive-point sampling to detect ordnance-related compounds in shallow ground water beneath Snake Pond, Cape Cod, Massachusetts, 2001-02

USGS Publications Warehouse

LeBlanc, Denis R.

2003-01-01

Diffusion samplers and temporary drive points were used to test for ordnance-related compounds in ground water discharging to Snake Pond near Camp Edwards at the Massachusetts Military Reservation, Cape Cod, MA. The contamination resulted from artillery use and weapons testing at various ranges upgradient of the pond.The diffusion samplers were constructed with a high-grade cellulose membrane that allowed diffusion of explosive compounds, such as RDX (Hexahydro-1,3,5-trinitro-1,3,5-triazine) and HMX (Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), into deionized water inside the samplers. Laboratory tests confirmed that the cellulose membrane was permeable to RDX and HMX. One transect of 22 diffusion samplers was installed and retrieved in August-September 2001, and 12 transects with a total of 108 samplers were installed and retrieved in September-October 2001. The diffusion samplers were buried about 0.5 feet into the pond-bottom sediments by scuba divers and allowed to equilibrate with the ground water beneath the pond bottom for 13 to 27 days before retrieval. Water samples were collected from temporary well points driven about 2-4 feet into the pond bottom at 21 sites in December 2001 and March 2002 for analysis of explosives and perchlorate to confirm the diffusion-sampling results. The water samples from the diffusion samplers exhibited numerous chromatographic peaks, but evaluation of the photo-diode-array spectra indicated that most of the peaks did not represent the target compounds. The peaks probably are associated with natural organic compounds present in the soft, organically enriched pond-bottom sediments. The presence of four explosive compounds at five widely spaced sites was confirmed by the photo-diode-array analysis, but the compounds are not generally found in contaminated ground water near the ranges. No explosives were detected in water samples obtained from the drive points. Perchlorate was detected at less than 1 microgram per liter in two drive-point samples collected at the same site on two dates about 3 months apart. The source of the perchlorate in the samples could not be related directly to other contamination from Camp Edwards with the available information. The results from the diffusion and drive-point sampling do not indicate an area of ground-water discharge with concentrations of the ordnance-related compounds that are sufficiently elevated to be detected by these sampling methods. The diffusion and drive-point sampling data cannot be interpreted further without additional information concerning the pattern of ground-water flow at Snake Pond and the distributions of RDX, HMX, and perchlorate in ground water in the aquifer near the pond.

Estimation of Phonon and Carrier Thermal Conductivities for Bulk Thermoelectric Materials Using Transport Properties

NASA Astrophysics Data System (ADS)

Otsuka, Mioko; Homma, Ryoei; Hasegawa, Yasuhiro

2017-05-01

The phonon and carrier thermal conductivities of thermoelectric materials were calculated using the Wiedemann-Franz law, Boltzmann equation, and a method we propose in this study called the Debye specific heat method. We prepared polycrystalline n-type doped bismuth telluride (BiTe) and bismuth antimony (BiSb) bulk alloy samples and measured six parameters (Seebeck coefficient, resistivity, thermal conductivity, thermal diffusivity, magneto-resistivity, and Hall coefficient). The carrier density and mobility were estimated for calculating the carrier thermal conductivity by using the Boltzmann equation. In the Debye specific heat method, the phonon thermal diffusivity, and thermal conductivity were calculated from the temperature dependence of the effective specific heat by using not only the measured thermal conductivity and Debye model, but also the measured thermal diffusivity. The carrier thermal conductivity was also evaluated from the phonon thermal conductivity by using the specific heat. The ratio of carrier thermal conductivity to thermal conductivity was evaluated for the BiTe and BiSb samples, and the values obtained using the Debye specific heat method at 300 K were 52% for BiTe and <5.5% for BiSb. These values are either considerably larger or smaller than those obtained using other methods. The Dulong-Petit law was applied to validate the Debye specific heat method at 300 K, which is significantly greater than the Debye temperature of the BiTe and BiSb samples, and it was confirmed that the phonon specific heat at 300 K has been accurately reproduced using our proposed method.

Use of solid phase extraction (SPE) to evaluate in vitro skin permeation of aescin.

PubMed

Montenegro, L; Carbone, C; Giannone, I; Puglisi, G

2007-05-01

The aim of this work was to evaluate the feasibility of assessing aescin in vitro permeation through human skin by determining the amount of aescin permeated using conventional HPLC procedures after extraction of skin permeation samples by means of solid phase extraction (SPE). Aescin in vitro skin permeation was assessed from aqueous solutions and gels using both Franz-type diffusion cells and flow-through diffusion cells. The SPE method used was highly accurate (mean accuracy 99.66%), highly reproducible (intra-day and inter-day variations lower than 2.3% and 2.2%, respectively) and aescin recovery from normal saline was greater than 99%. The use of Franz-type diffusion cells did not allow us to determine aescin flux values through excised human skin, therefore aescin skin permeation parameters could be calculated only using flow-through diffusion cells. Plotting the cumulative amount of aescin permeated as a function of time, linear relationships were obtained from both aqueous solution and gel using flow-through diffusion cells. Aescin flux values through excised human skin from aqueous gel were significantly lower than those observed from aqueous solution (p < 0.05). Calculating aescin percutaneous absorption parameters we evidenced that aescin partition coefficient was lower from the aqueous gel with respect to the aqueous solution. Therefore, the SPE method used in this study was suitable to determine aescin in vitro skin permeation parameters from aqueous solutions and gels using a conventional HPLC method for the analysis of the skin permeation samples.

The Impact of Quality Assurance Assessment on Diffusion Tensor Imaging Outcomes in a Large-Scale Population-Based Cohort

PubMed Central

Roalf, David R.; Quarmley, Megan; Elliott, Mark A.; Satterthwaite, Theodore D.; Vandekar, Simon N.; Ruparel, Kosha; Gennatas, Efstathios D.; Calkins, Monica E.; Moore, Tyler M.; Hopson, Ryan; Prabhakaran, Karthik; Jackson, Chad T.; Verma, Ragini; Hakonarson, Hakon; Gur, Ruben C.; Gur, Raquel E.

2015-01-01

Background Diffusion tensor imaging (DTI) is applied in investigation of brain biomarkers for neurodevelopmental and neurodegenerative disorders. However, the quality of DTI measurements, like other neuroimaging techniques, is susceptible to several confounding factors (e.g. motion, eddy currents), which have only recently come under scrutiny. These confounds are especially relevant in adolescent samples where data quality may be compromised in ways that confound interpretation of maturation parameters. The current study aims to leverage DTI data from the Philadelphia Neurodevelopmental Cohort (PNC), a sample of 1,601 youths ages of 8–21 who underwent neuroimaging, to: 1) establish quality assurance (QA) metrics for the automatic identification of poor DTI image quality; 2) examine the performance of these QA measures in an external validation sample; 3) document the influence of data quality on developmental patterns of typical DTI metrics. Methods All diffusion-weighted images were acquired on the same scanner. Visual QA was performed on all subjects completing DTI; images were manually categorized as Poor, Good, or Excellent. Four image quality metrics were automatically computed and used to predict manual QA status: Mean voxel intensity outlier count (MEANVOX), Maximum voxel intensity outlier count (MAXVOX), mean relative motion (MOTION) and temporal signal-to-noise ratio (TSNR). Classification accuracy for each metric was calculated as the area under the receiver-operating characteristic curve (AUC). A threshold was generated for each measure that best differentiated visual QA status and applied in a validation sample. The effects of data quality on sensitivity to expected age effects in this developmental sample were then investigated using the traditional MRI diffusion metrics: fractional anisotropy (FA) and mean diffusivity (MD). Finally, our method of QA is compared to DTIPrep. Results TSNR (AUC=0.94) best differentiated Poor data from Good and Excellent data. MAXVOX (AUC=0.88) best differentiated Good from Excellent DTI data. At the optimal threshold, 88% of Poor data and 91% Good/Excellent data were correctly identified. Use of these thresholds on a validation dataset (n=374) indicated high accuracy. In the validation sample 83% of Poor data and 94% of Excellent data was identified using thresholds derived from the training sample. Both FA and MD were affected by the inclusion of poor data in an analysis of age, sex and race in a matched comparison sample. In addition, we show that the inclusion of poor data results in significant attenuation of the correlation between diffusion metrics (FA and MD) and age during a critical neurodevelopmental period. We find higher correspondence between our QA method and DTIPrep for Poor data, but we find our method to be more robust for apparently high-quality images. Conclusion Automated QA of DTI can facilitate large-scale, high-throughput quality assurance by reliably identifying both scanner and subject induced imaging artifacts. The results present a practical example of the confounding effects of artifacts on DTI analysis in a large population-based sample, and suggest that estimates of data quality should not only be reported but also accounted for in data analysis, especially in studies of development. PMID:26520775

Atomic diffusion in laser surface modified AISI H13 steel

NASA Astrophysics Data System (ADS)

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

2013-07-01

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

Indispensable finite time corrections for Fokker-Planck equations from time series data.

PubMed

Ragwitz, M; Kantz, H

2001-12-17

The reconstruction of Fokker-Planck equations from observed time series data suffers strongly from finite sampling rates. We show that previously published results are degraded considerably by such effects. We present correction terms which yield a robust estimation of the diffusion terms, together with a novel method for one-dimensional problems. We apply these methods to time series data of local surface wind velocities, where the dependence of the diffusion constant on the state variable shows a different behavior than previously suggested.

Massively parallel diffuse optical tomography

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

Sandusky, John V.; Pitts, Todd A.

Diffuse optical tomography systems and methods are described herein. In a general embodiment, the diffuse optical tomography system comprises a plurality of sensor heads, the plurality of sensor heads comprising respective optical emitter systems and respective sensor systems. A sensor head in the plurality of sensors heads is caused to act as an illuminator, such that its optical emitter system transmits a transillumination beam towards a portion of a sample. Other sensor heads in the plurality of sensor heads act as observers, detecting portions of the transillumination beam that radiate from the sample in the fields of view of themore » respective sensory systems of the other sensor heads. Thus, sensor heads in the plurality of sensors heads generate sensor data in parallel.« less

Note: Focus error detection device for thermal expansion-recovery microscopy (ThERM).

PubMed

Domené, E A; Martínez, O E

2013-01-01

An innovative focus error detection method is presented that is only sensitive to surface curvature variations, canceling both thermoreflectance and photodefelection effects. The detection scheme consists of an astigmatic probe laser and a four-quadrant detector. Nonlinear curve fitting of the defocusing signal allows the retrieval of a cutoff frequency, which only depends on the thermal diffusivity of the sample and the pump beam size. Therefore, a straightforward retrieval of the thermal diffusivity of the sample is possible with microscopic lateral resolution and high axial resolution (~100 pm).

Time-weighted average sampling of airborne propylene glycol ethers by a solid-phase microextraction device.

PubMed

Shih, H C; Tsai, S W; Kuo, C H

2012-01-01

A solid-phase microextraction (SPME) device was used as a diffusive sampler for airborne propylene glycol ethers (PGEs), including propylene glycol monomethyl ether (PGME), propylene glycol monomethyl ether acetate (PGMEA), and dipropylene glycol monomethyl ether (DPGME). Carboxen-polydimethylsiloxane (CAR/PDMS) SPME fiber was selected for this study. A polytetrafluoroethylene (PTFE) tubing was used as the holder, and the SPME fiber assembly was inserted into the tubing as a diffusive sampler. The diffusion path length and area of the sampler were 0.3 cm and 0.00086 cm(2), respectively. The theoretical sampling constants at 30°C and 1 atm for PGME, PGMEA, and DPGME were 1.50 × 10(-2), 1.23 × 10(-2) and 1.14 × 10(-2) cm(3) min(-1), respectively. For evaluations, known concentrations of PGEs around the threshold limit values/time-weighted average with specific relative humidities (10% and 80%) were generated both by the air bag method and the dynamic generation system, while 15, 30, 60, 120, and 240 min were selected as the time periods for vapor exposures. Comparisons of the SPME diffusive sampling method to Occupational Safety and Health Administration (OSHA) organic Method 99 were performed side-by-side in an exposure chamber at 30°C for PGME. A gas chromatography/flame ionization detector (GC/FID) was used for sample analysis. The experimental sampling constants of the sampler at 30°C were (6.93 ± 0.12) × 10(-1), (4.72 ± 0.03) × 10(-1), and (3.29 ± 0.20) × 10(-1) cm(3) min(-1) for PGME, PGMEA, and DPGME, respectively. The adsorption of chemicals on the stainless steel needle of the SPME fiber was suspected to be one of the reasons why significant differences between theoretical and experimental sampling rates were observed. Correlations between the results for PGME from both SPME device and OSHA organic Method 99 were linear (r = 0.9984) and consistent (slope = 0.97 ± 0.03). Face velocity (0-0.18 m/s) also proved to have no effects on the sampler. However, the effects of temperature and humidity have been observed. Therefore, adjustments of experimental sampling constants at different environmental conditions will be necessary.

Modelling of discrete TDS-spectrum of hydrogen desorption

NASA Astrophysics Data System (ADS)

Rodchenkova, Natalia I.; Zaika, Yury V.

2015-12-01

High concentration of hydrogen in metal leads to hydrogen embrittlement. One of the methods to evaluate the hydrogen content is the method of thermal desorption spectroscopy (TDS). As the sample is heated under vacuumization, atomic hydrogen diffuses inside the bulk and is desorbed from the surface in the molecular form. The extraction curve (measured by a mass-spectrometric analyzer) is recorded. In experiments with monotonous external heating it is observed that background hydrogen fluxes from the extractor walls and fluxes from the sample cannot be reliably distinguished. Thus, the extraction curve is doubtful. Therefore, in this case experimenters use discrete TDS-spectrum: the sample is removed from the analytical part of the device for the specified time interval, and external temperature is then increased stepwise. The paper is devoted to the mathematical modelling and simulation of experimental studies. In the corresponding boundary-value problem with nonlinear dynamic boundary conditions physical- chemical processes in the bulk and on the surface are taken into account: heating of the sample, diffusion in the bulk, hydrogen capture by defects, penetration from the bulk to the surface and desorption. The model aimed to analyze the dynamics of hydrogen concentrations without preliminary artificial sample saturation. Numerical modelling allows to choose the point on the extraction curve that corresponds to the initial quantity of the surface hydrogen, to estimate the values of the activation energies of diffusion, desorption, parameters of reversible capture and hydride phase decomposition.

Broadening of polymer chromatographic signals: Analysis, quantification and correction through effective diffusion coefficients.

PubMed

Suárez, Inmaculada; Coto, Baudilio

2015-08-14

Average molecular weights and polydispersity indexes are some of the most important parameters considered in the polymer characterization. Usually, gel permeation chromatography (GPC) and multi angle light scattering (MALS) are used for this determination, but GPC values are overestimated due to the dispersion introduced by the column separation. Several procedures were proposed to correct such effect usually involving more complex calibration processes. In this work, a new method of calculation has been considered including diffusion effects. An equation for the concentration profile due to diffusion effects along the GPC column was considered to be a Fickian function and polystyrene narrow standards were used to determine effective diffusion coefficients. The molecular weight distribution function of mono and poly disperse polymers was interpreted as a sum of several Fickian functions representing a sample formed by only few kind of polymer chains with specific molecular weight and diffusion coefficient. Proposed model accurately fit the concentration profile along the whole elution time range as checked by the computed standard deviation. Molecular weights obtained by this new method are similar to those obtained by MALS or traditional GPC while polydispersity index values are intermediate between those obtained by the traditional GPC combined to Universal Calibration method and the MALS method. Values for Pearson and Lin coefficients shows improvement in the correlation of polydispersity index values determined by GPC and MALS methods when diffusion coefficients and new methods are used. Copyright © 2015 Elsevier B.V. All rights reserved.

TrackArt: the user friendly interface for single molecule tracking data analysis and simulation applied to complex diffusion in mica supported lipid bilayers.

PubMed

Matysik, Artur; Kraut, Rachel S

2014-05-01

Single molecule tracking (SMT) analysis of fluorescently tagged lipid and protein probes is an attractive alternative to ensemble averaged methods such as fluorescence correlation spectroscopy (FCS) or fluorescence recovery after photobleaching (FRAP) for measuring diffusion in artificial and plasma membranes. The meaningful estimation of diffusion coefficients and their errors is however not straightforward, and is heavily dependent on sample type, acquisition method, and equipment used. Many approaches require advanced computing and programming skills for their implementation. Here we present TrackArt software, an accessible graphic interface for simulation and complex analysis of multiple particle paths. Imported trajectories can be filtered to eliminate spurious or corrupted tracks, and are then analyzed using several previously described methodologies, to yield single or multiple diffusion coefficients, their population fractions, and estimated errors. We use TrackArt to analyze the single-molecule diffusion behavior of a sphingolipid analog SM-Atto647N, in mica supported DOPC (1,2-dioleoyl-sn-glycero-3-phosphocholine) bilayers. Fitting with a two-component diffusion model confirms the existence of two separate populations of diffusing particles in these bilayers on mica. As a demonstration of the TrackArt workflow, we characterize and discuss the effective activation energies required to increase the diffusion rates of these populations, obtained from Arrhenius plots of temperature-dependent diffusion. Finally, TrackArt provides a simulation module, allowing the user to generate models with multiple particle trajectories, diffusing with different characteristics. Maps of domains, acting as impermeable or permeable obstacles for particles diffusing with given rate constants and diffusion coefficients, can be simulated or imported from an image. Importantly, this allows one to use simulated data with a known diffusion behavior as a comparison for results acquired using particular algorithms on actual, "natural" samples whose diffusion behavior is to be extracted. It can also serve as a tool for demonstrating diffusion principles. TrackArt is an open source, platform-independent, Matlab-based graphical user interface, and is easy to use even for those unfamiliar with the Matlab programming environment. TrackArt can be used for accurate simulation and analysis of complex diffusion data, such as diffusion in lipid bilayers, providing publication-quality formatted results.

Anisotropic thermal conductivity of thin polycrystalline oxide samples

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

Tiwari, A., E-mail: abhishektiwariiitr@gmail.com; Department of Mechanical and Aerospace Engineering, Monash University, Melbourne, VIC 3800; Boussois, K.

2013-11-15

This paper reports about the development of a modified laser-flash technique and relation to measure the in-plane thermal diffusivity of thin polycrystalline oxide samples. Thermal conductivity is then calculated with the product of diffusivity, specific heat and density. Design and operating features for evaluating in-plane thermal conductivities are described. The technique is advantageous as thin samples are not glued together to measure in-plane thermal conductivities like earlier methods reported in literature. The approach was employed to study anisotropic thermal conductivity in alumina sheet, textured kaolin ceramics and montmorillonite. Since it is rare to find in-plane thermal conductivity values for suchmore » anisotropic thin samples in literature, this technique offers a useful variant to existing techniques.« less

Evaluation of passive diffusion bag samplers, dialysis samplers, and nylon-screen samplers in selected wells at Andersen Air Force Base, Guam, March-April 2002

USGS Publications Warehouse

Vroblesky, Don A.; Joshi, Manish; Morrell, Jeff; Peterson, J.E.

2003-01-01

During March-April 2002, the U.S. Geological Survey, Earth Tech, and EA Engineering, Science, and Technology, Inc., in cooperation with the Air Force Center for Environmental Excellence, tested diffusion samplers at Andersen Air Force Base, Guam. Samplers were deployed in three wells at the Main Base and two wells at Marianas Bonins (MARBO) Annex as potential ground-water monitoring alternatives. Prior to sampler deployment, the wells were tested using a borehole flowmeter to characterize vertical flow within each well. Three types of diffusion samplers were tested: passive diffusion bag (PDB) samplers, dialysis samplers, and nylon-screen samplers. The primary volatile organic compounds (VOCs) tested in ground water at Andersen Air Force Base were trichloroethene and tetrachloroethene. In most comparisons, trichloroethene and tetrachloroethene concentrations in PDB samples closely matched concentrations in pumped samples. Exceptions were in wells where the pumping or ambient flow produced vertical translocation of water in a chemically stratified aquifer. In these wells, PDB samplers probably would be a viable alternative sampling method if they were placed at appropriate depths. In the remaining three test wells, the trichloroethene or tetrachloroethene concentrations obtained with the diffusion samplers closely matched the result from pumped sampling. Chloride concentrations in nylon-screen samplers were compared with chloride concentrations in dialysis and pumped samples to test inorganic-solute diffusion into the samplers across a range of concentrations. The test showed that the results from nylon-screen samplers might have underestimated chloride concentrations at depths with elevated chloride concentrations. The reason for the discrepancy in this investigation is unknown, but may be related to nylon-screen-mesh size, which was smaller than that used in previous investigations.

Quantifying Diffuse Contamination: Method and Application to Pb in Soil.

PubMed

Fabian, Karl; Reimann, Clemens; de Caritat, Patrice

2017-06-20

A new method for detecting and quantifying diffuse contamination at the continental to regional scale is based on the analysis of cumulative distribution functions (CDFs). It uses cumulative probability (CP) plots for spatially representative data sets, preferably containing >1000 determinations. Simulations demonstrate how different types of contamination influence elemental CDFs of different sample media. It is found that diffuse contamination is characterized by a distinctive shift of the low-concentration end of the distribution of the studied element in its CP plot. Diffuse contamination can be detected and quantified via either (1) comparing the distribution of the contaminating element to that of an element with a geochemically comparable behavior but no contamination source (e.g., Pb vs Rb), or (2) comparing the top soil distribution of an element to the distribution of the same element in subsoil samples from the same area, taking soil forming processes into consideration. Both procedures are demonstrated for geochemical soil data sets from Europe, Australia, and the U.S.A. Several different data sets from Europe deliver comparable results at different scales. Diffuse Pb contamination in surface soil is estimated to be <0.5 mg/kg for Australia, 1-3 mg/kg for Europe, and 1-2 mg/kg, or at least <5 mg/kg, for the U.S.A. The analysis presented here also allows recognition of local contamination sources and can be used to efficiently monitor diffuse contamination at the continental to regional scale.

Preparation and Thermal Characterization of Annealed Gold Coated Porous Silicon

PubMed Central

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

2012-01-01

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

Diffuse Scattering in the Icosahedral AL-Li-Cu Quasicrystal

NASA Astrophysics Data System (ADS)

Proult, A.; Donnadieu, P.; Wang, K.; Garoche, P.

1995-12-01

Electron diffraction patterns of icosahedral quasicrystals frequently exhibit diffuse scattering features. We report a detailed analysis of diffuse scattering in Al{6}Li{3}Cu (T2) quasicrystalline samples. The samples have been specifically heat-treated which allows to observe pronounced diffuse effects. Diffuse streaks are observed along the 5-fold and 2-fold symmetry axes and are elongated perpendicularly to these directions. These streaks are due to discs in the 3-dimensional reciprocal space. The diffuse disc positions are only indexable in the 6-dimensional hyperspace but the disc intensities do not agree with the ones predicted by the Cut-and-Project method. The diffuse discs we observed seem to be related to an original quasicrystalline phenomenon overlapping with the icosahedral phase. Les diagrammes de diffraction électronique des quasicristaux icosaédriques présentent fréquemment des diffusions diffuses. Nous les analysons ici en détails sur des échantillons de phase quasicristalline Al{6}Li{3}Cu (T2) traités thermiquement dans lesquels les diffusions diffuses sont trés prononcées. Les intensités diffuses forment des batônnets centrés sur des positions appartenant aux rangées réciproques d'ordre 5 et d'ordre 2 et allongés perpendiculairement à ces directions. On montre qu'il s'agit en fait de disques diffus. dans le réseau réciproque à 3 dimensions, dont les positions ne peuvent s'indexer que sur le réseau à 6 dimensions. Toutefois, les intensités ne correspondent pas à celle prédites par l'algorithme de Coupe-et-Projection. Les disques de diffusion diffuse semblent relever d'une organisation quasicristalline originale se superposant à la phase icosaédrique.

Grain boundary and triple junction diffusion in nanocrystalline copper

NASA Astrophysics Data System (ADS)

Wegner, M.; Leuthold, J.; Peterlechner, M.; Song, X.; Divinski, S. V.; Wilde, G.

2014-09-01

Grain boundary and triple junction diffusion in nanocrystalline Cu samples with grain sizes, , of ˜35 and ˜44 nm produced by spark plasma sintering were investigated by the radiotracer method using the 63Ni isotope. The measured diffusivities, Deff, are comparable with those determined previously for Ni grain boundary diffusion in well-annealed, high purity, coarse grained, polycrystalline copper, substantiating the absence of a grain size effect on the kinetic properties of grain boundaries in a nanocrystalline material at grain sizes d ≥ 35 nm. Simultaneously, the analysis predicts that if triple junction diffusion of Ni in Cu is enhanced with respect to the corresponding grain boundary diffusion rate, it is still less than 500ṡDgb within the temperature interval from 420 K to 470 K.

Transient Method for Determining Indoor Chemical Concentrations Based on SPME: Model Development and Calibration.

PubMed

Cao, Jianping; Xiong, Jianyin; Wang, Lixin; Xu, Ying; Zhang, Yinping

2016-09-06

Solid-phase microextraction (SPME) is regarded as a nonexhaustive sampling technique with a smaller extraction volume and a shorter extraction time than traditional sampling techniques and is hence widely used. The SPME sampling process is affected by the convection or diffusion effect along the coating surface, but this factor has seldom been studied. This paper derives an analytical model to characterize SPME sampling for semivolatile organic compounds (SVOCs) as well as for volatile organic compounds (VOCs) by considering the surface mass transfer process. Using this model, the chemical concentrations in a sample matrix can be conveniently calculated. In addition, the model can be used to determine the characteristic parameters (partition coefficient and diffusion coefficient) for typical SPME chemical samplings (SPME calibration). Experiments using SPME samplings of two typical SVOCs, dibutyl phthalate (DBP) in sealed chamber and di(2-ethylhexyl) phthalate (DEHP) in ventilated chamber, were performed to measure the two characteristic parameters. The experimental results demonstrated the effectiveness of the model and calibration method. Experimental data from the literature (VOCs sampled by SPME) were used to further validate the model. This study should prove useful for relatively rapid quantification of concentrations of different chemicals in various circumstances with SPME.

Sparse Bayesian Inference of White Matter Fiber Orientations from Compressed Multi-resolution Diffusion MRI

PubMed Central

Pisharady, Pramod Kumar; Duarte-Carvajalino, Julio M; Sotiropoulos, Stamatios N; Sapiro, Guillermo; Lenglet, Christophe

2017-01-01

The RubiX [1] algorithm combines high SNR characteristics of low resolution data with high spacial specificity of high resolution data, to extract microstructural tissue parameters from diffusion MRI. In this paper we focus on estimating crossing fiber orientations and introduce sparsity to the RubiX algorithm, making it suitable for reconstruction from compressed (under-sampled) data. We propose a sparse Bayesian algorithm for estimation of fiber orientations and volume fractions from compressed diffusion MRI. The data at high resolution is modeled using a parametric spherical deconvolution approach and represented using a dictionary created with the exponential decay components along different possible directions. Volume fractions of fibers along these orientations define the dictionary weights. The data at low resolution is modeled using a spatial partial volume representation. The proposed dictionary representation and sparsity priors consider the dependence between fiber orientations and the spatial redundancy in data representation. Our method exploits the sparsity of fiber orientations, therefore facilitating inference from under-sampled data. Experimental results show improved accuracy and decreased uncertainty in fiber orientation estimates. For under-sampled data, the proposed method is also shown to produce more robust estimates of fiber orientations. PMID:28845484

Sparse Bayesian Inference of White Matter Fiber Orientations from Compressed Multi-resolution Diffusion MRI.

PubMed

Pisharady, Pramod Kumar; Duarte-Carvajalino, Julio M; Sotiropoulos, Stamatios N; Sapiro, Guillermo; Lenglet, Christophe

2015-10-01

The RubiX [1] algorithm combines high SNR characteristics of low resolution data with high spacial specificity of high resolution data, to extract microstructural tissue parameters from diffusion MRI. In this paper we focus on estimating crossing fiber orientations and introduce sparsity to the RubiX algorithm, making it suitable for reconstruction from compressed (under-sampled) data. We propose a sparse Bayesian algorithm for estimation of fiber orientations and volume fractions from compressed diffusion MRI. The data at high resolution is modeled using a parametric spherical deconvolution approach and represented using a dictionary created with the exponential decay components along different possible directions. Volume fractions of fibers along these orientations define the dictionary weights. The data at low resolution is modeled using a spatial partial volume representation. The proposed dictionary representation and sparsity priors consider the dependence between fiber orientations and the spatial redundancy in data representation. Our method exploits the sparsity of fiber orientations, therefore facilitating inference from under-sampled data. Experimental results show improved accuracy and decreased uncertainty in fiber orientation estimates. For under-sampled data, the proposed method is also shown to produce more robust estimates of fiber orientations.

Robust determination of surface relaxivity from nuclear magnetic resonance DT2 measurements

NASA Astrophysics Data System (ADS)

Luo, Zhi-Xiang; Paulsen, Jeffrey; Song, Yi-Qiao

2015-10-01

Nuclear magnetic resonance (NMR) is a powerful tool to probe into geological materials such as hydrocarbon reservoir rocks and groundwater aquifers. It is unique in its ability to obtain in situ the fluid type and the pore size distributions (PSD). The T1 and T2 relaxation times are closely related to the pore geometry through the parameter called surface relaxivity. This parameter is critical for converting the relaxation time distribution into the PSD and so is key to accurately predicting permeability. The conventional way to determine the surface relaxivity ρ2 had required independent laboratory measurements of the pore size. Recently Zielinski et al. proposed a restricted diffusion model to extract the surface relaxivity from the NMR diffusion-T2 relaxation (DT2) measurement. Although this method significantly improved the ability to directly extract surface relaxivity from a pure NMR measurement, there are inconsistencies with their model and it relies on a number of preset parameters. Here we propose an improved signal model to incorporate a scalable LT and extend their method to extract the surface relaxivity based on analyzing multiple DT2 maps with varied diffusion observation time. With multiple diffusion observation times, the apparent diffusion coefficient correctly describes the restricted diffusion behavior in samples with wide PSDs, and the new method does not require predetermined parameters, such as the bulk diffusion coefficient and tortuosity. Laboratory experiments on glass beads packs with the beads diameter ranging from 50 μm to 500 μm are used to validate the new method. The extracted diffusion parameters are consistent with their known values and the determined surface relaxivity ρ2 agrees with the expected value within ±7%. This method is further successfully applied on a Berea sandstone core and yields surface relaxivity ρ2 consistent with the literature.

Novel diffusive gradients in thin films technique to assess labile sulfate in soil.

PubMed

Hanousek, Ondrej; Mason, Sean; Santner, Jakob; Chowdhury, Md Mobaroqul Ahsan; Berger, Torsten W; Prohaska, Thomas

2016-09-01

A novel diffusive gradients in thin films (DGT) technique for sampling labile soil sulfate was developed, based on a strong basic anion exchange resin (Amberlite IRA-400) for sulfate immobilization on the binding gel. For reducing the sulfate background on the resin gels, photopolymerization was applied instead of ammonium persulfate-induced polymerization. Agarose cross-linked polyacrylamide (APA) hydrogels were used as diffusive layer. The sulfate diffusion coefficient in APA gel was determined as 9.83 × 10(-6) ± 0.35 × 10(-6) cm(2) s(-1) at 25 °C. The accumulated sulfate was eluted in 1 mol L(-1) HNO3 with a recovery of 90.9 ± 1.6 %. The developed method was tested against two standard extraction methods for soil sulfate measurement. The obtained low correlation coefficients indicate that DGT and conventional soil test methods assess differential soil sulfate pools, rendering DGT a potentially important tool for measuring labile soil sulfate.

On the Equivalence of FCS and FRAP: Simultaneous Lipid Membrane Measurements.

PubMed

Macháň, Radek; Foo, Yong Hwee; Wohland, Thorsten

2016-07-12

Fluorescence correlation spectroscopy (FCS) and fluorescence recovery after photobleaching (FRAP) are widely used methods to determine diffusion coefficients. However, they often do not yield the same results. With the advent of camera-based imaging FCS, which measures the diffusion coefficient in each pixel of an image, and proper bleaching corrections, it is now possible to measure the diffusion coefficient by FRAP and FCS in the exact same images. We thus performed simultaneous FCS and FRAP measurements on supported lipid bilayers and live cell membranes to test how far the two methods differ in their results and whether the methodological differences, in particular the high bleach intensity in FRAP, the bleach corrections, and the fitting procedures in the two methods explain observed differences. Overall, we find that the FRAP bleach intensity does not measurably influence the diffusion in the samples, but that bleach correction and fitting introduce large uncertainties in FRAP. We confirm our results by simulations. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Population genetics inference for longitudinally-sampled mutants under strong selection.

PubMed

Lacerda, Miguel; Seoighe, Cathal

2014-11-01

Longitudinal allele frequency data are becoming increasingly prevalent. Such samples permit statistical inference of the population genetics parameters that influence the fate of mutant variants. To infer these parameters by maximum likelihood, the mutant frequency is often assumed to evolve according to the Wright-Fisher model. For computational reasons, this discrete model is commonly approximated by a diffusion process that requires the assumption that the forces of natural selection and mutation are weak. This assumption is not always appropriate. For example, mutations that impart drug resistance in pathogens may evolve under strong selective pressure. Here, we present an alternative approximation to the mutant-frequency distribution that does not make any assumptions about the magnitude of selection or mutation and is much more computationally efficient than the standard diffusion approximation. Simulation studies are used to compare the performance of our method to that of the Wright-Fisher and Gaussian diffusion approximations. For large populations, our method is found to provide a much better approximation to the mutant-frequency distribution when selection is strong, while all three methods perform comparably when selection is weak. Importantly, maximum-likelihood estimates of the selection coefficient are severely attenuated when selection is strong under the two diffusion models, but not when our method is used. This is further demonstrated with an application to mutant-frequency data from an experimental study of bacteriophage evolution. We therefore recommend our method for estimating the selection coefficient when the effective population size is too large to utilize the discrete Wright-Fisher model. Copyright © 2014 by the Genetics Society of America.

Characterization of helium diffusion behavior from continuous heating experiments: Sample screening and identification of multiple 4He components

NASA Astrophysics Data System (ADS)

McDannell, K. T.; Idleman, B. D.; Zeitler, P. K.

2015-12-01

Old, slowly cooled apatites often yield overdispersed helium ages due to factors such as parent zonation, He implantation, radiation damage, crystal defects, and fluid inclusions. Careful mineral selection and many replicate analyses can mitigate the impact of some of these effects. However, this approach adds unnecessary costs in time and resources when dating well-behaved apatites and is generally ineffective at identifying the root cause of age dispersion and providing suitable age corrections for poorly behaved samples. We assess a new technique utilizing static-gas measurement during continuous heating as a means to rapidly screen apatite samples. In about the time required for a conventional total-gas analysis, this method can discriminate between samples showing the volume-diffusion behavior expected for apatite and those showing anomalous release patterns, inconsistent with their use in thermochronologic applications. This method may also have the potential to quantify and discriminate between the radiogenic and extraneous 4He fractions released by a sample. Continuously heated samples that outgas by volume diffusion during a linear heating schedule should produce a characteristic sigmoidal 4He fractional loss profile, with the exact shape and position of these profiles (in loss vs. heating time space) controlled by sample kinetics, grain size, and heating rate. Secondary factors such as sample zoning and alpha-loss distribution have a relatively minor impact on such profiles. Well-behaved examples such as the Durango standard and other apatites with good age reproducibility show the expected smooth, sigmoidal gas release with complete exhaustion by temperatures predicted for volume diffusion using typical apatite kinetics (e.g., by ~900˚C for linear heating at 20˚C/minute). In contrast, "bad actor" samples that do not replicate well show significant degrees of helium release deferred to higher temperatures. We report on screening results for a range of samples including a suite of slowly cooled Cretaceous apatites from the Hangay Dome in central Mongolia, assessing the degree to which screening using cumulative heating can reliably identify bad-actor grains, and possibly, correct their ages.

Simultaneous Multi-Scale Diffusion Estimation and Tractography Guided by Entropy Spectrum Pathways

PubMed Central

Galinsky, Vitaly L.; Frank, Lawrence R.

2015-01-01

We have developed a method for the simultaneous estimation of local diffusion and the global fiber tracts based upon the information entropy flow that computes the maximum entropy trajectories between locations and depends upon the global structure of the multi-dimensional and multi-modal diffusion field. Computation of the entropy spectrum pathways requires only solving a simple eigenvector problem for the probability distribution for which efficient numerical routines exist, and a straight forward integration of the probability conservation through ray tracing of the convective modes guided by a global structure of the entropy spectrum coupled with a small scale local diffusion. The intervoxel diffusion is sampled by multi b-shell multi q-angle DWI data expanded in spherical waves. This novel approach to fiber tracking incorporates global information about multiple fiber crossings in every individual voxel and ranks it in the most scientifically rigorous way. This method has potential significance for a wide range of applications, including studies of brain connectivity. PMID:25532167

Graphene nanoplatelets: Thermal diffusivity and thermal conductivity by the flash method

NASA Astrophysics Data System (ADS)

Potenza, M.; Cataldo, A.; Bovesecchi, G.; Corasaniti, S.; Coppa, P.; Bellucci, S.

2017-07-01

The present work deals with the measurement of thermo-physical properties of a freestanding sheet of graphene (thermal diffusivity and thermal conductivity), and their dependence on sample density as result of uniform mechanical compression. Thermal diffusivity of graphene nano-platelets (thin slabs) was measured by the pulse flash method. Obtained response data were processed with a specifically developed least square data processing algorithm. GNP specific heat was assumed from literature and thermal conductivity derived from thermal diffusivity, specific heat and density. Obtained results show a significant difference with respect to other porous media: the thermal diffusivity decreases as the density increases, while thermal conductivity increases for low and high densities, and remain fairly constant for the intermediate range. This can be explained by the very high thermal conductivity values reached by the nano-layers of graphene and the peculiar arrangement of platelets during the compression applied to the samples to get the desired density. Due to very high thermal conductivity of graphene layers, the obtained results show that thermal conductivity of conglomerates increases when there is an air reduction due to compression, and consequent density increases, with the number of contact points between platelets also increased. In the intermediate range (250 ≤ ρ ≤ 700 kg.m-3) the folding of platelets reduces density, without increasing the contact points of platelets, so thermal conductivity can slightly decrease.

Electrical Nanocontact Between Bismuth Nanowire Edges and Electrodes

NASA Astrophysics Data System (ADS)

Murata, Masayuki; Nakamura, Daiki; Hasegawa, Yasuhiro; Komine, Takashi; Uematsu, Daisuke; Nakamura, Shinichiro; Taguchi, Takashi

2010-09-01

Three methods for attaching electrodes to a bismuth nanowire sample were investigated. In the first and second methods, thin layers of titanium and copper were deposited by ion plating under vacuum onto the edge surface of individual bismuth nanowire samples that were encapsulated in a quartz template. Good electrical contact between the electrodes and the nanowire was achieved using silver epoxy and conventional solder on the thin-film layers in the first and second methods, respectively. In the third method, a low-melting-point solder was utilized and was also successful in achieving good electrical contact in air atmosphere. The connection methods showed no difference in terms of resistivity temperature dependence or Seebeck coefficient. The third method has an advantage in that nanocontact is easily achieved; however, diffusion of the solder into the nanowire allows contamination near the melting point of the solder. In the first and second methods, the thin-film layer enabled electrical contact to be more safely achieved than the direct contact used in the third method, because the thin-film layer prevented diffusion of binder components.

Targets for the production of radioisotopes and method of assembly

DOEpatents

Quinby, Thomas C.

1976-01-01

A target for preparation of radioisotopes by nuclear bombardment, and a method for its assembly are provided. A metallic sample to be bombarded is enclosed within a metallic support structure and the resulting target subjected to heat and pressure to effect diffusion bonds therebetween. The bonded target is capable of withstanding prolonged exposure to nuclear bombardment without thermal damage to the sample.

A reactive and sensitive diffusion sampler for the determination of aldehydes and ketones in ambient air

NASA Astrophysics Data System (ADS)

Uchiyama, Shigehisa; Hasegawa, Shuji

We developed a diffusive sampling device (DSD-carbonyl) for organic carbonyl compounds (aldehydes and ketones) which is suitable for collection and analysis of low concentration levels. This sampling device is composed of three parts, an exposure part made of a porous polytetrafluoroethylene (PPTFE) tube, an analysis part made of polypropylene (PP) tubing and an absorbent part made of 2,4-dinitrophenylhydrazine (DNPH) coated silica gel (DNPH-silica). Aldehydes and ketones diffuse to the DSD-carbonyl through PPTFE-tube by the mechanism of molecular diffusion and react specifically with DNPH to form a stable DNPH-derivatives. Collection is controlled by moving the absorbent from the exposure part to the analysis part by changing the posture of the DSD-carbonyl. DNPH-derivatives were eluted from an analysis part of DSD-carbonyl with acetonitrile directly and analyzed by high performance liquid chromatography (HPLC). The advantages of the DSD-carbonyl are the following: (1) The DSD-carbonyl can be used in a wide range of concentration of aldehydes and ketones in atmosphere, as the DSD-carbonyl exposure part has a variable diffusion area, (2) DNPH-derivatives are eluted from DNPH-silica without contamination of air. (3) The sampler can be applied to active sampling by connecting it with a pump. The limit of detection (LOD) for concentrations of major aldehydes and ketones ranged from 0.072 to 0.13 ppb, and the limit of quantitation (LOQ) ranged from 0.24 to 0.42 ppb. The coefficient variation (CV) for concentrations of major aldehydes and ketones ranged from 2.5 to 3.0% in laboratory air. The DSD-carbonyl method and active sampling method (US EPA method IP-6A) showed a good correlation (formaldehyde, r2=0.995). The uptake rates for formaldehyde, acetaldehyde, and acetone were estimated as 0.078, 0.062 and 0.079 nmol ppb -1 h -1, respectively. It is possible to estimate atmospheric aldehydes and ketones at parts per billion (ppb), with high sensitivity and precision, by using DSD-carbonyl.

Estimates of advection and diffusion in the Potomac estuary

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

Elliott, A.J.

1976-01-01

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

Comparison of dialysis membrane diffusion samplers and two purging methods in bedrock wells

USGS Publications Warehouse

Imbrigiotta, T.E.; Ehlke, T.A.; Lacombe, P.J.; Dale, J.M.; ,

2002-01-01

Collection of ground-water samples from bedrock wells using low-flow purging techniques is problematic because of the random spacing, variable hydraulic conductivity, and variable contamination of contributing fractures in each well's open interval. To test alternatives to this purging method, a field comparison of three ground-water-sampling techniques was conducted on wells in fractured bedrock at a site contaminated primarily with volatile organic compounds. Constituent concentrations in samples collected with a diffusion sampler constructed from dialysis membrane material were compared to those in samples collected from the same wells with a standard low-flow purging technique and a hybrid (high-flow/low-flow) purging technique. Concentrations of trichloroethene, cis-1,2-dichloroethene, vinyl chloride, calcium, chloride, and alkalinity agreed well among samples collected with all three techniques in 9 of the 10 wells tested. Iron concentrations varied more than those of the other parameters, but their pattern of variation was not consistent. Overall, the results of nonparametric analysis of variance testing on the nine wells sampled twice showed no statistically significant difference at the 95-percent confidence level among the concentrations of volatile organic compounds or inorganic constituents recovered by use of any of the three sampling techniques.

Improvement of direct determination of trace nickel in environmental samples by diffuse reflection spectroscopy using chromaticity characteristics.

PubMed

Ershova, N I; Ivanov, V M

2000-05-01

Cellulose and chromaton-N-super as solid supports for direct determination of the immobilized nickel complexes with dimethylglyoxime and benzyldioxime by diffuse reflection spectroscopy were compared. The advantage of chromaton-N-super with use of benzyldioxime is shown. Detection limit is 0.02 microg/mL. The proposed method was applied for the analysis of soil.

Measurement of thermal conductivity and thermal diffusivity using a thermoelectric module

NASA Astrophysics Data System (ADS)

Beltrán-Pitarch, Braulio; Márquez-García, Lourdes; Min, Gao; García-Cañadas, Jorge

2017-04-01

A proof of concept of using a thermoelectric module to measure both thermal conductivity and thermal diffusivity of bulk disc samples at room temperature is demonstrated. The method involves the calculation of the integral area from an impedance spectrum, which empirically correlates with the thermal properties of the sample through an exponential relationship. This relationship was obtained employing different reference materials. The impedance spectroscopy measurements are performed in a very simple setup, comprising a thermoelectric module, which is soldered at its bottom side to a Cu block (heat sink) and thermally connected with the sample at its top side employing thermal grease. Random and systematic errors of the method were calculated for the thermal conductivity (18.6% and 10.9%, respectively) and thermal diffusivity (14.2% and 14.7%, respectively) employing a BCR724 standard reference material. Although errors are somewhat high, the technique could be useful for screening purposes or high-throughput measurements at its current state. This new method establishes a new application for thermoelectric modules as thermal properties sensors. It involves the use of a very simple setup in conjunction with a frequency response analyzer, which provides a low cost alternative to most of currently available apparatus in the market. In addition, impedance analyzers are reliable and widely spread equipment, which facilities the sometimes difficult access to thermal conductivity facilities.

A novel improved method for analysis of 2D diffusion relaxation data—2D PARAFAC-Laplace decomposition

NASA Astrophysics Data System (ADS)

Tønning, Erik; Polders, Daniel; Callaghan, Paul T.; Engelsen, Søren B.

2007-09-01

This paper demonstrates how the multi-linear PARAFAC model can with advantage be used to decompose 2D diffusion-relaxation correlation NMR spectra prior to 2D-Laplace inversion to the T2- D domain. The decomposition is advantageous for better interpretation of the complex correlation maps as well as for the quantification of extracted T2- D components. To demonstrate the new method seventeen mixtures of wheat flour, starch, gluten, oil and water were prepared and measured with a 300 MHz nuclear magnetic resonance (NMR) spectrometer using a pulsed gradient stimulated echo (PGSTE) pulse sequence followed by a Carr-Purcell-Meiboom-Gill (CPMG) pulse echo train. By varying the gradient strength, 2D diffusion-relaxation data were recorded for each sample. From these double exponentially decaying relaxation data the PARAFAC algorithm extracted two unique diffusion-relaxation components, explaining 99.8% of the variation in the data set. These two components were subsequently transformed to the T2- D domain using 2D-inverse Laplace transformation and quantitatively assigned to the oil and water components of the samples. The oil component was one distinct distribution with peak intensity at D = 3 × 10 -12 m 2 s -1 and T2 = 180 ms. The water component consisted of two broad populations of water molecules with diffusion coefficients and relaxation times centered around correlation pairs: D = 10 -9 m 2 s -1, T2 = 10 ms and D = 3 × 10 -13 m 2 s -1, T2 = 13 ms. Small spurious peaks observed in the inverse Laplace transformation of original complex data were effectively filtered by the PARAFAC decomposition and thus considered artefacts from the complex Laplace transformation. The oil-to-water ratio determined by PARAFAC followed by 2D-Laplace inversion was perfectly correlated with known oil-to-water ratio of the samples. The new method of using PARAFAC prior to the 2D-Laplace inversion proved to have superior potential in analysis of diffusion-relaxation spectra, as it improves not only the interpretation, but also the quantification.

ATCA observations of the MACS-Planck Radio Halo Cluster Project. II. Radio observations of an intermediate redshift cluster sample

NASA Astrophysics Data System (ADS)

Martinez Aviles, G.; Johnston-Hollitt, M.; Ferrari, C.; Venturi, T.; Democles, J.; Dallacasa, D.; Cassano, R.; Brunetti, G.; Giacintucci, S.; Pratt, G. W.; Arnaud, M.; Aghanim, N.; Brown, S.; Douspis, M.; Hurier, J.; Intema, H. T.; Langer, M.; Macario, G.; Pointecouteau, E.

2018-04-01

Aim. A fraction of galaxy clusters host diffuse radio sources whose origins are investigated through multi-wavelength studies of cluster samples. We investigate the presence of diffuse radio emission in a sample of seven galaxy clusters in the largely unexplored intermediate redshift range (0.3 < z < 0.44). Methods: In search of diffuse emission, deep radio imaging of the clusters are presented from wide band (1.1-3.1 GHz), full resolution ( 5 arcsec) observations with the Australia Telescope Compact Array (ATCA). The visibilities were also imaged at lower resolution after point source modelling and subtraction and after a taper was applied to achieve better sensitivity to low surface brightness diffuse radio emission. In case of non-detection of diffuse sources, we set upper limits for the radio power of injected diffuse radio sources in the field of our observations. Furthermore, we discuss the dynamical state of the observed clusters based on an X-ray morphological analysis with XMM-Newton. Results: We detect a giant radio halo in PSZ2 G284.97-23.69 (z = 0.39) and a possible diffuse source in the nearly relaxed cluster PSZ2 G262.73-40.92 (z = 0.421). Our sample contains three highly disturbed massive clusters without clear traces of diffuse emission at the observed frequencies. We were able to inject modelled radio haloes with low values of total flux density to set upper detection limits; however, with our high-frequency observations we cannot exclude the presence of RH in these systems because of the sensitivity of our observations in combination with the high z of the observed clusters. The reduced images are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/611/A94

Thermal Diffusivity and Conductivity in Ceramic Matrix Fiber Composite Materials - Literature Study

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

R.G. Quinn

A technical literature review was conducted to gain an understanding of the state of the art method, problems, results, and future of thermal diffusivity/conductivity of matrix-fiber composites for high temperature applications. This paper summarizes the results of test method development and theory. Results from testing on various sample types are discussed with concentration on the anisotropic characteristics of matrix-fiber composites, barriers to heat flow, and notable microstructure observations. The conclusion presents some observations from the technical literature, drawbacks of current information and discusses potential needs for future testing.

Practical considerations for measuring hydrogen concentrations in groundwater

USGS Publications Warehouse

Chapelle, F.H.; Vroblesky, D.A.; Woodward, J.C.; Lovley, D.R.

1997-01-01

Several practical considerations for measuring concentrations of dissolved molecular hydrogen (H2) in groundwater including 1 sampling methods 2 pumping methods and (3) effects of well casing materials were evaluated. Three different sampling methodologies (a downhole sampler, a gas- stripping method, and a diffusion sampler) were compared. The downhole sampler and gas-stripping methods gave similar results when applied to the same wells, the other hand, appeared to The diffusion sampler, on overestimate H2 concentrations relative to the downhole sampler. Of these methods, the gas-stripping method is better suited to field conditions because it is faster (~ 30 min for a single analysis as opposed to 2 h for the downhole sampler or 8 h for the diffusion sampler), the analysis is easier (less sample manipulation is required), and the data computations are more straightforward (H2 concentrations need not be corrected for water sample volume). Measurement of H2 using the gas-stripping method can be affected by different pumping equipment. Peristaltic, piston, and bladder pumps all gave similar results when applied to water produced from the same well. It was observed, however, that peristaltic-pumped water (which draws water under a negative pressure) enhanced the gas-stripping process and equilibrated slightly faster than either piston or bladder pumps (which push water under a positive pressure). A direct current(dc) electrically driven submersible pump was observed to produce H2 and was not suitable for measuring H2 in groundwater. Measurements from two field sites indicate that iron or steel well casings, produce H2, which masks H2 concentrations in groundwater. PVC-cased wells or wells cased with other materials that do not produce H2 are necessary for measuring H2 concentrations in groundwater.Several practical considerations for measuring concentrations of dissolved molecular hydrogen in groundwater including sampling methods, pumping methods, and effects of well casing materials were evaluated. The downhole sampler and gas-stripping methods gave similar results when applied to the same wells. The diffusional sampler appears to overestimate H2 concentrations relative to the downhole sampler. Gas-stripping method is better for a single analysis and the data computations are more straightforward. Measurement of H2 using the gas-stripping method can be affected by different pumping equipment.

Advances in modeling sorption and diffusion of moisture in porous reactive materials.

PubMed

Harley, Stephen J; Glascoe, Elizabeth A; Lewicki, James P; Maxwell, Robert S

2014-06-23

Water-vapor-uptake experiments were performed on a silica-filled poly(dimethylsiloxane) (PDMS) network and modeled by using two different approaches. The data was modeled by using established methods and the model parameters were used to predict moisture uptake in a sample. The predictions are reasonably good, but not outstanding; many of the shortcomings of the modeling are discussed. A high-fidelity modeling approach is derived and used to improve the modeling of moisture uptake and diffusion. Our modeling approach captures the physics and kinetics of diffusion and adsorption/desorption, simultaneously. It predicts uptake better than the established method; more importantly, it is also able to predict outgassing. The material used for these studies is a filled-PDMS network; physical interpretations concerning the sorption and diffusion of moisture in this network are discussed. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Time‐efficient and flexible design of optimized multishell HARDI diffusion

PubMed Central

Tournier, J. Donald; Price, Anthony N.; Cordero‐Grande, Lucilio; Hughes, Emer J.; Malik, Shaihan; Steinweg, Johannes; Bastiani, Matteo; Sotiropoulos, Stamatios N.; Jbabdi, Saad; Andersson, Jesper; Edwards, A. David; Hajnal, Joseph V.

2017-01-01

Purpose Advanced diffusion magnetic resonance imaging benefits from collecting as much data as is feasible but is highly sensitive to subject motion and the risk of data loss increases with longer acquisition times. Our purpose was to create a maximally time‐efficient and flexible diffusion acquisition capability with built‐in robustness to partially acquired or interrupted scans. Our framework has been developed for the developing Human Connectome Project, but different application domains are equally possible. Methods Complete flexibility in the sampling of diffusion space combined with free choice of phase‐encode‐direction and the temporal ordering of the sampling scheme was developed taking into account motion robustness, internal consistency, and hardware limits. A split‐diffusion‐gradient preparation, multiband acceleration, and a restart capacity were added. Results The framework was used to explore different parameters choices for the desired high angular resolution diffusion imaging diffusion sampling. For the developing Human Connectome Project, a high‐angular resolution, maximally time‐efficient (20 min) multishell protocol with 300 diffusion‐weighted volumes was acquired in >400 neonates. An optimal design of a high‐resolution (1.2 × 1.2 mm2) two‐shell acquisition with 54 diffusion weighted volumes was obtained using a split‐gradient design. Conclusion The presented framework provides flexibility to generate time‐efficient and motion‐robust diffusion magnetic resonance imaging acquisitions taking into account hardware constraints that might otherwise result in sub‐optimal choices. Magn Reson Med 79:1276–1292, 2018. © 2017 The Authors Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. on behalf of International Society for Magnetic Resonance in Medicine. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. PMID:28557055

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Designing single- and multiple-shell sampling schemes for diffusion MRI using spherical code.

PubMed

Cheng, Jian; Shen, Dinggang; Yap, Pew-Thian

2014-01-01

In diffusion MRI (dMRI), determining an appropriate sampling scheme is crucial for acquiring the maximal amount of information for data reconstruction and analysis using the minimal amount of time. For single-shell acquisition, uniform sampling without directional preference is usually favored. To achieve this, a commonly used approach is the Electrostatic Energy Minimization (EEM) method introduced in dMRI by Jones et al. However, the electrostatic energy formulation in EEM is not directly related to the goal of optimal sampling-scheme design, i.e., achieving large angular separation between sampling points. A mathematically more natural approach is to consider the Spherical Code (SC) formulation, which aims to achieve uniform sampling by maximizing the minimal angular difference between sampling points on the unit sphere. Although SC is well studied in the mathematical literature, its current formulation is limited to a single shell and is not applicable to multiple shells. Moreover, SC, or more precisely continuous SC (CSC), currently can only be applied on the continuous unit sphere and hence cannot be used in situations where one or several subsets of sampling points need to be determined from an existing sampling scheme. In this case, discrete SC (DSC) is required. In this paper, we propose novel DSC and CSC methods for designing uniform single-/multi-shell sampling schemes. The DSC and CSC formulations are solved respectively by Mixed Integer Linear Programming (MILP) and a gradient descent approach. A fast greedy incremental solution is also provided for both DSC and CSC. To our knowledge, this is the first work to use SC formulation for designing sampling schemes in dMRI. Experimental results indicate that our methods obtain larger angular separation and better rotational invariance than the generalized EEM (gEEM) method currently used in the Human Connectome Project (HCP).

Preliminary evaluation of optical glucose sensing in red cell concentrations using near-infrared diffuse-reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Suzuki, Yusuke; Maruo, Katsuhiko; Zhang, Alice W.; Shimogaki, Kazushige; Ogawa, Hideto; Hirayama, Fumiya

2012-01-01

Bacterial contamination of blood products is one of the most frequent infectious complications of transfusion. Since glucose levels in blood supplies decrease as bacteria proliferate, it should be possible to detect the presence of bacterial contamination by measuring the glucose concentrations in the blood components. Hence this study is aimed to serve as a preliminary study for the nondestructive measurement of glucose level in transfusion blood. The glucose concentrations in red blood cell (RBC) samples were predicted using near-infrared diffuse-reflectance spectroscopy in the 1350 to 1850 nm wavelength region. Furthermore, the effects of donor, hematocrit level, and temperature variations among the RBC samples were observed. Results showed that the prediction performance of a dataset which contained samples that differed in all three parameters had a standard error of 29.3 mg/dL. Multiplicative scatter correction (MSC) preprocessing method was also found to be effective in minimizing the variations in scattering patterns created by various sample properties. The results suggest that the diffuse-reflectance spectroscopy may provide another avenue for the detection of bacterial contamination in red cell concentrations (RCC) products.

Sorption of hydrogen by silica aerogel at low-temperatures

NASA Astrophysics Data System (ADS)

Dolbin, A. V.; Khlistyuck, M. V.; Esel'son, V. B.; Gavrilko, V. G.; Vinnikov, N. A.; Basnukaeva, R. M.; Martsenuk, V. E.; Veselova, N. V.; Kaliuzhnyi, I. A.; Storozhko, A. V.

2018-02-01

The programmed thermal desorption method is used at temperatures of 7-95 K to study the sorption and subsequent desorption of hydrogen by a sample of silica aerogel. Physical sorption of hydrogen owing to the weak van-der-Waals interaction of hydrogen molecules with the silicon dioxide walls of the pores of the sample was observed over the entire temperature range. The total capacity of the aerogel sample for hydrogen was ˜1.5 mass %. It was found that when the sample temperature was lowered from 95 to 60 K, the characteristic sorption times for hydrogen by the silica aerogel increase; this is typical of thermally activated diffusion (Ea ≈ 408 K). For temperatures of 15-45 K the characteristic H2 sorption times depended weakly on temperature, presumably because of the predominance of a tunnel mechanism for diffusion over thermally activated diffusion. Below 15 K the characteristic sorption times increase somewhat as the temperature is lowered; this may be explained by the formation of a monolayer of H2 molecules on the surface of the aerogel grains.

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

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

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

Time-Dependent Influence of Cell Membrane Permeability on MR Diffusion Measurements

PubMed Central

Li, Hua; Jiang, Xiaoyu; Xie, Jingping; McIntyre, J. Oliver; Gore, John C.; Xu, Junzhong

2015-01-01

Purpose To investigate the influence of cell membrane permeability on diffusion measurements over a broad range of diffusion times. Methods Human myelogenous leukemia K562 cells were cultured and treated with saponin to selectively alter cell membrane permeability, resulting in a broad physiologically relevant range from 0.011 μm/ms to 0.044 μm/ms. Apparent diffusion coefficient (ADC) values were acquired with the effective diffusion time (Δeff) ranging from 0.42 to 3000 ms. Cosine-modulated oscillating gradient spin echo (OGSE) measurements were performed to achieve short Δeff from 0.42 to 5 ms, while stimulated echo acquisitions (STEAM) were used to achieve long Δeff from 11 to 2999 ms. Computer simulations were also performed to support the experimental results. Results Both computer simulations and experiments in vitro showed that the influence of membrane permeability on diffusion MR measurements is highly dependent on the choice of diffusion time, and it is negligible only when the diffusion time is at least one order of magnitude smaller than the intracellular exchange lifetime. Conclusion The influence of cell membrane permeability on the measured ADCs is negligible in OGSE measurements at moderately high frequencies. By contrast, cell membrane permeability has a significant influence on ADC and quantitative diffusion measurements at low frequencies such as those sampled using conventional pulsed gradient methods. PMID:26096552

Variations in thermo-optical properties of neutral red dye with laser ablated gold nanoparticles

NASA Astrophysics Data System (ADS)

Prakash, Anitha; Pathrose, Bini P.; Mathew, S.; Nampoori, V. P. N.; Radhakrishnan, P.; Mujeeb, A.

2018-05-01

We have investigated the thermal and optical properties of neutral red dye incorporated with different weight percentage of gold nanoparticles prepared by laser ablation method. Optical absorption studies confirmed the production of spherical nanoparticles and also the interactions of the dye molecules with gold nanoparticles. The quenching of fluorescence and the reduction in the lifetime of gold incorporated samples were observed and was due to the non-radiative energy transfer between the dye molecules and gold nanoparticles. Dual beam thermal lens technique has been employed to measure the heat diffusion in neutral red with various weight percentage of gold nano sol dispersed in ethanol. The significant outcome of the experiment is that, the overall heat diffusion is slower in the presence of gold nano sol compared to that of dye alone sample. Brownian motion is suggested to be the main mechanism of heat transfer under the present conditions. The thermal diffusivity variations of samples with respect to different excitation power of laser were also studied.

Agar Disk Diffusion and Automated Microbroth Dilution Produce Similar Antimicrobial Susceptibility Testing Results for Salmonella Serotypes Newport, Typhimurium, and 4,5,12:i-, But Differ in Economic Cost

PubMed Central

Cummings, Kevin J.; Warnick, Lorin D.; Schukken, Ynte H.; Siler, Julie D.; Gröhn, Yrjo T.; Davis, Margaret A.; Besser, Tom E.; Wiedmann, Martin

2011-01-01

Abstract Data generated using different antimicrobial testing methods often have to be combined, but the equivalence of such results is difficult to assess. Here we compared two commonly used antimicrobial susceptibility testing methods, automated microbroth dilution and agar disk diffusion, for 8 common drugs, using 222 Salmonella isolates of serotypes Newport, Typhimurium, and 4,5,12:i-, which had been isolated from clinical salmonellosis cases among cattle and humans. Isolate classification corresponded well between tests, with 95% overall category agreement. Test results were significantly negatively correlated, and Spearman's correlation coefficients ranged from −0.98 to −0.38. Using Cox's proportional hazards model we determined that for most drugs, a 1 mm increase in zone diameter resulted in an estimated 20%–40% increase in the hazard of growth inhibition. However, additional parameters such as isolation year or serotype often impacted the hazard of growth inhibition as well. Comparison of economical feasibility showed that agar disk diffusion is clearly more cost-effective if the average sample throughput is small but that both methods are comparable at high sample throughput. In conclusion, for the Salmonella serotypes and antimicrobial drugs analyzed here, antimicrobial susceptibility data generated based on either test are qualitatively very comparable, and the current published break points for both methods are in excellent agreement. Economic feasibility clearly depends on the specific laboratory settings, and disk diffusion might be an attractive alternative for certain applications such as surveillance studies. PMID:21877930

Ligand diffusion in proteins via enhanced sampling in molecular dynamics.

PubMed

Rydzewski, J; Nowak, W

2017-12-01

Computational simulations in biophysics describe the dynamics and functions of biological macromolecules at the atomic level. Among motions particularly important for life are the transport processes in heterogeneous media. The process of ligand diffusion inside proteins is an example of a complex rare event that can be modeled using molecular dynamics simulations. The study of physical interactions between a ligand and its biological target is of paramount importance for the design of novel drugs and enzymes. Unfortunately, the process of ligand diffusion is difficult to study experimentally. The need for identifying the ligand egress pathways and understanding how ligands migrate through protein tunnels has spurred the development of several methodological approaches to this problem. The complex topology of protein channels and the transient nature of the ligand passage pose difficulties in the modeling of the ligand entry/escape pathways by canonical molecular dynamics simulations. In this review, we report a methodology involving a reconstruction of the ligand diffusion reaction coordinates and the free-energy profiles along these reaction coordinates using enhanced sampling of conformational space. We illustrate the above methods on several ligand-protein systems, including cytochromes and G-protein-coupled receptors. The methods are general and may be adopted to other transport processes in living matter. Copyright © 2017 Elsevier B.V. All rights reserved.

One step linear reconstruction method for continuous wave diffuse optical tomography

NASA Astrophysics Data System (ADS)

Ukhrowiyah, N.; Yasin, M.

2017-09-01

The method one step linear reconstruction method for continuous wave diffuse optical tomography is proposed and demonstrated for polyvinyl chloride based material and breast phantom. Approximation which used in this method is selecting regulation coefficient and evaluating the difference between two states that corresponding to the data acquired without and with a change in optical properties. This method is used to recovery of optical parameters from measured boundary data of light propagation in the object. The research is demonstrated by simulation and experimental data. Numerical object is used to produce simulation data. Chloride based material and breast phantom sample is used to produce experimental data. Comparisons of results between experiment and simulation data are conducted to validate the proposed method. The results of the reconstruction image which is produced by the one step linear reconstruction method show that the image reconstruction almost same as the original object. This approach provides a means of imaging that is sensitive to changes in optical properties, which may be particularly useful for functional imaging used continuous wave diffuse optical tomography of early diagnosis of breast cancer.

Passive sampling for the isotopic fingerprinting of atmospheric mercury

NASA Astrophysics Data System (ADS)

Bergquist, B. A.; MacLagan, D.; Spoznar, N.; Kaplan, R.; Chandan, P.; Stupple, G.; Zimmerman, L.; Wania, F.; Mitchell, C. P. J.; Steffen, A.; Monaci, F.; Derry, L. A.

2017-12-01

Recent studies show that there are variations in the mercury (Hg) isotopic signature of atmospheric Hg, which demonstrates the potential for source tracing and improved understanding of atmospheric cycling of Hg. However, current methods for both measuring atmospheric Hg and collecting enough atmospheric Hg for isotopic analyses require expensive instruments that need power and expertise. Additionally, methods for collecting enough atmospheric Hg for isotopic analysis require pumping air through traps for long periods (weeks and longer). Combining a new passive atmospheric sampler for mercury (Hg) with novel Hg isotopic analyses will allow for the application of stable Hg isotopes to atmospheric studies of Hg. Our group has been testing a new passive sampler for gaseous Hg that relies on the diffusion of Hg through a diffusive barrier and adsorption onto a sulphur-impregnated activated carbon sorbent. The benefit of this passive sampler is that it is low cost, requires no power, and collects gaseous Hg for up to one year with linear, well-defined uptake, which allows for reproducible and accurate measurements of atmospheric gaseous Hg concentrations ( 8% uncertainty). As little as one month of sampling is often adequate to collect sufficient Hg for isotopic analysis at typical background concentrations. Experiments comparing the isotopic Hg signature in activated carbon samples using different approaches (i.e. by passive diffusion, by passive diffusion through diffusive barriers of different thickness, by active pumping) and at different temperatures confirm that the sampling process itself does not impose mass-independent fractionation (MIF). However, sampling does result in a consistent and thus correctable mass-dependent fractionation (MDF) effect. Therefore, the sampler preserves Hg MIF with very high accuracy and precision, which is necessary for atmospheric source tracing, and reasonable MDF can be estimated with some increase in error. In addition to experimental work, initial field data will be presented including a transect of increasing distance from a known strong source of Hg (Mt. Amiata mine, Italy), downwind of Kilauea volcano in Hawaii, and several other locales including the Arctic station Alert and various sites across Ontario, Canada.

Measurement of diffusion coefficient of propylene glycol in skin tissue

NASA Astrophysics Data System (ADS)

Genin, Vadim D.; Bashkatov, Alexey N.; Genina, Elina A.; Tuchin, Valery V.

2015-03-01

Optical clearing of the rat skin under the action of propylene glycol was studied ex vivo. It was found that collimated transmittance of skin samples increased, whereas weight and thickness of the samples decreased during propylene glycol penetration in skin tissue. A mechanism of the optical clearing under the action of propylene glycol is discussed. Diffusion coefficient of propylene glycol in skin tissue ex vivo has been estimated as (1.35±0.95)×10-7 cm2/s with the taking into account of kinetics of both weight and thickness of skin samples. The presented results can be useful for enhancement of many methods of laser therapy and optical diagnostics of skin diseases and localization of subcutaneous neoplasms.

[Achievement of the noninvasive measurement for human blood glucose with NIR diffusion reflectance spectrum method].

PubMed

Zhang, Hong-yan; Ding, Dong; Song, Li-qiang; Gu, Lin-na; Yang, Peng; Tang, Yu-guo

2005-06-01

The noninvasive measurement of human blood glucose was achieved with NIR diffusion reflectance spectrum method. The thumb fingertip NIR diffusion reflectance spectra of six different age healthy volunteers were collected using Nexus-870 and its NIR fiber port smart accessory. The test was implemented with changing the blood glucose concentration for the limosis and satiation of every volunteer. The calibration model was set up using PLS method with the smoothing, baseline correction and first derivatives pretreatment spectrum in the 7500-8500 cm(-1) region for single volunteer, the same age combination and that of different age. When the spectrum was obtained, the actual blood glucose value of every spectrun sample was demarcated using ultraviolet spectrophotometer. The correlation between the calibration value and true value for single volunteer is better than that for the combination of volunteers, the correlative coefficients are all over 0.90471, RMSECs are all less than 0.171.

Reliable recovery of the optical properties of multi-layer turbid media by iteratively using a layered diffusion model at multiple source-detector separations

PubMed Central

Liao, Yu-Kai; Tseng, Sheng-Hao

2014-01-01

Accurately determining the optical properties of multi-layer turbid media using a layered diffusion model is often a difficult task and could be an ill-posed problem. In this study, an iterative algorithm was proposed for solving such problems. This algorithm employed a layered diffusion model to calculate the optical properties of a layered sample at several source-detector separations (SDSs). The optical properties determined at various SDSs were mutually referenced to complete one round of iteration and the optical properties were gradually revised in further iterations until a set of stable optical properties was obtained. We evaluated the performance of the proposed method using frequency domain Monte Carlo simulations and found that the method could robustly recover the layered sample properties with various layer thickness and optical property settings. It is expected that this algorithm can work with photon transport models in frequency and time domain for various applications, such as determination of subcutaneous fat or muscle optical properties and monitoring the hemodynamics of muscle. PMID:24688828

Field tests of nylon-screen diffusion samplers and pushpoint samplers for detection of metals in sediment pore water, Ashland and Clinton, Massachusetts, 2003

USGS Publications Warehouse

Zimmerman, Marc J.; Vroblesky, Don A.; Campo, Kimberly W.; Massey, Andrew J.; Scheible, Walter

2005-01-01

Efficient and economical screening methods are needed to detect and to determine the approximate concentrations of potentially toxic trace-element metals in shallow groundwater- discharge areas (pore water) where the metals may pose threats to aquatic organisms; such areas are likely to be near hazardous-waste sites. Pushpoint and nylon-screen diffusion samplers are two complementary options for use in such environments. The pushpoint sampler, a simple well point, is easy to insert manually and to use. Only 1 day is required to collect samples. The nylon-screen diffusion sampler is well suited for use in sediments that do not allow a pump to draw water into a pushpoint sampler. In this study, both types of devices were used in sediments suitable for the use of the pushpoint sampler. Sampling with the nylon-screen diffusion sampler requires at least two site visits: one to deploy the samplers in the sediment, and a second to retrieve the samplers and collect the samples after a predetermined equilibration period. Extensive laboratory quality-control studies, field testing, and laboratory analysis of samples collected at the Nyanza Chemical Waste Dump Superfund site along the Sudbury River in Ashland, Massachusetts, and at a Superfund site-assessment location on Rigby Brook in Clinton, Massachusetts, indicate that these two devices yield comparable results for most metals and should be effective tools for pore-water studies. The nylon-screen diffusion samplers equilibrated within 1-2 days in homogeneous, controlled conditions in the laboratory. Nylon-screen diffusion samplers that were not purged of dissolved oxygen prior to deployment yielded results similar to those that were purged. Further testing of the nylon-screen diffusion samplers in homogeneous media would help to resolve any ambiguities about the data variability from the field studies. Comparison of data from replicate samples taken in both study areas shows that even samples taken from sites within a half-meter radius of one another have distinct differences in pore-water trace-element concentrations. Sequential replicate samples collected with the pushpoint sampler yield consistent results; moving the pushpoint sampler even 5 to 10 centimeters, however, generally produces a second set of data that differs enough from the first set of data to indicate a heterogeneous environment. High concentration biases for barium and zinc in laboratory and field samples collected with nylon-screen diffusion samplers, however, may make their use inappropriate for studies of these metals. Analyzing samples with high iron concentrations required sample dilution by factors of 2 or 10. Because these dilutions caused increases in the reporting levels by the same proportion, a substantial fraction of the data was censored. The results from undiluted samples, however, indicate that both devices should be useful for sampling ground water with metal concentrations close to reporting limits.

Whole brain fiber-based comparison (FBC)-A tool for diffusion tensor imaging-based cohort studies.

PubMed

Zimmerman-Moreno, Gali; Ben Bashat, Dafna; Artzi, Moran; Nefussy, Beatrice; Drory, Vivian; Aizenstein, Orna; Greenspan, Hayit

2016-02-01

We present a novel method for fiber-based comparison of diffusion tensor imaging (DTI) scans of groups of subjects. The method entails initial preprocessing and fiber reconstruction by tractography of each brain in its native coordinate system. Several diffusion parameters are sampled along each fiber and used in subsequent comparisons. A spatial correspondence between subjects is established based on geometric similarity between fibers in a template set (several choices for template are explored), and fibers in all other subjects. Diffusion parameters between groups are compared statistically for each template fiber. Results are presented at single fiber resolution. As an initial exploratory step in neurological population studies this method points to the locations affected by the pathology of interest, without requiring a hypothesis. It does not make any grouping assumptions on the fibers and no manual intervention is needed. The framework was applied here to 18 healthy subjects and 23 amyotrophic lateral sclerosis (ALS) patients. The results are compatible with previous findings and with the tract based spatial statistics (TBSS) method. Hum Brain Mapp 37:477-490, 2016. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

Thermal diffusivity of four Apollo 17 rock samples

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

Horai, K.; Winkler, J.L. Jr.

1976-01-01

The thermal diffusivities of four Apollo 17 rock samples (70017,77; 70215,18; 72395,14; and 77035,44) are measured in the temperature range between 180/sup 0/K and 460/sup 0/K at interstitial gaseous pressures of 1 atm and 10/sup -6/ torr of air. The thermal diffusivities at 1 atm are decreasing functions of temperature. Basalt samples (70017,77 and 70215,18) show higher thermal diffusivities than breccias (72395,14 and 77035,44), indicating that the thermal contact between mineral grains is better in crystalline rocks than in breccias. The magnitude of thermal diffusivities of the Apollo 17 basalt samples is intermediate between published diffusivities of Apollo 11 andmore » 12 basalts, suggesting that the intergranular cohesion of Apollo 17 basalts is weaker than that of Apollo 11 basalts but is stronger than that of Apollo 12 basalt. The thermal diffusivities measured at 10/sup -6/ torr are less temperature dependent. The basalt samples still show higher thermal diffusivities than the breccias, however. The low thermal diffusivity of the porous breccia sample (72395,14) is comparable to the lunar anorthositic gabbro (77017,24) studied by Mizutani and Osako (1974) that has the lowest thermal diffusivity of lunar rock samples ever reported. The difference between the thermal diffusivities the samples exhibit under atmospheric and vacuum conditions cannot be explained by the effect of thermal conduction through the gas medium filling the interstices of the samples that are absent under vacuum condition. A hypothesis is presented that the thermal conduction across the intergranular contact surfaces is strongly influenced by the adsorption of gas molecules on the surfaces of mineral grains. Measurements are also made in carbon dioxide atmosphere, in the temperature range between 200/sup 0/K and 460/sup 0/K.« less

Comparison of Sampling Methods to Determine the Impact of Aerobic Biodegradation on Benzene Concentrations at UST Sites

EPA Science Inventory

This material will be interesting to regulators and contractors who collect samples of soil gas to estimate the potential for vapor intrusion of buildings. In the absence of biodegradation, transport of vapors through the unsaturated zone is expected to be by diffusion, and t...

In-line electrochemical reagent generation coupled to a flow injection biamperometric system for the determination of sulfite in beverage samples.

PubMed

de Paula, Nattany T G; Barbosa, Elaine M O; da Silva, Paulo A B; de Souza, Gustavo C S; Nascimento, Valberes B; Lavorante, André F

2016-07-15

This work reports an in-line electrochemical reagent generation coupled to a flow injection biamperometric procedure for the determination of SO3(2-). The method was based on a redox reaction between the I3(-) and SO3(2-) ions, after the diffusion of SO2 through a gas diffusion chamber. Under optimum experimental conditions, a linear response ranging from 1.0 to 12.0 mg L(-1) (R=0.9999 and n=7), a detection and quantification limit estimated at 0.26 and 0.86 mg L(-1), respectively, a standard deviation relative of 0.4% (n=10) for a reference solution of 4.0 mg L(-1) SO3(2-) and sampling throughput for 40 determinations per hour were achieved. Addition and recovery tests with juice and wine samples were performed resulting in a range between 92% and 110%. There were no significant differences at a 95% confidence level in the analysis of eight samples when comparing the new method with a reference procedure. Copyright © 2016 Elsevier Ltd. All rights reserved.

Mapping Diffusion in a Living Cell via the Phasor Approach

PubMed Central

Ranjit, Suman; Lanzano, Luca; Gratton, Enrico

2014-01-01

Diffusion of a fluorescent protein within a cell has been measured using either fluctuation-based techniques (fluorescence correlation spectroscopy (FCS) or raster-scan image correlation spectroscopy) or particle tracking. However, none of these methods enables us to measure the diffusion of the fluorescent particle at each pixel of the image. Measurement using conventional single-point FCS at every individual pixel results in continuous long exposure of the cell to the laser and eventual bleaching of the sample. To overcome this limitation, we have developed what we believe to be a new method of scanning with simultaneous construction of a fluorescent image of the cell. In this believed new method of modified raster scanning, as it acquires the image, the laser scans each individual line multiple times before moving to the next line. This continues until the entire area is scanned. This is different from the original raster-scan image correlation spectroscopy approach, where data are acquired by scanning each frame once and then scanning the image multiple times. The total time of data acquisition needed for this method is much shorter than the time required for traditional FCS analysis at each pixel. However, at a single pixel, the acquired intensity time sequence is short; requiring nonconventional analysis of the correlation function to extract information about the diffusion. These correlation data have been analyzed using the phasor approach, a fit-free method that was originally developed for analysis of FLIM images. Analysis using this method results in an estimation of the average diffusion coefficient of the fluorescent species at each pixel of an image, and thus, a detailed diffusion map of the cell can be created. PMID:25517145

Temporal changes of diffusion patterns in mild traumatic brain injury via group-based semi-blind source separation.

PubMed

Jing, Min; McGinnity, T Martin; Coleman, Sonya; Fuchs, Armin; Kelso, J A Scott

2015-07-01

Despite the emerging applications of diffusion tensor imaging (DTI) to mild traumatic brain injury (mTBI), very few investigations have been reported related to temporal changes in quantitative diffusion patterns, which may help to assess recovery from head injury and the long term impact associated with cognitive and behavioral impairments caused by mTBI. Most existing methods are focused on detection of mTBI affected regions rather than quantification of temporal changes following head injury. Furthermore, most methods rely on large data samples as required for statistical analysis and, thus, are less suitable for individual case studies. In this paper, we introduce an approach based on spatial group independent component analysis (GICA), in which the diffusion scalar maps from an individual mTBI subject and the average of a group of controls are arranged according to their data collection time points. In addition, we propose a constrained GICA (CGICA) model by introducing the prior information into the GICA decomposition process, thus taking available knowledge of mTBI into account. The proposed method is evaluated based on DTI data collected from American football players including eight controls and three mTBI subjects (at three time points post injury). The results show that common spatial patterns within the diffusion maps were extracted as spatially independent components (ICs) by GICA. The temporal change of diffusion patterns during recovery is revealed by the time course of the selected IC. The results also demonstrate that the temporal change can be further influenced by incorporating the prior knowledge of mTBI (if available) based on the proposed CGICA model. Although a small sample of mTBI subjects is studied, as a proof of concept, the preliminary results provide promising insight for applications of DTI to study recovery from mTBI and may have potential for individual case studies in practice.

A control-volume method for analysis of unsteady thrust augmenting ejector flows

NASA Technical Reports Server (NTRS)

Drummond, Colin K.

1988-01-01

A method for predicting transient thrust augmenting ejector characteristics is presented. The analysis blends classic self-similar turbulent jet descriptions with a control volume mixing region discretization to solicit transient effects in a new way. Division of the ejector into an inlet, diffuser, and mixing region corresponds with the assumption of viscous-dominated phenomenon in the latter. Inlet and diffuser analyses are simplified by a quasi-steady analysis, justified by the assumptions that pressure is the forcing function in those regions. Details of the theoretical foundation, the solution algorithm, and sample calculations are given.

Helium Diffusion in Olivine

NASA Astrophysics Data System (ADS)

Cherniak, D. J.; Watson, E. B.

2011-12-01

Diffusion of helium has been characterized in natural Fe-bearing olivine (~Fo90) and synthetic forsterite. Polished, oriented slabs of olivine were implanted with 3He, at 100 keV at a dose of 5x1015/cm2 or at 3.0 MeV at a dose of 1x1016/cm2. A set of experiments on the implanted olivine were run in 1-atm furnaces. In addition to the one-atm experiments, experiments on implanted samples were also run at higher pressures (2.6 and 2.7 GPa) to assess the potential effects of pressure on He diffusion and the applicability of the measured diffusivities in describing He transport in the mantle. The high-pressure experiments were conducted in a piston-cylinder apparatus using an "ultra-soft" pressure cell, with the diffusion sample directly surrounded by AgCl. 3He distributions following experiments were measured with Nuclear Reaction Analysis using the reaction 3He(d,p)4He. This direct profiling method permits us to evaluate anisotropy of diffusion, which cannot be easily assessed using bulk-release methods. For diffusion in forsterite parallel to c we obtain the following Arrhenius relation over the temperatures 250-950°C: D = 3.91x10-6exp(-159 ± 4 kJ mol-1/RT) m2/sec. The data define a single Arrhenius line spanning more than 7 orders of magnitude in D and 700°C in temperature. Diffusion parallel to a appears slightly slower, yielding an activation energy for diffusion of 135 kJ/mol and a pre-exponential factor of 3.73x10-8 m2/sec. Diffusion parallel to b is slower than diffusion parallel to a (by about two-thirds of a log unit); for this orientation an activation energy of 138 kJ/mol and a pre-exponential factor of 1.34x10-8 m2/sec are obtained. This anisotropy is broadly consistent with observations for diffusion of Ni and Fe-Mg in olivine. Diffusion in Fe-bearing olivine (transport parallel to b) agrees within uncertainty with findings for He diffusion in forsterite. The higher-pressure experiments yield diffusivities in agreement with those from the 1-atm experiments, indicating that the results reported here can be reasonably applied to modeling He transport in the upper mantle. The insensitivity of He diffusion to pressure over the investigated range of conditions suggests that compression of the mineral lattice is not sufficient to significantly influence migration of the relatively small helium atoms, which likely diffuse via crystal interstices. The He diffusivities in this work are generally consistent with results from the study of Futagami et al. (1993), who measured He diffusion in natural olivine by outgassing 4He implanted samples, and with the diffusivities measured by bulk-release of 4He and 3He by Shuster et al. (2003), but are about 2 orders of magnitude slower than the recent findings of Tolstikhin et al. (2010) and Blard et al. (2008) . An up-temperature extrapolation of our data also show reasonable agreement with the higher-temperature measurements of Hart (1984). Blard et al. (2008) GCA 72, 3788-3803; Futagami et al. (1993) GCA 57, 3177-3194; Hart (1984) EPSL 70, 297-302; Shuster et al.( 2003) EPSL 217, 19-32; Tolstikhin et al. (2010) GCA 74, 1436-1447

A time-efficient acquisition protocol for multipurpose diffusion-weighted microstructural imaging at 7 Tesla.

PubMed

Sepehrband, Farshid; O'Brien, Kieran; Barth, Markus

2017-12-01

Several diffusion-weighted MRI techniques have been developed and validated during the past 2 decades. While offering various neuroanatomical inferences, these techniques differ in their proposed optimal acquisition design, preventing clinicians and researchers benefiting from all potential inference methods, particularly when limited time is available. This study reports an optimal design that enables for a time-efficient diffusion-weighted MRI acquisition scheme at 7 Tesla. The primary audience of this article is the typical end user, interested in diffusion-weighted microstructural imaging at 7 Tesla. We tested b-values in the range of 700 to 3000 s/mm 2 with different number of angular diffusion-encoding samples, against a data-driven "gold standard." The suggested design is a protocol with b-values of 1000 and 2500 s/mm 2 , with 25 and 50 samples, uniformly distributed over two shells. We also report a range of protocols in which the results of fitting microstructural models to the diffusion-weighted data had high correlation with the gold standard. We estimated minimum acquisition requirements that enable diffusion tensor imaging, higher angular resolution diffusion-weighted imaging, neurite orientation dispersion, and density imaging and white matter tract integrity across whole brain with isotropic resolution of 1.8 mm in less than 11 min. Magn Reson Med 78:2170-2184, 2017. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

Gold diffusion in mercury cadmium telluride grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Selamet, Yusuf; Singh, Rasdip; Zhao, Jun; Zhou, Yong D.; Sivananthan, Sivalingam; Dhar, Nibir K.

2003-12-01

The growth and characterization of Au-doped HgCdTe layers on (211)B CdTe/Si substrates grown by molecular beam epitaxy reported. The electrical properties of these layers studied for diffusion are presented. For ex-situ experiments, thin Au layers were deposited by evaporation and annealed at various temperatures and times to investigate the p-type doping properties and diffusion of Au in HgCdTe. The atomic distribution of the diffused Au was determined by secondary ion mass spectroscopy. We found clear evidence for p-type doping of HgCdTe:Au by in-situ and ex-situ methods. For in-situ doped layers, we found that, the Au cell temperature needs to be around 900°C to get p-type behavior. The diffusion coefficient of Au in HgCdTe was calculated by fitting SIMS profiles after annealing. Both complementary error functions and gaussian fittings were used, and were in full agreement. Diffusion coefficient as low as 8x10-14cm2/s observed for a sample annealed at 250°C and slow component of a diffusion coefficient as low as 2x10-15 cm2/s observed for a sample annealed at 300°C. Our preliminary results indicate no appreciable diffusion of Au in HgCdTe under the conditions used in these studies. Further work is in progress to confirm these results and to quantify our SIMS profiles.

Trifluoromethyl Sulfur Pentafluoride (SF5CF3) and Sulfur Hexafluoride (SF6) from Dome Concordia (1965-1999)

DOE Data Explorer

Sturges, W. T. [School of Environmental Sciences, University of East Anglia, Norwich, United Kingdom; Wallington, T. J. [Ford Motor Company, Dearborn, Michigan; Hurley, M. D. [Ford Motor Company, Dearborn, Michigan; Shine, K. P. [Department of Meteorology, University of Reading, Reading, United Kingdom; Sihra, K. [Department of Meteorology, University of Reading, Reading, United Kingdom; Engel, A. [Institute for Meteorology and Geophysics, Johann Wolfgang Goethe University of Frankfurt, Frankfurt, Germany; Oram, D. E. [School of Environmental Sciences, University of East Anglia, Norwich, United Kingdom; Penkett, S. A. [School of Environmental Sciences, University of East Anglia, Norwich, United Kingdom; Mulvaney, R. [British Antarctic Survey, Natural Environmental Research Council, Cambridge, United Kingdom; Brenninkmeijer, C A. M. [Atmospheric Chemistry Division, Max Planck Institute for Chemistry, Mainz, Germany

2000-10-01

The sampling and analytical methods are described more fully in Sturges et al. (2000). In summary, air samples were pumped from consolidated deep snow (firn) at Dome Concordia (eastern Antarctica) in December 1998 and January 1999, from the surface to a depth of approximately 100 m. Air samples were analyzed with a gas chromatograph - mass spectrometer, with a detection limit of about 0.001 parts per trillion (ppt). A diffusive transport model was used to calculate the age of samples as a function of depth. Measurements of SF6 were used to determine the mean age of the firn air by comparison with extrapolated measurements from Cape Grim, Tasmania combined with estimates from industrial emissions (Maiss and Brenninkmeijer 1998, adapted by Sturges et al. 2000). Dates for SF5CF3 are different than for SF6 due to the lower diffusivity of SF5CF3: the SF6 ages were multiplied by the ratio of the free-air diffusion coefficient of SF5CF3 to that of SF6 (1.18). Free-air diffusion coefficients were determined by a semi-empirical formula based on molecular volumes (Fuller et al. 1966). Note that mean ages represent a very wide distribution of probable ages spanning many years, with an increasing spread of ages at increasing depth

Raman Spectroscopy of Isotopic Water Diffusion in Ultraviscous, Glassy, and Gel States in Aerosol by Use of Optical Tweezers.

PubMed

Davies, James F; Wilson, Kevin R

2016-02-16

The formation of ultraviscous, glassy, and amorphous gel states in aqueous aerosol following the loss of water results in nonequilibrium dynamics due to the extended time scales for diffusive mixing. Existing techniques for measuring water diffusion by isotopic exchange are limited by contact of samples with the substrate, and methods applied to infer diffusion coefficients from mass transport in levitated droplets requires analysis by complex coupled differential equations to derive diffusion coefficients. We present a new technique that combines contactless levitation with aerosol optical tweezers with isotopic exchange (D2O/H2O) to measure the water diffusion coefficient over a broad range (Dw ≈ 10(-12)-10(-17) m(2)·s(-1)) in viscous organic liquids (citric acid, sucrose, and shikimic acid) and inorganic gels (magnesium sulfate, MgSO4). For the organic liquids in binary and ternary mixtures, Dw depends on relative humidity and follows a simple compositional Vignes relationship. In MgSO4 droplets, water diffusivity decreases sharply with water activity and is consistent with predictions from percolation theory. These measurements show that, by combining micrometer-sized particle levitation (a contactless measurement with rapid mixing times) with an established probe of water diffusion, Dw can be simply and directly quantified for amorphous and glassy states that are inaccessible to existing methods.

Raman Spectroscopy of Isotopic Water Diffusion in Ultraviscous, Glassy, and Gel States in Aerosol by Use of Optical Tweezers

DOE PAGES

Davies, James F.; Wilson, Kevin R.

2016-01-11

The formation of ultraviscous, glassy, and amorphous gel states in aqueous aerosol following the loss of water results in nonequilibrium dynamics due to the extended time scales for diffusive mixing. Existing techniques for measuring water diffusion by isotopic exchange are limited by contact of samples with the substrate, and methods applied to infer diffusion coefficients from mass transport in levitated droplets requires analysis by complex coupled differential equations to derive diffusion coefficients. Here, we present a new technique that combines contactless levitation with aerosol optical tweezers with isotopic exchange (D 2O/H 2O) to measure the water diffusion coefficient over amore » broad range (D w ≈ 10 -12-10 -17 m 2s -1) in viscous organic liquids (citric acid, sucrose, and shikimic acid) and inorganic gels (magnesium sulfate, MgSO 4). For the organic liquids in binary and ternary mixtures, D w depends on relative humidity and follows a simple compositional Vignes relationship. In MgSO 4 droplets, water diffusivity decreases sharply with water activity and is consistent with predictions from percolation theory. These measurements show that, by combining micrometer-sized particle levitation (a contactless measurement with rapid mixing times) with an established probe of water diffusion, D w can be simply and directly quantified for amorphous and glassy states that are inaccessible to existing methods.« less

Controlling mechanisms of moisture diffusion in convective drying of leather

NASA Astrophysics Data System (ADS)

Benmakhlouf, Naima; Azzouz, Soufien; Monzó-Cabrera, Juan; Khdhira, Hechmi; ELCafsi, Afif

2017-04-01

Leather manufacturing involves a crucial energy-intensive drying stage in the finishing process to remove its residual moisture. It occurs several times in the tanning course. As it is the target of this paper to depict an experimental way to determine moisture diffusion in the convective drying of leather. The effective diffusion coefficient is estimated by a method derived from Fick's law and by analytic method. The effective diffusion coefficients are obtained from drying tests and the diffusivity behaviour is studied versus the controlling parameter such as the convective airflow temperature. The experiments were conducted at hot air temperatures of 40, 45, 50, 55 and 60 °C and hot air speed of 1 m/s. The hot air temperature had significant effect on the effective moisture diffusivity of the leather sample. The average effective moisture diffusivity in rosehip ranged between 5.87 × 10-11 and 14.48 × 10-11 m2/s for leather at the temperatures studied. Activation energy for convective drying was found to be 38.46 kJ/mol for leather. The obtained results fully confirm the theoretical study in which an exponentially increasing relationship between effective diffusivity and temperature is predicted. The results of this study provide a better understanding of the drying mechanisms and may lead to a series of recommendations for leather drying optimization. It opens the possibility for further investigations on the description of drying conditions.

Helium measurements of pore fluids obtained from the San Andreas Fault Observatory at Depth (SAFOD, USA) drill cores

NASA Astrophysics Data System (ADS)

Ali, S.; Stute, M.; Torgersen, T.; Winckler, G.; Kennedy, B. M.

2011-02-01

4He accumulated in fluids is a well established geochemical tracer used to study crustal fluid dynamics. Direct fluid samples are not always collectable; therefore, a method to extract rare gases from matrix fluids of whole rocks by diffusion has been adapted. Helium was measured on matrix fluids extracted from sandstones and mudstones recovered during the San Andreas Fault Observatory at Depth (SAFOD) drilling in California, USA. Samples were typically collected as subcores or from drillcore fragments. Helium concentration and isotope ratios were measured 4-6 times on each sample, and indicate a bulk 4He diffusion coefficient of 3.5 ± 1.3 × 10-8 cm2 s-1 at 21°C, compared to previously published diffusion coefficients of 1.2 × 10-18 cm2 s-1 (21°C) to 3.0 × 10-15 cm2 s-1 (150°C) in the sands and clays. Correcting the diffusion coefficient of 4Hewater for matrix porosity (˜3%) and tortuosity (˜6-13) produces effective diffusion coefficients of 1 × 10-8 cm2 s-1 (21°C) and 1 × 10-7 (120°C), effectively isolating pore fluid 4He from the 4He contained in the rock matrix. Model calculations indicate that <6% of helium initially dissolved in pore fluids was lost during the sampling process. Complete and quantitative extraction of the pore fluids provide minimum in situ porosity values for sandstones 2.8 ± 0.4% (SD, n = 4) and mudstones 3.1 ± 0.8% (SD, n = 4).

Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles

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

Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.

2015-07-28

A method of simulating X-ray diffuse scattering from multi-model PDB files is presented. Despite similar agreement with Bragg data, different translation–libration–screw refinement strategies produce unique diffuse intensity patterns. Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling andmore » validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier’s equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls-as-xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. These methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis.« less

Measuring the temperature dependent thermal diffusivity of geomaterials using high-speed differential scanning calorimetry

NASA Astrophysics Data System (ADS)

von Aulock, Felix W.; Wadsworth, Fabian B.; Vasseur, Jeremie; Lavallée, Yan

2016-04-01

Heat diffusion in the Earth's crust is critical to fundamental geological processes, such as the cooling of magma, heat dissipation during and following transient heating events (e.g. during frictional heating along faults), and to the timescales of contact metamorphosis. The complex composition and multiphase nature of geomaterials prohibits the accurate modeling of thermal diffusivities and measurements over a range of temperatures are sparse due to the specialized nature of the equipment and lack of instrument availability. We present a novel method to measure the thermal diffusivity of geomaterials such as minerals and rocks with high precision and accuracy using a commercially available differential scanning calorimeter (DSC). A DSC 404 F1 Pegasus® equipped with a Netzsch high-speed furnace was used to apply a step-heating program to corundum single crystal standards of varying thicknesses. The standards were cylindrical discs of 0.25-1 mm thickness with 5.2-6 mm diameter. Heating between each 50 °C temperature interval was conducted at a rate of 100 °C/min over the temperature range 150-1050 °C. Such large heating rates induces temperature disequilibrium in the samples used. However, isothermal segments of 2 minutes were used during which the temperature variably equilibrated with the furnace between the heating segments and thus the directly-measured heat-flow relaxed to a constant value before the next heating step was applied. A finite-difference 2D conductive heat transfer model was used in cylindrical geometry for which the measured furnace temperature was directly applied as the boundary condition on the sample-cylinder surfaces. The model temperature was averaged over the sample volume per unit time and converted to heat-flow using the well constrained thermal properties for corundum single crystals. By adjusting the thermal diffusivity in the model solution and comparing the resultant heat-flow with the measured values, we obtain a model calibration for the thermal diffusivity of corundum. Preliminary calibration tests suggest a very good correlation between the measured results compared with literature values of the thermal diffusivity of this standard material. However, more measurements on standard materials are needed to guarantee the accuracy of the presented technique for measuring the thermal diffusion of materials and apply this method to numerical models for relevant processes in geoscience.

Optical device for thermal diffusivity determination in liquids by reflection of a thermal wave

NASA Astrophysics Data System (ADS)

Sánchez-Pérez, C.; De León-Hernández, A.; García-Cadena, C.

2017-08-01

In this work, we present a device for determination of the thermal diffusivity using the oblique reflection of a thermal wave within a solid slab that is in contact with the medium to be characterized. By using the reflection near a critical angle under the assumption that thermal waves obey Snell's law of refraction with the square root of the thermal diffusivities, the unknown thermal diffusivity is obtained by simple formulae. Experimentally, the sensor response is measured using the photothermal beam deflection technique within a slab that results in a compact device with no contact of the laser probing beam with the sample. We describe the theoretical basis and provide experimental results to validate the proposed method. We determine the thermal diffusivity of tridistilled water and glycerin solutions with an error of less than 0.5%.

New method and installation for rapid determination of radon diffusion coefficient in various materials.

PubMed

Tsapalov, Andrey; Gulabyants, Loren; Livshits, Mihail; Kovler, Konstantin

2014-04-01

The mathematical apparatus and the experimental installation for the rapid determination of radon diffusion coefficient in various materials are developed. The single test lasts not longer than 18 h and allows testing numerous materials, such as gaseous and liquid media, as well as soil, concrete and radon-proof membranes, in which diffusion coefficient of radon may vary in an extremely wide range, from 1·10(-12) to 5·10(-5) m(2)/s. The uncertainty of radon diffusion coefficient estimation depends on the permeability of the sample and varies from about 5% (for the most permeable materials) to 40% (for less permeable materials, such as radon-proof membranes). Copyright © 2014. Published by Elsevier Ltd.

Maskless direct laser writing with visible light: Breaking through the optical resolving limit with cooperative manipulations of nonlinear reverse saturation absorption and thermal diffusion

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

Wei, Jingsong, E-mail: weijingsong@siom.ac.cn; Wang, Rui; University of Chinese Academy of Sciences, Beijing 100049

In this work, the resolving limit of maskless direct laser writing is overcome by cooperative manipulation from nonlinear reverse saturation absorption and thermal diffusion, where the nonlinear reverse saturation absorption can induce the formation of below diffraction-limited energy absorption spot, and the thermal diffusion manipulation can make the heat quantity at the central region of energy absorption spot propagate along the thin film thickness direction. The temperature at the central region of energy absorption spot transiently reaches up to melting point and realizes nanolithography. The sample “glass substrate/AgInSbTe” is prepared, where AgInSbTe is taken as nonlinear reverse saturation absorption thinmore » film. The below diffraction-limited energy absorption spot is simulated theoretically and verified experimentally by near-field spot scanning method. The “glass substrate/Al/AgInSbTe” sample is prepared, where the Al is used as thermal conductive layer to manipulate the thermal diffusion channel because the thermal diffusivity coefficient of Al is much larger than that of AgInSbTe. The direct laser writing is conducted by a setup with a laser wavelength of 650 nm and a converging lens of NA=0.85, the lithographic marks with a size of about 100 nm are obtained, and the size is only about 1/10 the incident focused spot. The experimental results indicate that the cooperative manipulation from nonlinear reverse saturation absorption and thermal diffusion is a good method to realize nanolithography in maskless direct laser writing with visible light.« less

Measurement of the eddy diffusion term in chromatographic columns. I. Application to the first generation of 4.6mm I.D. monolithic columns.

PubMed

Gritti, Fabrice; Guiochon, Georges

2011-08-05

The corrected heights equivalent to a theoretical plate (HETP) of three 4.6mm I.D. monolithic Onyx-C(18) columns (Onyx, Phenomenex, Torrance, CA) of different lengths (2.5, 5, and 10 cm) are reported for retained (toluene, naphthalene) and non-retained (uracil, caffeine) small molecules. The moments of the peak profiles were measured according to the accurate numerical integration method. Correction for the extra-column contributions was systematically applied. The peak parking method was used in order to measure the bulk diffusion coefficients of the sample molecules, their longitudinal diffusion terms, and the eddy diffusion term of the three monolithic columns. The experimental results demonstrate that the maximum efficiency was 60,000 plates/m for retained compounds. The column length has a large impact on the plate height of non-retained species. These observations were unambiguously explained by a large trans-column eddy diffusion term in the van Deemter HETP equation. This large trans-rod eddy diffusion term is due to the combination of a large trans-rod velocity bias (≃3%), a small radial dispersion coefficient in silica monolithic columns, and a poorly designed distribution and collection of the sample streamlets at the inlet and outlet of the monolithic rod. Improving the performance of large I.D. monolithic columns will require (1) a detailed knowledge of the actual flow distribution across and along these monolithic rod and (2) the design of appropriate inlet and outlet distributors designed to minimize the nefarious impact of the radial flow heterogeneity on band broadening. Copyright © 2011 Elsevier B.V. All rights reserved.

Development and application of variable angle internal reflection Raman spectroscopy for vibrationally specific depth-profiling of polymer thin films

NASA Astrophysics Data System (ADS)

Fontaine, Norman Henry

1997-10-01

Techniques which can be used to obtain depth-resolved information on the thermodynamics at polymer-polymer and polymer-wall interfaces, and of small molecule diffusion in polymers, are of particular interest to industry. Optical methods which are sensitive to molecular vibrations (such as internal reflection Raman spectroscopy) are advantageous because they can non- destructively probe molecular content, orientation, and polarity of the local environment in a sample. However, while optical internal reflection depth-profiling methods have been reported, they have never progressed beyond the demonstration stage. In this work, the theory and methodology of internal reflection spectroscopy are developed and optimized into a rigorous field-controlled spectroscopic technique. A novel asymmetric internal reflection element (IRE) is introduced which traps back-reflections, allowing precise evanescent and standing wave probe-field control in the sample for all angles of incidence. It is demonstrated that a Gaussian laser beam will best approximate an infinite homogeneous plane wave when the IRE/sample interface lies in the paraxial-Fraunhofer region (far- field) of the beam path. Calibration methods are presented, sources of systematic errors are identified, and the angular resolution limit (ARL) is introduced as a measure of the field control developed in a sample by any internal reflection method. A general model of Raman scattering and photon detection from multi-layer thin films is developed. A new and generalized operator based transfer matrix method is developed and applied to electromagnetic field and diffusion computations in multi-layer systems. Total internal reflection spectroscopy is extended to include sub-critical angles of incidence, where resonant field enhancements generate large and selective amplification of the probe-field intensity within the layers of the sample. Fitting these resonances to the model spectral intensities allows unique determination of the location of buried interfaces in micron-sized polymer multi-layers with nanometer scale precision and the refractive indices of the layers with precision of /Delta n/approx/pm 0.0001. The Raman active molecular content of each optically distinct layer of the film is determinable simultaneously with the optical properties. Resonant mode VAIRRS studies of poly(methyl methacrylate) films spun-cast from toluene and then dried under ambient conditions have shown evidence for toluene diffusion concurrent with a rotationally hindered relaxation of oriented ester side groups about the polymer backbone. Low temperature annealing (≈87oC) has shown evidence that this hindered rotational relaxation may be reversible. VAIRRS study of a polystyrene/poly(methyl methacrylate) bi-layer has detected evidence for toluene diffusion across the buried polymer-polymer interface.

Multi-Dimensional, Mesoscopic Monte Carlo Simulations of Inhomogeneous Reaction-Drift-Diffusion Systems on Graphics-Processing Units

PubMed Central

Vigelius, Matthias; Meyer, Bernd

2012-01-01

For many biological applications, a macroscopic (deterministic) treatment of reaction-drift-diffusion systems is insufficient. Instead, one has to properly handle the stochastic nature of the problem and generate true sample paths of the underlying probability distribution. Unfortunately, stochastic algorithms are computationally expensive and, in most cases, the large number of participating particles renders the relevant parameter regimes inaccessible. In an attempt to address this problem we present a genuine stochastic, multi-dimensional algorithm that solves the inhomogeneous, non-linear, drift-diffusion problem on a mesoscopic level. Our method improves on existing implementations in being multi-dimensional and handling inhomogeneous drift and diffusion. The algorithm is well suited for an implementation on data-parallel hardware architectures such as general-purpose graphics processing units (GPUs). We integrate the method into an operator-splitting approach that decouples chemical reactions from the spatial evolution. We demonstrate the validity and applicability of our algorithm with a comprehensive suite of standard test problems that also serve to quantify the numerical accuracy of the method. We provide a freely available, fully functional GPU implementation. Integration into Inchman, a user-friendly web service, that allows researchers to perform parallel simulations of reaction-drift-diffusion systems on GPU clusters is underway. PMID:22506001

Simulated Tempering Distributed Replica Sampling, Virtual Replica Exchange, and Other Generalized-Ensemble Methods for Conformational Sampling.

PubMed

Rauscher, Sarah; Neale, Chris; Pomès, Régis

2009-10-13

Generalized-ensemble algorithms in temperature space have become popular tools to enhance conformational sampling in biomolecular simulations. A random walk in temperature leads to a corresponding random walk in potential energy, which can be used to cross over energetic barriers and overcome the problem of quasi-nonergodicity. In this paper, we introduce two novel methods: simulated tempering distributed replica sampling (STDR) and virtual replica exchange (VREX). These methods are designed to address the practical issues inherent in the replica exchange (RE), simulated tempering (ST), and serial replica exchange (SREM) algorithms. RE requires a large, dedicated, and homogeneous cluster of CPUs to function efficiently when applied to complex systems. ST and SREM both have the drawback of requiring extensive initial simulations, possibly adaptive, for the calculation of weight factors or potential energy distribution functions. STDR and VREX alleviate the need for lengthy initial simulations, and for synchronization and extensive communication between replicas. Both methods are therefore suitable for distributed or heterogeneous computing platforms. We perform an objective comparison of all five algorithms in terms of both implementation issues and sampling efficiency. We use disordered peptides in explicit water as test systems, for a total simulation time of over 42 μs. Efficiency is defined in terms of both structural convergence and temperature diffusion, and we show that these definitions of efficiency are in fact correlated. Importantly, we find that ST-based methods exhibit faster temperature diffusion and correspondingly faster convergence of structural properties compared to RE-based methods. Within the RE-based methods, VREX is superior to both SREM and RE. On the basis of our observations, we conclude that ST is ideal for simple systems, while STDR is well-suited for complex systems.

Rapid and quantitative detection of the microbial spoilage in chicken meat by diffuse reflectance spectroscopy (600-1100 nm).

PubMed

Lin, M; Al-Holy, M; Mousavi-Hesary, M; Al-Qadiri, H; Cavinato, A G; Rasco, B A

2004-01-01

To evaluate the feasibility of visible and short-wavelength near-infrared (SW-NIR) diffuse reflectance spectroscopy (600-1100 nm) to quantify the microbial loads in chicken meat and to develop a rapid methodology for monitoring the onset of spoilage. Twenty-four prepackaged fresh chicken breast muscle samples were prepared and stored at 21 degrees C for 24 h. Visible and SW-NIR was used to detect and quantify the microbial loads in chicken breast muscle at time intervals of 0, 2, 4, 6, 8, 10, 12 and 24 h. Spectra were collected in the diffuse reflectance mode (600-1100 nm). Total aerobic plate count (APC) of each sample was determined by the spread plate method at 32 degrees C for 48 h. Principal component analysis (PCA) and partial least squares (PLS) based prediction models were developed. PCA analysis showed clear segregation of samples held 8 h or longer compared with 0-h control. An optimum PLS model required eight latent variables for chicken muscle (R = 0.91, SEP = 0.48 log CFU g(-1)). Visible and SW-NIR combined with PCA is capable of perceiving the change of the microbial loads in chicken muscle once the APC increases slightly above 1 log cycle. Accurate quantification of the bacterial loads in chicken muscle can be calculated from the PLS-based prediction method. Visible and SW-NIR spectroscopy is a technique with a considerable potential for monitoring food safety and food spoilage. Visible and SW-NIR can acquire a metabolic snapshot and quantify the microbial loads of food samples rapidly, accurately, and noninvasively. This method would allow for more expeditious applications of quality control in food industries.

The Analytical Limits of Modeling Short Diffusion Timescales

NASA Astrophysics Data System (ADS)

Bradshaw, R. W.; Kent, A. J.

2016-12-01

Chemical and isotopic zoning in minerals is widely used to constrain the timescales of magmatic processes such as magma mixing and crystal residence, etc. via diffusion modeling. Forward modeling of diffusion relies on fitting diffusion profiles to measured compositional gradients. However, an individual measurement is essentially an average composition for a segment of the gradient defined by the spatial resolution of the analysis. Thus there is the potential for the analytical spatial resolution to limit the timescales that can be determined for an element of given diffusivity, particularly where the scale of the gradient approaches that of the measurement. Here we use a probabilistic modeling approach to investigate the effect of analytical spatial resolution on estimated timescales from diffusion modeling. Our method investigates how accurately the age of a synthetic diffusion profile can be obtained by modeling an "unknown" profile derived from discrete sampling of the synthetic compositional gradient at a given spatial resolution. We also include the effects of analytical uncertainty and the position of measurements relative to the diffusion gradient. We apply this method to the spatial resolutions of common microanalytical techniques (LA-ICP-MS, SIMS, EMP, NanoSIMS). Our results confirm that for a given diffusivity, higher spatial resolution gives access to shorter timescales, and that each analytical spacing has a minimum timescale, below which it overestimates the timescale. For example, for Ba diffusion in plagioclase at 750 °C timescales are accurate (within 20%) above 10, 100, 2,600, and 71,000 years at 0.3, 1, 5, and 25 mm spatial resolution, respectively. For Sr diffusion in plagioclase at 750 °C, timescales are accurate above 0.02, 0.2, 4, and 120 years at the same spatial resolutions. Our results highlight the importance of selecting appropriate analytical techniques to estimate accurate diffusion-based timescales.

Investigation of thermal transport in polymer composites with percolating networks of silver thin films by the flash diffusivity method

NASA Astrophysics Data System (ADS)

Pettersen, Sigurd R.; Nagao, Shijo; Kristiansen, Helge; Helland, Susanne; Njagi, John; Suganuma, Katsuaki; Zhang, Zhiliang; He, Jianying

2017-01-01

The flash diffusivity method, also known as laser flash analysis (LFA), is commonly used to obtain the thermal diffusivity (α) and thermal conductivity (κ) of materials, due to its relative simplicity, rapid measurements, small sample size requirement, and standardized commercially available instruments. In this work, an epoxy adhesive was filled with a large fraction of homogeneous micron-sized polymethylmethacrylate spheres coated with thin silver films, such that a percolating metallic network that dominated the electric and thermal transport formed through the polymer at <3 vol. % silver. Specific heat capacity (Cp) was measured from the LFA measurements by a comparative method and from the total and reversible heat flow signals of modulated differential scanning calorimetry (MDSC). κ was estimated as the product of α, Cp, and density (ρ) and was found to vary significantly with the method to find Cp. The electron contribution was found from the electrical conductivity by the Wiedemann-Franz law and was used to elucidate the thermal transport mechanisms in the composite. A theoretical background for the various methods is included.

Gas-diffusion microextraction coupled with spectrophotometry for the determination of formaldehyde in cork agglomerates.

PubMed

Brandão, Pedro F; Ramos, Rui M; Valente, Inês M; Almeida, Paulo J; Carro, Antonia M; Lorenzo, Rosa A; Rodrigues, José A

2017-04-01

In this work, a simple methodology was developed for the extraction and determination of free formaldehyde content in cork agglomerate samples. For the first time, gas-diffusion microextraction was used for the extraction of volatile formaldehyde directly from samples, with simultaneous derivatization with acetylacetone (Hantzsch reaction). The absorbance of the coloured solution was read in a spectrophotometer at 412 nm. Different extraction parameters were studied and optimized (extraction temperature, sample mass, volume of acceptor solution, extraction time and concentration of derivatization reagent) by means of an asymmetric screening. The developed methodology proved to be a reliable tool for the determination of formaldehyde in cork agglomerates with the following suitable method features: low LOD (0.14 mg kg -1 ) and LOQ (0.47 mg kg -1 ), r 2  = 0.9994, and intraday and interday precision of 3.5 and 4.9%, respectively. The developed methodology was applied to the determination of formaldehyde in different cork agglomerate samples, and contents between 1.9 and 9.4 mg kg -1 were found. Furthermore, formaldehyde was also determined by the standard method EN 717-3 for comparison purposes; no significant differences between the results of both methods were observed. Graphical abstract Representation of the GDME system and its main components.

Measurement of Soret and Fickian diffusion coefficients by orthogonal phase-shifting interferometry and its application to protein aqueous solutions

NASA Astrophysics Data System (ADS)

Torres, Juan F.; Komiya, Atsuki; Henry, Daniel; Maruyama, Shigenao

2013-08-01

We have developed a method to measure thermodiffusion and Fickian diffusion in transparent binary solutions. The measuring instrument consists of two orthogonally aligned phase-shifting interferometers coupled with a single rotating polarizer. This high-resolution interferometer, initially developed to measure isothermal diffusion coefficients in liquid systems [J. F. Torres, A. Komiya, E. Shoji, J. Okajima, and S. Maruyama, Opt. Lasers Eng. 50, 1287 (2012)], was modified to measure transient concentration profiles in binary solutions subject to a linear temperature gradient. A convectionless thermodiffusion field was created in a binary solution sample that is placed inside a Soret cell. This cell consists of a parallelepiped cavity with a horizontal cross-section area of 10 × 20 mm2, a variable height of 1-2 mm, and transparent lateral walls. The small height of the cell reduces the volume of the sample, shortens the measurement time, and increases the hydrodynamic stability of the system. An additional free diffusion experiment with the same optical apparatus provides the so-called contrast factors that relate the unwrapped phase and concentration gradients, i.e., the measurement technique is independent and robust. The Soret coefficient is determined from the concentration and temperature differences between the upper and lower boundaries measured by the interferometer and thermocouples, respectively. The Fickian diffusion coefficient is obtained by fitting a numerical solution to the experimental concentration profile. The method is validated through the measurement of thermodiffusion in the well-known liquid pairs of ethanol-water (ethanol 39.12 wt.%) and isobutylbenzene-dodecane (50.0 wt.%). The obtained coefficients agree with the literature values within 5.0%. Finally, the developed technique is applied to visualize biomolecular thermophoresis. Two protein aqueous solutions at 3 mg/ml were used as samples: aprotinin (6.5 kDa)-water and lysozyme (14.3 kDa)-water. It was found that the former protein molecules are thermophilic and the latter thermophobic. In contrast to previously reported methods, this technique is suitable for both short time and negative Soret coefficient measurements.

Transmittance enhancement of sapphires with antireflective subwavelength grating patterned UV polymer surface structures by soft lithography.

PubMed

Lee, Soo Hyun; Leem, Jung Woo; Yu, Jae Su

2013-12-02

We report the total and diffuse transmission enhancement of sapphires with the ultraviolet curable SU8 polymer surface structures consisting of conical subwavelength gratings (SWGs) at one- and both-side surfaces for different periods. The SWGs patterns on the silicon templates were transferred into the SU8 polymer film surface on sapphires by a simple and cost-effective soft lithography technique. For the fabricated samples, the surface morphologies, wetting behaviors, and optical characteristics were investigated. For theoretical optical analysis, a rigorous coupled-wave analysis method was used. At a period of 350 nm, the sample with SWGs on SU8 film/sapphire exhibited a hydrophobic surface and higher total transmittance compared to the bare sapphire over a wide wavelength of 450-1000 nm. As the period of SWGs was increased, the low total transmittance region of < 85% was shifted towards the longer wavelengths and became broader while the diffuse transmittance was increased (i.e., larger haze ratio). For the samples with SWGs at both-side surfaces, the total and diffuse transmittance spectra were further enhanced compared to the samples with SWGs at one-side surface. The theoretical optical calculation results showed a similar trend to the experimentally measured data.

Colloidal diffusion over a quasicrystalline-patterned substrate

NASA Astrophysics Data System (ADS)

Su, Yun; Lai, Pik-Yin; Ackerson, Bruce; Tong, Penger

We report a systematic study of colloidal diffusion over a quasicrystalline-patterned substrate. The sample substrate is made of a flat thin layer of photoresist and contains identical cylindrical holes of diameter dh, which are arranged on a quasicrystal lattice. A monolayer of silica spheres of diameter comparable to dh diffuse over the rugged quasicrystalline-patterned substrate and experience a gravitational potential U (x , y) . With optical microscopy and the particle tracking method, we measure U (x , y) and particle's diffusion trajectories, which are found to undergo two distinct states: a trapped state when the particles are inside the holes and a free diffusion state when they are over the flat portion of the substrate. The dynamic properties of the diffusing particle, such as its mean dwell time, mean square displacement, and long-time diffusion coefficient DL are obtained from the particle trajectories. The measured DL is found to be in good agreement with the prediction of two theoretical models proposed for diffusion over a quasicrystal lattice. The experiment demonstrates the applications of this newly constructed colloidal potential landscape. This work was supported by the Research Grants Council of Hong Kong SAR.

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.

A compendium of controlled diffusion blades generated by an automated inverse design procedure

NASA Technical Reports Server (NTRS)

Sanz, Jose M.

1989-01-01

A set of sample cases was produced to test an automated design procedure developed at the NASA Lewis Research Center for the design of controlled diffusion blades. The range of application of the automated design procedure is documented. The results presented include characteristic compressor and turbine blade sections produced with the automated design code as well as various other airfoils produced with the base design method prior to the incorporation of the automated procedure.

Isopycnal diffusivity in the tropical North Atlantic oxygen minimum zone

NASA Astrophysics Data System (ADS)

Köllner, Manuela; Visbeck, Martin; Tanhua, Toste; Fischer, Tim

2017-04-01

Isopycnal diffusivity plays an important role in the ventilation of the Eastern Tropical North Atlantic (ETNA) Oxygen Minimum Zone (OMZ). Lateral tracer transport is described by isopycnal diffusivity and mean advection of the tracer (e.g. oxygen), together they account for up to 70% of the oxygen supply for the OMZ. One of the big challenges is to separate diffusivity from advection. Isopycnal diffusivity was estimated to be Ky=(500 ± 200) m2 s-1 and Kx=(1200 ± 600) m2 s-1 by Banyte et. al (2013) from a Tracer Release Experiment (TRE). Hahn et al. (2014) estimated a meridional eddy diffusivity of 1350 m2 s-1 at 100 m depth decaying to less than 300 m2 s-1 below 800 m depth from repeated ship sections of CTD and ADCP data in addition with hydrographic mooring data. Uncertainties of the estimated diffusivities were still large, thus the Oxygen Supply Tracer Release Experiment (OSTRE) was set up to estimate isopycnal diffusivity in the OMZ using a newly developed sampling strategy of a control volume. The tracer was released in 2012 in the core of the OMZ at approximately 410 m depth and mapped after 6, 15 and 29 months in a regular grid. In addition to the calculation of tracer column integrals from vertical tracer profiles a new sampling method was invented and tested during two of the mapping cruises. The mean eddy diffusivity during OSTRE was found to be about (300 ± 130) m2 s-1. Additionally, the tracer has been advected further to the east and west by zonal jets. We compare different analysis methods to estimate isopycnal diffusivity from tracer spreading and show the advantage of the control volume surveys and control box approach. From the control box approach we are estimating the strength of the zonal jets within the OMZ core integrated over the TRE time period. References: Banyte, D., Visbeck, M., Tanhua, T., Fischer, T., Krahmann, G.,Karstensen, J., 2013. Lateral Diffusivity from Tracer Release Experiments in the Tropical North Atlantic Thermocline. Journal of Geophysical Research 118. Hahn, J., Brandt, P., Greatbatch, R., Krahmann, G., Körtzinger, A., 2014. Oxygen variance and meridional oxygen supply in the Tropical North East Atlantic oxygen minimum zone. Climate Dynamics 43, 2999-3024.

SIEST-A-RT: a study of vacancy diffusion in crystalline silicon using a local-basis first-principle (SIESTA) activation technique (ART).

NASA Astrophysics Data System (ADS)

El Mellouhi, Fedwa; Mousseau, Normand; Ordejón, Pablo

2003-03-01

We report on a first-principle study of vacancy-induced self-diffusion in crystalline silicon. Our simulations are performed on supercells containing 63 and 215 atoms. We generate the diffusion paths using the activation-relaxation technique (ART) [1], which can sample efficiently the energy landscape of complex systems. The forces and energy are evaluated using SIESTA [2], a selfconsistent density functional method using standard norm-conserving pseudopotentials and a flexible numerical linear combination of atomic orbitals basis set. Combining these two methods allows us to identify diffusion paths that would not be reachable with this degree of accuracy, using other methods. After a full relaxation of the neutral vacancy, we proceed to search for local diffusion paths. We identify various mechanisms like the formation of the four fold coordinated defect, and the recombination of dangling bonds by WWW process. The diffusion of the vacancy proceeds by hops to first nearest neighbor with an energy barrier of 0.69 eV. This work is funded in part by NSERC and NATEQ. NM is a Cottrell Scholar of the Research Corporation. [1] G. T. Barkema and N. Mousseau, Event-based relaxation of continuous disordered systems, Phys. Rev. Lett. 77, 4358 (1996); N. Mousseau and G. T. Barkema, Traveling through potential energy landscapes of disordered materials: ART, Phys. Rev. E 57, 2419 (1998). [2] Density functional method for very large systems with LCAO basis sets D. Sánchez-Portal, P. Ordejón, E. Artacho and J. M. Soler, Int. J. Quant. Chem. 65, 453 (1997).

The diffusion approximation. An application to radiative transfer in clouds

NASA Technical Reports Server (NTRS)

Arduini, R. F.; Barkstrom, B. R.

1976-01-01

It is shown how the radiative transfer equation reduces to the diffusion equation. To keep the mathematics as simple as possible, the approximation is applied to a cylindrical cloud of radius R and height h. The diffusion equation separates in cylindrical coordinates and, in a sample calculation, the solution is evaluated for a range of cloud radii with cloud heights of 0.5 km and 1.0 km. The simplicity of the method and the speed with which solutions are obtained give it potential as a tool with which to study the effects of finite-sized clouds on the albedo of the earth-atmosphere system.

Efficient, graph-based white matter connectivity from orientation distribution functions via multi-directional graph propagation

NASA Astrophysics Data System (ADS)

Boucharin, Alexis; Oguz, Ipek; Vachet, Clement; Shi, Yundi; Sanchez, Mar; Styner, Martin

2011-03-01

The use of regional connectivity measurements derived from diffusion imaging datasets has become of considerable interest in the neuroimaging community in order to better understand cortical and subcortical white matter connectivity. Current connectivity assessment methods are based on streamline fiber tractography, usually applied in a Monte-Carlo fashion. In this work we present a novel, graph-based method that performs a fully deterministic, efficient and stable connectivity computation. The method handles crossing fibers and deals well with multiple seed regions. The computation is based on a multi-directional graph propagation method applied to sampled orientation distribution function (ODF), which can be computed directly from the original diffusion imaging data. We show early results of our method on synthetic and real datasets. The results illustrate the potential of our method towards subjectspecific connectivity measurements that are performed in an efficient, stable and reproducible manner. Such individual connectivity measurements would be well suited for application in population studies of neuropathology, such as Autism, Huntington's Disease, Multiple Sclerosis or leukodystrophies. The proposed method is generic and could easily be applied to non-diffusion data as long as local directional data can be derived.

Performances and application of a passive sampling method for the simultaneous determination of nitrogen dioxide and sulfur dioxide in ambient air.

PubMed

Plaisance, H; Sagnier, I; Saison, J Y; Galloo, J C; Guillermo, R

2002-11-01

The performances and applicability of a diffusion tube sampler for the simultaneous measurements of NO2 and SO2 in ambient air were evaluated. SO2 and NO2 are collected by the passive sampler using triethanolamine as trapping agent and are determined as sulphate and nitrite with ion chromatography. The detection limit (2.3 microg m(-3) of NO2 and 4.2 microg m(-3) of SO2 for two weeks sampling) is adequate for the determination of concentrations in urban and industrial areas. Precision of the method as RSD is in mean 5% for NO2 and 12% for SO2 at the concentration levels in urban areas. Calibration of the method was performed in the field conditions by comparison between the responses of sampler and the concentrations measured by the continuous monitors. High degree of linearity (correlation coefficients > 0.8) is found between the passive sampler tube and the continuous monitor data for both NO2 and SO2. To reduce the wind velocity influence on passive sampling of diffusion tubes, a protective shelter was tested in this study. The overall uncertainty of one measure for the optimised method is estimated at 5 microg m(-3) for NO2 and 6 microg m(-3) for SO2. Suitability of this passive sampling method for air pollution monitoring in urban areas was demonstrated by the results shown in this paper on a campaign carried out in the French agglomeration.

Reference-free spectroscopic determination of fat and protein in milk in the visible and near infrared region below 1000nm using spatially resolved diffuse reflectance fiber probe.

PubMed

Bogomolov, Andrey; Belikova, Valeria; Galyanin, Vladislav; Melenteva, Anastasiia; Meyer, Hans

2017-05-15

New technique of diffuse reflectance spectroscopic analysis of milk fat and total protein content in the visible (Vis) and adjacent near infrared (NIR) region (400-995nm) has been developed and tested. Sample analysis was performed through a probe having eight 200-µm fiber channels forming a linear array. One of the end fibers was used for the illumination and other seven - for the spectroscopic detection of diffusely reflected light. One of the detection channels was used as a reference to normalize the spectra and to convert them into absorbance-equivalent units. The method has been tested experimentally using a designed sample set prepared from industrial raw milk standards with widely varying fat and protein content. To increase the modelling robustness all milk samples were measured in three different homogenization degrees. Comprehensive data analysis has shown the advantage of combining both spectral and spatial resolution in the same measurement and revealed the most relevant channels and wavelength regions. The modelling accuracy was further improved using joint variable selection and preprocessing optimization method based on the genetic algorithm. The root mean-square errors of different validation methods were below 0.10% for fat and below 0.08% for total protein content. Based on the present experimental data, it was computationally shown that the full-spectrum analysis in this method can be replaced by a sensor measurement at several specific wavelengths, for instance, using light-emitting diodes (LEDs) for illumination. Two optimal sensor configurations have been suggested: with nine LEDs for the analysis of fat and seven - for protein content. Both simulated sensors exhibit nearly the same component determination accuracy as corresponding full-spectrum analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

Evaluation of bacterial motility from non-Gaussianity of finite-sample trajectories using the large deviation principle

NASA Astrophysics Data System (ADS)

Hanasaki, Itsuo; Kawano, Satoyuki

2013-11-01

Motility of bacteria is usually recognized in the trajectory data and compared with Brownian motion, but the diffusion coefficient is insufficient to evaluate it. In this paper, we propose a method based on the large deviation principle. We show that it can be used to evaluate the non-Gaussian characteristics of model Escherichia coli motions and to distinguish combinations of the mean running duration and running speed that lead to the same diffusion coefficient. Our proposed method does not require chemical stimuli to induce the chemotaxis in a specific direction, and it is applicable to various types of self-propelling motions for which no a priori information of, for example, threshold parameters for run and tumble or head/tail direction is available. We also address the issue of the finite-sample effect on the large deviation quantities, but we propose to make use of it to characterize the nature of motility.

Wide-field fluorescence diffuse optical tomography with epi-illumination of sinusoidal pattern

NASA Astrophysics Data System (ADS)

Li, Tongxin; Gao, Feng; Chen, Weiting; Qi, Caixia; Yan, Panpan; Zhao, Huijuan

2017-02-01

We present a wide-field fluorescence tomography with epi-illumination of sinusoidal pattern. In this scheme, a DMD projector is employed as a spatial light modulator to generate independently wide-field sinusoidal illumination patterns at varying spatial frequencies on a sample, and then the emitted photons at the sample surface were captured with a EM-CCD camera. This method results in a significantly reduced number of the optical field measurements as compared to the point-source-scanning ones and thereby achieves a fast data acquisition that is desired for a dynamic imaging application. Fluorescence yield images are reconstructed using the normalized-Born formulated inversion of the diffusion model. Experimental reconstructions are presented on a phantom embedding the fluorescent targets and compared for a combination of the multiply frequencies. The results validate the ability of the method to determine the target relative depth and quantification with an increasing accuracy.

Characterizing Thermal Properties of Melting Te Semiconductor: Thermal Diffusivity Measurements and Simulation

NASA Technical Reports Server (NTRS)

Zhu, Shen; Li, C.; Su, Ching-Hua; Lin, B.; Ben, H.; Scripa, R. N.; Lehoczky, S. L.; Curreri, Peter A. (Technical Monitor)

2002-01-01

Tellurium is an element for many II-VI and I-III-VI(sub 2) compounds that are useful materials for fabricating many devices. In the melt growth techniques, the thermal properties of the molten phase are important parameter for controlling growth process to improve semiconducting crystal quality. In this study, thermal diffusivity of molten tellurium has been measured by a laser flash method in the temperature range from 500 C to 900 C. A pulsed laser with 1064 nm wavelength is focused on one side of the measured sample. The thermal diffusivity can be estimated from the temperature transient at the other side of the sample. A numerical simulation based on the thermal transport process has been also performed. By numerically fitting the experimental results, both the thermal conductivity and heat capacity can be derived. A relaxation phenomenon, which shows a slow drift of the measured thermal conductivity toward the equilibrium value after cooling of the sample, was observed for the first time. The error analysis and the comparison of the results to published data measured by other techniques will be discussed.

Characterizing Thermal Properties of Melting Te Semiconductor: Thermal Diffusivity Measurements and Simulation

NASA Technical Reports Server (NTRS)

Zhu, Shen; Su, Ching-Hua; Li, C.; Lin, B.; Ben, H.; Scripa, R. N.; Lehoczky, S. L.; Curreri, Peter A. (Technical Monitor)

2002-01-01

Tellurium is an element for many II-VI and I-III-VI(sub 2) compounds that are useful materials for fabricating many devises. In the melt growth techniques, the thermal properties of the molten phase are important parameter for controlling growth process to improve semiconducting crystal quality. In this study, thermal diffusivity of molten tellurium has been measured by a laser flash method in the temperature range from 500 C to 900 C. A pulsed laser with 1064 nm wavelength is focused on one side of the measured sample. The thermal diffusivity can be estimated from the temperature transient at the other side of the sample. A numerical simulation based on the thermal transport process has been also performed. By numerically fitting the experimental results, both the thermal conductivity and heat capacity can be derived. A relaxation phenomenon, which shows a slow drift of the measured thermal conductivity toward the equilibrium value after cooling of the sample, was observed for the first time. The error analysis and the comparison of the results to published data measured by other techniques will be discussed in the presentation.

Cubic zirconia as a species permeable coating for zinc diffusion in gallium arsenide

NASA Astrophysics Data System (ADS)

Bisberg, J. E.; Dabkowski, F. P.; Chin, A. K.

1988-10-01

Diffusion of zinc into GaAs through an yttria-stabilized cubic zirconia (YSZ) passivation layer has been demonstrated with an open-tube diffusion method. Pure zinc or GaAs/Zn2As3 sources produced high quality planar p-n junctions. The YSZ layer protects the GaAs surface from excessive loss of arsenic, yet is permeable to zinc, allowing its diffusion into the semiconductor. The YSZ films, deposited by electron beam evaporation, were typically 2000 Å thick. Zinc diffusion coefficients (DT) at 650 °C in the YSZ passivated GaAs ranged from 3.6×10-10 cm2/min for the GaAs/Zn2As3 source to 1.9×10-9 cm2/min for the pure zinc source. Doping concentrations for both YSZ passivated and uncapped samples were approximately 5×1019 cm-3.

Effect of different analyte diffusion/adsorption protocols on SERS signals

NASA Astrophysics Data System (ADS)

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

2018-07-01

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

Mild traumatic brain injury: is diffusion imaging ready for primetime in forensic medicine?

PubMed

Grossman, Elan J; Inglese, Matilde; Bammer, Roland

2010-12-01

Mild traumatic brain injury (MTBI) is difficult to accurately assess with conventional imaging because such approaches usually fail to detect any evidence of brain damage. Recent studies of MTBI patients using diffusion-weighted imaging and diffusion tensor imaging suggest that these techniques have the potential to help grade tissue damage severity, track its development, and provide prognostic markers for clinical outcome. Although these results are promising and indicate that the forensic diagnosis of MTBI might eventually benefit from the use of diffusion-weighted imaging and diffusion tensor imaging, healthy skepticism and caution should be exercised with regard to interpreting their meaning because there is no consensus about which methods of data analysis to use and very few investigations have been conducted, of which most have been small in sample size and examined patients at only one time point after injury.

Condenser-type diffusion denuders for the collection of sulfur dioxide in a cleanroom.

PubMed

Chang, In-Hyoung; Lee, Dong Soo; Ock, Soon-Ho

2003-02-01

High-efficiency condenser-type diffusion denuders of cylindrical and planar geometries are described. The film condensation of water vapor onto a cooled denuder surface can be used as a method for collecting water-soluble gases. By using SO(2) as the test gas, the planar design offers quantitative collection efficiency at air sampling rates up to 5 L min(-1). Coupled to ion chromatography, the limit of detection (LOD) for SO(2) is 0.014 ppbv with a 30-min successive analysis sequence. The method has been successfully applied to the analysis of temperature- and humidity-controlled cleanroom air.

Glucose diffusion in colorectal mucosa—a comparative study between normal and cancer tissues

NASA Astrophysics Data System (ADS)

Carvalho, Sónia; Gueiral, Nuno; Nogueira, Elisabete; Henrique, Rui; Oliveira, Luís; Tuchin, Valery V.

2017-09-01

Colorectal carcinoma is a major health concern worldwide and its high incidence and mortality require accurate screening methods. Following endoscopic examination, polyps must be removed for histopathological characterization. Aiming to contribute to the improvement of current endoscopy methods of colorectal carcinoma screening or even for future development of laser treatment procedures, we studied the diffusion properties of glucose and water in colorectal healthy and pathological mucosa. These parameters characterize the tissue dehydration and the refractive index matching mechanisms of optical clearing (OC). We used ex vivo tissues to measure the collimated transmittance spectra and thickness during treatments with OC solutions containing glucose in different concentrations. These time dependencies allowed for estimating the diffusion time and diffusion coefficient values of glucose and water in both types of tissues. The measured diffusion times for glucose in healthy and pathological mucosa samples were 299.2±4.7 s and 320.6±10.6 s for 40% and 35% glucose concentrations, respectively. Such a difference indicates a slower glucose diffusion in cancer tissues, which originate from their ability to trap far more glucose than healthy tissues. We have also found a higher free water content in cancerous tissue that is estimated as 64.4% instead of 59.4% for healthy mucosa.

Resolving complex fibre architecture by means of sparse spherical deconvolution in the presence of isotropic diffusion

NASA Astrophysics Data System (ADS)

Zhou, Q.; Michailovich, O.; Rathi, Y.

2014-03-01

High angular resolution diffusion imaging (HARDI) improves upon more traditional diffusion tensor imaging (DTI) in its ability to resolve the orientations of crossing and branching neural fibre tracts. The HARDI signals are measured over a spherical shell in q-space, and are usually used as an input to q-ball imaging (QBI) which allows estimation of the diffusion orientation distribution functions (ODFs) associated with a given region-of interest. Unfortunately, the partial nature of single-shell sampling imposes limits on the estimation accuracy. As a result, the recovered ODFs may not possess sufficient resolution to reveal the orientations of fibre tracts which cross each other at acute angles. A possible solution to the problem of limited resolution of QBI is provided by means of spherical deconvolution, a particular instance of which is sparse deconvolution. However, while capable of yielding high-resolution reconstructions over spacial locations corresponding to white matter, such methods tend to become unstable when applied to anatomical regions with a substantial content of isotropic diffusion. To resolve this problem, a new deconvolution approach is proposed in this paper. Apart from being uniformly stable across the whole brain, the proposed method allows one to quantify the isotropic component of cerebral diffusion, which is known to be a useful diagnostic measure by itself.

Confocal fluorometer for diffusion tracking in 3D engineered tissue constructs

NASA Astrophysics Data System (ADS)

Daly, D.; Zilioli, A.; Tan, N.; Buttenschoen, K.; Chikkanna, B.; Reynolds, J.; Marsden, B.; Hughes, C.

2016-03-01

We present results of the development of a non-contacting instrument, called fScan, based on scanning confocal fluorometry for assessing the diffusion of materials through a tissue matrix. There are many areas in healthcare diagnostics and screening where it is now widely accepted that the need for new quantitative monitoring technologies is a major pinch point in patient diagnostics and in vitro testing. With the increasing need to interpret 3D responses this commonly involves the need to track the diffusion of compounds, pharma-active species and cells through a 3D matrix of tissue. Methods are available but to support the advances that are currently only promised, this monitoring needs to be real-time, non-invasive, and economical. At the moment commercial meters tend to be invasive and usually require a sample of the medium to be removed and processed prior to testing. This methodology clearly has a number of significant disadvantages. fScan combines a fiber based optical arrangement with a compact, free space optical front end that has been integrated so that the sample's diffusion can be measured without interference. This architecture is particularly important due to the "wet" nature of the samples. fScan is designed to measure constructs located within standard well plates and a 2-D motion stage locates the required sample with respect to the measurement system. Results are presented that show how the meter has been used to evaluate movements of samples through collagen constructs in situ without disturbing their kinetic characteristics. These kinetics were little understood prior to these measurements.

Effect of barium on diffusion of sodium in borosilicate glass.

PubMed

Mishra, R K; Kumar, Sumit; Tomar, B S; Tyagi, A K; Kaushik, C P; Raj, Kanwar; Manchanda, V K

2008-08-15

Diffusion coefficients of sodium in barium borosilicate glasses having varying concentration of barium were determined by heterogeneous isotopic exchange method using (24)Na as the radiotracer for sodium. The measurements were carried out at various temperatures (748-798 K) to obtain the activation energy (E(a)) of diffusion. The E(a) values were found to increase with increasing barium content of the glass, indicating that introduction of barium in the borosilicate glass hinders the diffusion of alkali metal ions from the glass matrix. The results have been explained in terms of the electrostatic and structural factors, with the increasing barium concentration resulting in population of low energy sites by Na(+) ions and, plausibly, formation of more tight glass network. The leach rate measurements on the glass samples show similar trend.

Gas Uptake of 3-D Printed Acrylonitrile Butadiene Styrene (ABS) Using a Vacuum Apparatus Designed for Absorption and Desorption Studies

PubMed Central

Sefa, Makfir; Ahmed, Zeeshan; Fedchak, James A.; Scherschligt, Julia; Klimov, Nikolai

2017-01-01

We describe a vacuum apparatus for determining the outgassing rate into vacuum, the diffusion coefficient, and the amount of gas absorbed for various materials. The diffusion coefficient is determined from a model applied to time-dependent desorption data taken using a throughput method. We used this method to determine the diffusion coefficient, D, for H2O in 3-D printed acrylonitrile butadiene styrene (ABS). We found DH2O = 8.3 × 10−8 cm2/s ± 1.3 × 10−8 cm2/s (k = 1; 67% confidence interval) at 23.2 °C. This result was compared to the diffusion coefficient determined another by a gravimetric method, in which the sample weight was monitored as it absorbed gas from the atmosphere. The two methods agreed to within 3%, which is well within the uncertainty of the measurement. We also found that at least 80% of the atmospheric gas (air) absorbed by the ABS is water. The total amount of all atmospheric gas absorbed by ABS was about 0.35% by weight when exposed to ambient air in the laboratory, which was at a pressure of 101 kPa with a relative humidity of 57% at 22.2 °C. PMID:28736481

A Multilevel, Hierarchical Sampling Technique for Spatially Correlated Random Fields

DOE PAGES

Osborn, Sarah; Vassilevski, Panayot S.; Villa, Umberto

2017-10-26

In this paper, we propose an alternative method to generate samples of a spatially correlated random field with applications to large-scale problems for forward propagation of uncertainty. A classical approach for generating these samples is the Karhunen--Loève (KL) decomposition. However, the KL expansion requires solving a dense eigenvalue problem and is therefore computationally infeasible for large-scale problems. Sampling methods based on stochastic partial differential equations provide a highly scalable way to sample Gaussian fields, but the resulting parametrization is mesh dependent. We propose a multilevel decomposition of the stochastic field to allow for scalable, hierarchical sampling based on solving amore » mixed finite element formulation of a stochastic reaction-diffusion equation with a random, white noise source function. Lastly, numerical experiments are presented to demonstrate the scalability of the sampling method as well as numerical results of multilevel Monte Carlo simulations for a subsurface porous media flow application using the proposed sampling method.« less

A Multilevel, Hierarchical Sampling Technique for Spatially Correlated Random Fields

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

Osborn, Sarah; Vassilevski, Panayot S.; Villa, Umberto

In this paper, we propose an alternative method to generate samples of a spatially correlated random field with applications to large-scale problems for forward propagation of uncertainty. A classical approach for generating these samples is the Karhunen--Loève (KL) decomposition. However, the KL expansion requires solving a dense eigenvalue problem and is therefore computationally infeasible for large-scale problems. Sampling methods based on stochastic partial differential equations provide a highly scalable way to sample Gaussian fields, but the resulting parametrization is mesh dependent. We propose a multilevel decomposition of the stochastic field to allow for scalable, hierarchical sampling based on solving amore » mixed finite element formulation of a stochastic reaction-diffusion equation with a random, white noise source function. Lastly, numerical experiments are presented to demonstrate the scalability of the sampling method as well as numerical results of multilevel Monte Carlo simulations for a subsurface porous media flow application using the proposed sampling method.« less

The Impact of Biofilms on the Process of Back Diffusion From a Contaminated Rock Matrix

NASA Astrophysics Data System (ADS)

Yungwirth, G. A.; Novakowski, K. S.; Ross, N.

2005-12-01

Groundwater remediation in fractured rock settings is complicated by the diffusion of contaminants into the rock matrix and the subsequent back diffusion into the fractures. The process of back diffusion, in particular, leads to extended periods of low-level contamination in the fracture network that persists long after the source area is hydraulically or otherwise removed. In such a case, we hypothesize that back diffusion could be limited by growing a biofilm which coats the rock fracture surface and potentially invades the rock micropores. This would effectively sequester the contamination potentially in perpetuity. To explore the viability of this concept, diffusion experiments were conducted in which the effect of biofilm growth on diffusion through thin (0.8 to 1.2 cm) slices of dolostone core obtained from the Lockport Formation, Southern Ontario, was investigated. The experiments were conducted using a double-cell method, in which the core slices were encapsulated inside Teflon coated hydraulic hose, fitted with ultra high molecular weight polyethylene endcaps having stainless steel sample ports. Diffusion was established across the core slice by spiking one reservoir with a conservative tracer and monitoring the tracer arrival in the reservoir located on the other side of the coupon. The experiments were conducted both in the presence and absence of a biofilm. Biofilm was grown on the rock coupons in a separate bath before the coupons were transferred to the apparatus for the diffusion experiments. Microbial populations indigenous to the groundwater used in the bath were stimulated to form the biofilm with the addition of a beef extract and peptone nutrient broth in 1g/L concentration. The extent of biofilm growth was monitored using a modified Dubois et al (1956) colorimetric method for sugar determination. Results were simulated using an analytical model that was developed for the geometry of the diffusion experiments. Governing equations for the model are based on a cylindrical coordinate system where one equation was developed for the rock and another for the biofilm. The solution was found using the Laplace Transform method. Preliminary results show substantial biofilm growth, confirming that the method of biofilm stimulation is viable. Preliminary analysis of data from the diffusion experiments shows the impact of biofilm presence on back diffusion to be profound.

Detecting Compartmental non-Gaussian Diffusion with Symmetrized Double-PFG MRI

PubMed Central

Paulsen, Jeffrey L.; Özarslan, Evren; Komlosh, Michal E.; Basser, Peter J.; Song, Yi-Qiao

2015-01-01

Diffusion in tissue and porous media is known to be non-Gaussian and has been used for clinical indications of stroke and other tissue pathologies. However, when conventional NMR techniques are applied to biological tissues and other heterogeneous materials, the presence of multiple compartments (pores) with different Gaussian diffusivities will also contribute to the measurement of non-Gaussian behavior. Here we present Symmetrized Double PFG (sd-PFG), which can separate these two contributions to non-Gaussian signal decay as having distinct angular modulation frequencies. In contrast to prior angular d-PFG methods, sd-PFG can unambiguously extract kurtosis as an oscillation from samples with isotropic or uniformly oriented anisotropic pores, and can generally extract a combination of compartmental anisotropy and kurtosis. The method further fixes its sensitivity with respect to the time-dependence of the apparent diffusion coefficient. We experimentally demonstrate the measurement of the fourth moment (kurtosis) of diffusion and find it consistent with theoretical predictions. By enabling the unambiguous identification of contributions of compartmental kurtosis to the signal, sd-PFG has the potential to help identify the underlying micro-structural changes corresponding to current kurtosis based diagnostics and act as a novel source of contrast to better resolve tissue micro-structure. PMID:26434812

Constraining Thermal Histories by Monte Carlo Simulation of Mg-Fe Isotopic Profiles in Olivine

NASA Astrophysics Data System (ADS)

Sio, C. K. I.; Dauphas, N.

2016-12-01

In thermochronology, random time-temperature (t-T) paths are generated and used as inputs to model fission track data. This random search method is used to identify a range of acceptable thermal histories that can describe the data. We have extended this modeling approach to magmatic systems. This approach utilizes both the chemical and stable isotope profiles measured in crystals as model constraints. Specifically, the isotopic profiles are used to determine the relative contribution of crystal growth vs. diffusion in generating chemical profiles, and to detect changes in melt composition. With this information, tighter constraints can be placed on the thermal evolution of magmatic bodies. We use an olivine phenocryst from the Kilauea Iki lava lake, HI, to demonstrate proof of concept. We treat this sample as one with little geologic context, then compare our modeling results to the known thermal history experienced by that sample. To complete forward modeling, we use MELTS to estimate the boundary condition, initial and quench temperatures. We also assume a simple relationship between crystal growth and cooling rate. Another important parameter is the isotopic effect for diffusion (i.e., the relative diffusivity of the light vs. heavy isotope of an element). The isotopic effects for Mg and Fe diffusion in olivine have been estimated based on natural samples; experiments to better constrain these parameters are underway. We find that 40% of the random t-T paths can be used to fit the Mg-Fe chemical profiles. However, only a few can be used to simultaneously fit the Mg-Fe isotopic profiles. These few t-T paths are close to the independently determined t-T history of the sample. This modeling approach can be further extended other igneous and metamorphic systems where data exist for diffusion rates, crystal growth rates, and isotopic effects for diffusion.

Sediment diffusion method improves wastewater nitrogen removal in the receiving lake sediments.

PubMed

Aalto, Sanni L; Saarenheimo, Jatta; Ropponen, Janne; Juntunen, Janne; Rissanen, Antti J; Tiirola, Marja

2018-07-01

Sediment microbes have a great potential to transform reactive N to harmless N 2 , thus decreasing wastewater nitrogen load into aquatic ecosystems. Here, we examined if spatial allocation of the wastewater discharge by a specially constructed sediment diffuser pipe system enhanced the microbial nitrate reduction processes. Full-scale experiments were set on two Finnish lake sites, Keuruu and Petäjävesi, and effects on the nitrate removal processes were studied using the stable isotope pairing technique. All nitrate reduction rates followed nitrate concentrations, being highest at the wastewater-influenced sampling points. Complete denitrification with N 2 as an end-product was the main nitrate reduction process, indicating that the high nitrate and organic matter concentrations of wastewater did not promote nitrous oxide (N 2 O) production (truncated denitrification) or ammonification (dissimilatory nitrate reduction to ammonium; DNRA). Using 3D simulation, we demonstrated that the sediment diffusion method enhanced the contact time and amount of wastewater near the sediment surface especially in spring and in autumn, altering organic matter concentration and oxygen levels, and increasing the denitrification capacity of the sediment. We estimated that natural denitrification potentially removed 3-10% of discharged wastewater nitrate in the 33 ha study area of Keuruu, and the sediment diffusion method increased this areal denitrification capacity on average 45%. Overall, our results indicate that sediment diffusion method can supplement wastewater treatment plant (WWTP) nitrate removal without enhancing alternative harmful processes. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

Evaluation of different methods to detect methicillin resistance in Staphylococcus aureus (MRSA).

PubMed

Alipour, Farzad; Ahmadi, Malahat; Javadi, Shahram

2014-01-01

The studies suggest that dogs living with human are potential risk of becoming MRSA carrier and increased risk of infections caused by MRSA. Phenotypic methods to detect methicillin resistance in Staphylococcus aureus (MRSA) are inadequate. The objective of the present study was to determine methicillin resistance in S. aureus by phenotypic susceptibility test (oxacillin disk diffusion, cefoxitin disk diffusion, oxacillin screen agar) and molecular methods (PCR as a gold standard) and the latex agglutination test for the detection of PBP2a and to evaluate the results of these tests for its sensitivity and specificity. A total of 100 swab samples were taken from muzzle site, in more contact with human, of dogs and MRSA were isolated. Oxacillin (1 μg), cefoxitin (30 μg) disk diffusion and oxacillin screen agar method were used. The isolates were also subjected to latex agglutination test for detection of PBP2a and PCR to detect mecA gene. By PCR 37% of isolates show the presence of mecA. Latex agglutination was found to be the most sensitive (97.29%) and cefoxitin disk diffusion to be the most specific (96.82%) tests for detection of MRSA. Our finding showed that combining oxacillin screen agar or cefoxitin disk diffusion with latex agglutination improves sensitivity and specificity to detect methicillin resistance S. aureus (MRSA) isolates. Copyright © 2014 King Saud Bin Abdulaziz University for Health Sciences. Published by Elsevier Ltd. All rights reserved.

Study of diffusion bond development in 6061 aluminum and its relationship to future high density fuels fabrication.

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

Prokofiev, I.; Wiencek, T.; McGann, D.

1997-10-07

Powder metallurgy dispersions of uranium alloys and silicides in an aluminum matrix have been developed by the RERTR program as a new generation of proliferation-resistant fuels. Testing is done with miniplate-type fuel plates to simulate standard fuel with cladding and matrix in plate-type configurations. In order to seal the dispersion fuel plates, a diffusion bond must exist between the aluminum coverplates surrounding the fuel meat. Four different variations in the standard method for roll-bonding 6061 aluminum were studied. They included mechanical cleaning, addition of a getter material, modifications to the standard chemical etching, and welding methods. Aluminum test pieces weremore » subjected to a bend test after each rolling pass. Results, based on 400 samples, indicate that at least a 70% reduction in thickness is required to produce a diffusion bond using the standard rollbonding method versus a 60% reduction using the Type II method in which the assembly was welded 100% and contained open 9mm holes at frame corners.« less

Impact of Moisture Content and Grain Size on Hydrocarbon Diffusion in Porous Media

NASA Astrophysics Data System (ADS)

McLain, A. A.; Ho, C. K.

2001-12-01

Diffusion of hydrocarbon vapors in porous media can play an important role in our ability to characterize subsurface contaminants such as trichloroethylene (TCE). For example, traditional monitoring methods often rely on direct sampling of contaminated soils or vapor. These samples may be influenced by the diffusion of vapors away from the contaminant source term, such as non-aqueous-phase TCE liquid. In addition, diffusion of hydrocarbon vapors can also impact the migration and dispersion of the contaminant in the subsurface. Therefore, understanding the diffusion rates and vapor transport processes of hydrocarbons in variably-saturated, heterogeneous porous media will assist in the characterization and detection of these subsurface contaminants. The purpose of this study was to investigate the impact of soil heterogeneity and water-moisture content on the diffusion processes for TCE. A one-dimensional column experiment was used to monitor the rates of vapor diffusion through sand. Experiments were performed with different average water-moisture contents and different grain sizes. On one end of the column, a reservoir cap is used to encase the TCE, providing a constant vapor boundary condition while sealing the end. The other end of the column contains a novel microchemical sensor. The sensor employs a polymer-absorption resistor (chemiresistor) that reversibly swells and increases in resistance when exposed to hydrocarbons. Once calibrated, the chemiresistors can be used to passively monitor vapor concentrations. This unique method allows the detection of in-situ vapor concentrations without disturbing the local environment. Results are presented in the form of vapor-concentration breakthrough curves as detected by the sensor. The shape of the breakthrough curve is dependent on several key parameters, including the length of the column and parameters (e.g., water-moisture content and grain-size) that affect the effective diffusion coefficient of TCE in air. Comparisons are made between theoretical and observed breakthrough curves to evaluate the diffusion of TCE and other relevant physical processes (e.g., air-water partitioning of TCE). The relative impact of water-moisture content and grain size on the diffusion of TCE vapor in porous media is also addressed. The authors thank Bob Hughes, who developed the chemiresistor sensors, and Chad Davis, who assisted with the calibrations. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000.

Direct estimation of diffuse gaseous emissions from coal fires: current methods and future directions

USGS Publications Warehouse

Engle, Mark A.; Olea, Ricardo A.; O'Keefe, Jennifer M. K.; Hower, James C.; Geboy, Nicholas J.

2013-01-01

Coal fires occur in nature spontaneously, contribute to increases in greenhouse gases, and emit atmospheric toxicants. Increasing interest in quantifying coal fire emissions has resulted in the adaptation and development of specialized approaches and adoption of numerical modeling techniques. Overview of these methods for direct estimation of diffuse gas emissions from coal fires is presented in this paper. Here we take advantage of stochastic Gaussian simulation to interpolate CO2 fluxes measured using a dynamic closed chamber at the Ruth Mullins coal fire in Perry County, Kentucky. This approach allows for preparing a map of diffuse gas emissions, one of the two primary ways that gases emanate from coal fires, and establishing the reliability of the study both locally and for the entire fire. Future research directions include continuous and automated sampling to improve quantification of gaseous coal fire emissions.

High resolution human diffusion tensor imaging using 2-D navigated multi-shot SENSE EPI at 7 Tesla

PubMed Central

Jeong, Ha-Kyu; Gore, John C.; Anderson, Adam W.

2012-01-01

The combination of parallel imaging with partial Fourier acquisition has greatly improved the performance of diffusion-weighted single-shot EPI and is the preferred method for acquisitions at low to medium magnetic field strength such as 1.5 or 3 Tesla. Increased off-resonance effects and reduced transverse relaxation times at 7 Tesla, however, generate more significant artifacts than at lower magnetic field strength and limit data acquisition. Additional acceleration of k-space traversal using a multi-shot approach, which acquires a subset of k-space data after each excitation, reduces these artifacts relative to conventional single-shot acquisitions. However, corrections for motion-induced phase errors are not straightforward in accelerated, diffusion-weighted multi-shot EPI because of phase aliasing. In this study, we introduce a simple acquisition and corresponding reconstruction method for diffusion-weighted multi-shot EPI with parallel imaging suitable for use at high field. The reconstruction uses a simple modification of the standard SENSE algorithm to account for shot-to-shot phase errors; the method is called Image Reconstruction using Image-space Sampling functions (IRIS). Using this approach, reconstruction from highly aliased in vivo image data using 2-D navigator phase information is demonstrated for human diffusion-weighted imaging studies at 7 Tesla. The final reconstructed images show submillimeter in-plane resolution with no ghosts and much reduced blurring and off-resonance artifacts. PMID:22592941

COMPARISON OF 24H AVERAGE VOC MONITORING RESULTS FOR RESIDENTIAL INDOOR AND OUTDOOR AIR USING CARBOPACK X-FILLED DIFFUSIVE SAMPLERS AND ACTIVE SAMPLING - A PILOT STUDY

EPA Science Inventory

Analytical results obtained by thermal desorption GC/MS for 24h diffusive sampling of 11 volatile organic compounds (VOCs) are compared with results of time-averaged active sampling at a known constant flow rate. Air samples were collected with co-located duplicate diffusive samp...

Two-dimensional numerical simulation of boron diffusion for pyramidally textured silicon

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

Ma, Fa-Jun, E-mail: Fajun.Ma@nus.edu.sg; Duttagupta, Shubham; Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117576

2014-11-14

Multidimensional numerical simulation of boron diffusion is of great relevance for the improvement of industrial n-type crystalline silicon wafer solar cells. However, surface passivation of boron diffused area is typically studied in one dimension on planar lifetime samples. This approach neglects the effects of the solar cell pyramidal texture on the boron doping process and resulting doping profile. In this work, we present a theoretical study using a two-dimensional surface morphology for pyramidally textured samples. The boron diffusivity and segregation coefficient between oxide and silicon in simulation are determined by reproducing measured one-dimensional boron depth profiles prepared using different boronmore » diffusion recipes on planar samples. The established parameters are subsequently used to simulate the boron diffusion process on textured samples. The simulated junction depth is found to agree quantitatively well with electron beam induced current measurements. Finally, chemical passivation on planar and textured samples is compared in device simulation. Particularly, a two-dimensional approach is adopted for textured samples to evaluate chemical passivation. The intrinsic emitter saturation current density, which is only related to Auger and radiative recombination, is also simulated for both planar and textured samples. The differences between planar and textured samples are discussed.« less

A simultaneous characterization and uncertainty analysis of thermal conductivity and diffusivity of bio-insulate material "Palm date Wood" obtained from a periodic method

NASA Astrophysics Data System (ADS)

Tlijani, M.; Ben Younes, R.; Durastanti, J. F.; Boudenne, A.

2010-11-01

A periodic method is used to determine simultaneously both thermal conductivity and diffusivity of various insulate materials at room temperature. The sample is placed between two metallic plates and temperature modulation is applied on the front side of one of the metallic plates. The temperature at the front and rear sides of both plates is measured and the experimental transfer function is calculated. The theoretical thermal heat transfer function is calculated by the quadripole method. Thermal conductivity and diffusivity are simultaneously identified from both real and imaginary parts of the experimental transfer function. The thermophysical parameters of several wood scale samples obtained from palm wood trees and common trees with unknown thermal properties (E) with different thicknesses were studied. The value identified for the thermal conductivity 0.03 Wm-1 K-1 compared with different insulate solid material such as glass, glass-wool and PVC is much better and close to the air conductivity, It allowed us to consider the wood scale extracted from palm wood trees, bio and renewable material as good heat insulator aiming in the future as a use for lightness applications, insulating or as a reinforcement in a given matrix. These potentialities still unknown are stengthened by the enormous quantity of such kind of wood gathered annually from palm trees and considered as wastes.

Validation of ammonia diffusive and active samplers in a controlled atmosphere test facility using traceable Primary Standard Gas Mixtures

NASA Astrophysics Data System (ADS)

Martin, Nicholas A.; Ferracci, Valerio; Cassidy, Nathan; Hook, Josh; Battersby, Ross M.; Tang, Yuk S.; Stevens, Amy C. M.; Jones, Matthew R.; Braban, Christine F.; Gates, Linda; Hangartner, Markus; Stoll, Jean-Marc; Sacco, Paolo; Pagani, Diego; Hoffnagle, John A.

2017-04-01

Intensive animal farming, the increased use of fertilizers, and certain industrial processes are believed to be responsible for the observed increases in the amount fraction of ammonia (NH3) found in Europe. NH3 contributes to eutrophication and acidification of land and freshwater, potentially leading to a loss of biodiversity and undesirable changes to the ecosystem. It also contributes to the formation of secondary particulate matter (PM) formation, which is associated with poor air quality and adverse health outcomes. Measurements of ambient ammonia are principally carried out with low-cost diffusive samplers or by active sampling with denuders, with each method delivering time-integrated values over the monitoring period. However, such techniques have not yet been extensively validated. The goal of this work was to provide improvements in the metrological traceability through the determination of NH3 diffusive sampling rates. Five different designs of commercial diffusive samplers (FSM Radiello radial sampler, Gradko diffusion tube, Gradko DIFRAM-400, Passam ammonia sampler, and CEH ALPHA sampler) were employed, together with a pumped denuder sampler (CEH DELTA denuder) for comparison. All devices were simultaneously exposed for either 28 days or 14 days (dependent on sampler type) in a controlled atmosphere test facility (CATFAC) containing traceable amount fractions of humidified ammonia using new stable ammonia Primary Standard Gas Mixtures developed by gravimetry at NPL, under a wide range of conditions that are relevant to ambient monitoring. Online continuous monitoring of the ammonia test atmospheres was carried out by extractive sampling, employing a calibrated cavity ring-down spectrometer, which had been modified to account for cross interference by water vapour. Each manufacturer extracted the captured ammonia on the exposed samplers in the form of ammonium (NH4+) using their own accredited traceable wet chemical techniques, and then reported data based on their historical diffusive sampling rates. There was considerable variation in the results, which demonstrated the need for such validation work to be carried out. We report new measurements of the NH3 sampling rates determined in the CATFAC, which can be applied to improve the reliability of measurements in the field.

Determination of cathinones and other stimulant, psychedelic, and dissociative designer drugs in real hair samples.

PubMed

Salomone, Alberto; Gazzilli, Giulia; Di Corcia, Daniele; Gerace, Enrico; Vincenti, Marco

2016-03-01

The detection of new psychoactive substances (NPS) in hair proved to provide insight into their current diffusion among the population and the social characteristics of these synthetic drugs' users. Therefore, a UHPLC-MS/MS method was developed in order to determine 31 stimulant and psychedelic substituted phenethylamines, and dissociative drugs in hair samples. The method proved to be simple, fast, specific, and sensitive. The absence of matrix interferents, together with excellent repeatability of both retention times and relative abundances of diagnostic transitions, allowed the correct identification of all analytes tested. The method showed optimal linearity in the interval 10-1000 pg/mg, with correlation coefficient values varying between 0.9981 and 0.9997. Quantitation limits ranged from 1.8 pg/mg for 4-methoxyphencyclidine (4-MeO-PCP) up to 35 pg/mg for 6-(2-aminopropyl)benzofuran (6-APB). The method was applied to (i) 23 real samples taken from proven MDMA and ketamine abusers and (ii) 54 real hair samples which had been previously tested negative during regular drug screening in driver's license recovery. Six samples tested positive for at least one target analyte. Methoxetamine (MXE) was found in three cases (range of concentration 7.7-27 pg/mg); mephedrone (4-MMC) was found in two cases (50-59 pg/mg) while one sample tested positive for methylone at 28 pg/mg. Other positive findings included 4-methylethcathinone (4-MEC), alpha-pyrrolidinovalerophenone (α-PVP), 4-fluoroamphetamine (4-FA), 3,4-methylenedioxypyrovalerone (MDPV), and diphenidine. The present study confirms the increasing diffusion of new designer drugs with enhanced stimulant activity among the target population of poly-abuse consumers.

An Investigation of Diffusion Rates in Wadsleyite at 21 GPa and 1500-1900 ° C

NASA Astrophysics Data System (ADS)

Murray, J.; Van Orman, J. A.; Fei, Y.

2002-05-01

Diffusion experiments on high-pressure solid phases provide important constraints on the viscosity of the mantle. We measured diffusion rates in wadsleyite, thought to be one of the most common minerals in the mantle transition zone, using a rim growth method. In each experiment a periclase (MgO) single crystal was surrounded by MgSiO3 glass and compressed in a multianvil device. The MgSiO3 glass rapidly transformed to ilmenite or majorite during heating, as confirmed by a "zero-time" experiment in which the sample was heated to the final run temperature at 100 K/min and then immediately quenched. Each sample was annealed at constant temperature for up to 47 hours to produce a reaction rim of polycrystalline wadsleyite (Mg2SiO4) with ~1 μ m grain size. Growth of the reaction rim was enabled by diffusion of chemical species across the wadsleyite layer, and the bulk diffusion coefficient of the rate-limiting species was calculated from the final rim width using the method described by Fisler and Mackwell (1994 Phys. Chem. Minerals 21:156-165). This method depends on knowledge of the change in chemical potential from the periclase/wadsleyite interface to the wadsleyite/ilmenite(majorite) interface, which we calculated using the internally consistent thermodynamic dataset of Fei et al. (1990 J. Geophys. Res. 95:6915-6928). In some of the experiments we coated the periclase crystal with a thin layer ( ~100 nm) of gold to mark the initial interface and indicate the relative fluxes of chemical species across the growing wadsleyite rim. In every case the gold remained adjacent to the periclase/wadsleyite interface, indicating that the flux of Mg and O across the reaction rim was much greater than the counterflux of Si, and that Mg and O were the more mobile species. For simplicity we assumed that Si was immobile and calculated Mg and O diffusivities assuming that each in turn was the rate-limiting species. The calculated Mg diffusivity is much slower than determined by Chakraborty et al. (1999 Science 283:362-364) and by Farber et al. (2000 J. Geophys. Res. 105:513-529). We therefore conclude that oxygen is the rate limiting species and that diffusion rates increase in the order DSi

Measurement of hyperpolarized gas diffusion at very short time scales

PubMed Central

Carl, Michael; Wilson Miller, G.; Mugler, John P.; Rohrbaugh, Scott; Tobias, William A.; Cates, Gordon D.

2007-01-01

We present a new pulse sequence for measuring very-short-time-scale restricted diffusion of hyperpolarized noble gases. The pulse sequence is based on concatenating a large number of bipolar diffusion-sensitizing gradients to increase the diffusion attenuation of the MR signal while maintaining a fundamentally short diffusion time. However, it differs in several respects from existing methods that use oscillating diffusion gradients for this purpose. First, a wait time is inserted between neighboring pairs of gradient pulses; second, consecutive pulse pairs may be applied along orthogonal axes; and finally, the diffusion-attenuated signal is not simply read out at the end of the gradient train but is periodically sampled during the wait times between neighboring pulse pairs. The first two features minimize systematic differences between the measured (apparent) diffusion coefficient and the actual time-dependent diffusivity, while the third feature optimizes the use of the available MR signal to improve the precision of the diffusivity measurement in the face of noise. The benefits of this technique are demonstrated using theoretical calculations, Monte-Carlo simulations of gas diffusion in simple geometries, and experimental phantom measurements in a glass sphere containing hyperpolarized 3He gas. The advantages over the conventional single-bipolar approach were found to increase with decreasing diffusion time, and thus represent a significant step toward making accurate surface-to-volume measurements in the lung airspaces. PMID:17936048

Methods for quantitative infrared directional-hemispherical and diffuse reflectance measurements using an FTIR and a commercial integrating sphere

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

Blake, Thomas A.; Johnson, Timothy J.; Tonkyn, Russell G.

Infrared integrating sphere measurements of solid samples are important in providing reference data for contact, standoff and remote sensing applications. At the Pacific Northwest National Laboratory (PNNL) we have developed protocols to measure both the directional-hemispherical ( and diffuse (d) reflectances of powders, liquids, and disks of powders and solid materials using a commercially available, matte gold-coated integrating sphere and Fourier transform infrared spectrometer. Detailed descriptions of the sphere alignment and its use for making these reflectance measurements are given. Diffuse reflectance values were found to be dependent on the bidirectional reflection distribution function (BRDF) of the sample and themore » solid angle intercepted by the sphere’s specular exclusion port. To determine how well the sphere and protocols produce quantitative reflectance data, measurements were made of three diffuse and two specular standards prepared by the National institute of Standards and Technology (NIST, USA), LabSphere Infragold and Spectralon standards, hand-loaded sulfur and talc powder samples, and water. The five NIST standards behaved as expected: the three diffuse standards had a high degree of “diffuseness,” d/ = D > 0.9, whereas the two specular standards had D ≤ 0.03. The average absolute differences between the NIST and PNNL measurements of the NIST standards for both directional-hemispherical and diffuse reflectances are on the order of 0.01 reflectance units. Other quantitative differences between the PNNL-measured and calibration (where available) or literature reflectance values for these standards and materials are given and the possible origins of discrepancies are discussed. Random uncertainties and estimates of systematic uncertainties are presented. Corrections necessary to provide better agreement between the PNNL reflectance values as measured for the NIST standards and the NIST reflectance values for these same standards are also discussed.« less

Changes in Effective Thermal Conductivity During the Carbothermic Reduction of Magnetite Using Graphite

NASA Astrophysics Data System (ADS)

Kiamehr, Saeed; Ahmed, Hesham; Viswanathan, Nurni; Seetharaman, Seshadri

2017-06-01

Knowledge of the effective thermal diffusivity changes of systems undergoing reactions where heat transfer plays an important role in the reaction kinetics is essential for process understanding and control. Carbothermic reduction process of magnetite containing composites is a typical example of such systems. The reduction process in this case is highly endothermic and hence, the overall rate of the reaction is greatly influenced by the heat transfer through composite compact. Using Laser-Flash method, the change of effective thermal diffusivity of magnetite-graphite composite pellet was monitored in the dynamic mode over a pre-defined thermal cycle (heating at the rate of 7 K/min to 1423 K (1150 °C), holding the sample for 270 minutes at this temperature and then cooling it down to the room temperature at the same rate as heating). These measurements were supplemented by Thermogravimetric Analysis under comparable experimental conditions as well as quenching tests of the samples in order to combine the impact of various factors such as sample dilatations and changes in apparent density on the progress of the reaction. The present results show that monitoring thermal diffusivity changes during the course of reduction would be a very useful tool in a total understanding of the underlying physicochemical phenomena. At the end, effort is made to estimate the apparent thermal conductivity values based on the measured thermal diffusivity and dilatations.

Inferring Recent Demography from Isolation by Distance of Long Shared Sequence Blocks

PubMed Central

Ringbauer, Harald; Coop, Graham

2017-01-01

Recently it has become feasible to detect long blocks of nearly identical sequence shared between pairs of genomes. These identity-by-descent (IBD) blocks are direct traces of recent coalescence events and, as such, contain ample signal to infer recent demography. Here, we examine sharing of such blocks in two-dimensional populations with local migration. Using a diffusion approximation to trace genetic ancestry, we derive analytical formulas for patterns of isolation by distance of IBD blocks, which can also incorporate recent population density changes. We introduce an inference scheme that uses a composite-likelihood approach to fit these formulas. We then extensively evaluate our theory and inference method on a range of scenarios using simulated data. We first validate the diffusion approximation by showing that the theoretical results closely match the simulated block-sharing patterns. We then demonstrate that our inference scheme can accurately and robustly infer dispersal rate and effective density, as well as bounds on recent dynamics of population density. To demonstrate an application, we use our estimation scheme to explore the fit of a diffusion model to Eastern European samples in the Population Reference Sample data set. We show that ancestry diffusing with a rate of σ≈50−−100 km/gen during the last centuries, combined with accelerating population growth, can explain the observed exponential decay of block sharing with increasing pairwise sample distance. PMID:28108588

A first-principles and experimental study of helium diffusion in periclase MgO

NASA Astrophysics Data System (ADS)

Song, Zhewen; Wu, Henry; Shu, Shipeng; Krawczynski, Mike; Van Orman, James; Cherniak, Daniele J.; Bruce Watson, E.; Mukhopadhyay, Sujoy; Morgan, Dane

2018-02-01

The distribution of He isotopes is used to trace heterogeneities in the Earth's mantle, and is particularly useful for constraining the length scale of heterogeneity due to the generally rapid diffusivity of helium. However, such an analysis is challenging because He diffusivities are largely unknown in lower mantle phases, which can influence the He profiles in regions that cycle through the lower mantle. With this motivation, we have used first-principles simulations based on density functional theory to study He diffusion in MgO, an important lower mantle phase. We first studied the case of interstitial helium diffusion in perfect MgO and found a migration barrier of 0.73 eV at zero pressure. Then we used the kinetic Monte Carlo method to study the case of substitutional He diffusion in MgO, where we assumed that He diffuses on the cation sublattice through cation vacancies. We also performed experiments on He diffusion at atmospheric pressure using ion implantation and nuclear reaction analysis in both as-received and Ga-doped samples. A comparison between the experimental and simulation results are shown. This work provides a foundation for further studies at high-pressure.

Parametric dictionary learning for modeling EAP and ODF in diffusion MRI.

PubMed

Merlet, Sylvain; Caruyer, Emmanuel; Deriche, Rachid

2012-01-01

In this work, we propose an original and efficient approach to exploit the ability of Compressed Sensing (CS) to recover diffusion MRI (dMRI) signals from a limited number of samples while efficiently recovering important diffusion features such as the ensemble average propagator (EAP) and the orientation distribution function (ODF). Some attempts to sparsely represent the diffusion signal have already been performed. However and contrarly to what has been presented in CS dMRI, in this work we propose and advocate the use of a well adapted learned dictionary and show that it leads to a sparser signal estimation as well as to an efficient reconstruction of very important diffusion features. We first propose to learn and design a sparse and parametric dictionary from a set of training diffusion data. Then, we propose a framework to analytically estimate in closed form two important diffusion features: the EAP and the ODF. Various experiments on synthetic, phantom and human brain data have been carried out and promising results with reduced number of atoms have been obtained on diffusion signal reconstruction, thus illustrating the added value of our method over state-of-the-art SHORE and SPF based approaches.

Statistical variances of diffusional properties from ab initio molecular dynamics simulations

NASA Astrophysics Data System (ADS)

He, Xingfeng; Zhu, Yizhou; Epstein, Alexander; Mo, Yifei

2018-12-01

Ab initio molecular dynamics (AIMD) simulation is widely employed in studying diffusion mechanisms and in quantifying diffusional properties of materials. However, AIMD simulations are often limited to a few hundred atoms and a short, sub-nanosecond physical timescale, which leads to models that include only a limited number of diffusion events. As a result, the diffusional properties obtained from AIMD simulations are often plagued by poor statistics. In this paper, we re-examine the process to estimate diffusivity and ionic conductivity from the AIMD simulations and establish the procedure to minimize the fitting errors. In addition, we propose methods for quantifying the statistical variance of the diffusivity and ionic conductivity from the number of diffusion events observed during the AIMD simulation. Since an adequate number of diffusion events must be sampled, AIMD simulations should be sufficiently long and can only be performed on materials with reasonably fast diffusion. We chart the ranges of materials and physical conditions that can be accessible by AIMD simulations in studying diffusional properties. Our work provides the foundation for quantifying the statistical confidence levels of diffusion results from AIMD simulations and for correctly employing this powerful technique.

Assessing the Expected Value of Research Studies in Reducing Uncertainty and Improving Implementation Dynamics.

PubMed

Grimm, Sabine E; Dixon, Simon; Stevens, John W

2017-07-01

With low implementation of cost-effective health technologies being a problem in many health systems, it is worth considering the potential effects of research on implementation at the time of health technology assessment. Meaningful and realistic implementation estimates must be of dynamic nature. To extend existing methods for assessing the value of research studies in terms of both reduction of uncertainty and improvement in implementation by considering diffusion based on expert beliefs with and without further research conditional on the strength of evidence. We use expected value of sample information and expected value of specific implementation measure concepts accounting for the effects of specific research studies on implementation and the reduction of uncertainty. Diffusion theory and elicitation of expert beliefs about the shape of diffusion curves inform implementation dynamics. We illustrate use of the resulting dynamic expected value of research in a preterm birth screening technology and results are compared with those from a static analysis. Allowing for diffusion based on expert beliefs had a significant impact on the expected value of research in the case study, suggesting that mistakes are made where static implementation levels are assumed. Incorporating the effects of research on implementation resulted in an increase in the expected value of research compared to the expected value of sample information alone. Assessing the expected value of research in reducing uncertainty and improving implementation dynamics has the potential to complement currently used analyses in health technology assessments, especially in recommendations for further research. The combination of expected value of research, diffusion theory, and elicitation described in this article is an important addition to the existing methods of health technology assessment.

Investigation of optical properties of nickel oxide nanostructures using photoluminescence and diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Siddique, M. Naseem; Ahmed, Ateeq; Ali, T.; Tripathi, P.

2018-05-01

Nickel oxide (NiO) nanoparticles with a crystal size of around 16.26 nm have been synthesized via sol-gel method. The synthesized precursor was calcined at 600 °C for 4 hours to obtain the nickel oxide nanoparticles. The XRD analysis result indicated that the calcined sample has a cubic structure without any impurity phases. The FTIR analysis result confirmed the formation of NiO. The NiO nanoparticle exhibited absorption band edge at 277.27 nm and the optical band gap have been estimated approximately 4.47 eV using diffuse reflectance spectroscopy and photoluminescence emission spectrum of our as-synthesized sample showed strong peak at 3.65 eV attributed to the band edge transition.

An information diffusion technique to assess integrated hazard risks.

PubMed

Huang, Chongfu; Huang, Yundong

2018-02-01

An integrated risk is a scene in the future associated with some adverse incident caused by multiple hazards. An integrated probability risk is the expected value of disaster. Due to the difficulty of assessing an integrated probability risk with a small sample, weighting methods and copulas are employed to avoid this obstacle. To resolve the problem, in this paper, we develop the information diffusion technique to construct a joint probability distribution and a vulnerability surface. Then, an integrated risk can be directly assessed by using a small sample. A case of an integrated risk caused by flood and earthquake is given to show how the suggested technique is used to assess the integrated risk of annual property loss. Copyright © 2017 Elsevier Inc. All rights reserved.

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.

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.

Density functional calculation of activation energies for lattice and grain boundary diffusion in alumina

NASA Astrophysics Data System (ADS)

Lei, Yinkai; Gong, Yu; Duan, Zhiyao; Wang, Guofeng

2013-06-01

To acquire knowledge on the lattice and grain boundary diffusion processes in alumina, we have determined the activation energies of elementary O and Al diffusive jumps in the bulk crystal, Σ3(0001) grain boundaries, and Σ3(101¯0) grain boundaries of α-Al2O3 using the first-principles density functional theory method. Specifically, we calculated the activation energies for four elementary jumps of both O and Al lattice diffusion in alumina. It was predicted that the activation energy of O lattice diffusion varied from 3.58 to 5.03 eV, while the activation energy of Al lattice diffusion ranged from 1.80 to 3.17 eV. As compared with experimental measurements, the theoretical predictions of the activation energy for lattice diffusion were lower and thus implied that there might be other high-energy diffusive jumps in the experimental alumina samples. Moreover, our results suggested that the Al lattice diffusion was faster than the O lattice diffusion in alumina, in agreement with experiment observations. Furthermore, it was found from our calculations for α-Al2O3 that the activation energies of O and Al grain boundary diffusion in the high-energy Σ3(0001) grain boundaries were significantly lower than those of the lattice diffusion. In contrast, the activation energies of O and Al grain boundary diffusion in the low-energy Σ3(101¯0) grain boundaries could be even higher than those of the lattice diffusion.

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

NASA Astrophysics Data System (ADS)

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

2012-05-01

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

A novel personal air sampling device for collecting volatile organic compounds: a comparison to charcoal tubes and diffusive badges.

PubMed

Rossner, Alan; Farant, Jean-Pierre

2004-02-01

Evacuated canisters have been used for many years to collect ambient air samples for gases and vapors. Recently, significant interest has arisen in using evacuated canisters for personal breathing zone sampling as an alternative to sorbent sampling. A novel flow control device was designed and built at McGill University. The flow control device was designed to provide a very low flow rate, <0.5 mL/min, to allow a sample to be collected over an extended period of time. Previous experiments run at McGill have shown agreement between the mathematical and empirical models to predict flow rate. The flow control device combined with an evacuated canister (capillary flow control-canister) was used in a series of experiments to evaluate its performance against charcoal tubes and diffusive badges. Air samples of six volatile organic compounds were simultaneously collected in a chamber using the capillary flow control-canister, charcoal tubes, and diffusive badges. Five different concentrations of the six volatile organic compounds were evaluated. The results from the three sampling devices were compared to each other and to concentration values obtained using an online gas chromatograph (GC). Eighty-four samples of each method were collected for each of the six chemicals. Results indicate that the capillary flow control-canister device compares quite favorably to the online GC and to the charcoal tubes, p > 0.05 for most of the tests. The capillary flow control-canister was found to be more accurate for the compounds evaluated, easier to use, and easier to analyze than charcoal tubes and passive dosimeter badges.

The Shell Seeker: What Is the Quantity of Shell in the Lido di Venezia Sand? A Calibration DRIFTS Experiment

ERIC Educational Resources Information Center

Pezzolo, Alessandra De Lorenzi

2011-01-01

In this experiment, students are given a fanciful application of the standard addition method to evaluate the approximate quantity of the shell component in a sample of sand collected on the Lido di Venezia seashore. Several diffuse reflectance infrared Fourier transform (DRIFT) spectra are recorded from a sand sample before and after addition of…

Statistical CT noise reduction with multiscale decomposition and penalized weighted least squares in the projection domain

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

Tang Shaojie; Tang Xiangyang; School of Automation, Xi'an University of Posts and Telecommunications, Xi'an, Shaanxi 710121

2012-09-15

Purposes: The suppression of noise in x-ray computed tomography (CT) imaging is of clinical relevance for diagnostic image quality and the potential for radiation dose saving. Toward this purpose, statistical noise reduction methods in either the image or projection domain have been proposed, which employ a multiscale decomposition to enhance the performance of noise suppression while maintaining image sharpness. Recognizing the advantages of noise suppression in the projection domain, the authors propose a projection domain multiscale penalized weighted least squares (PWLS) method, in which the angular sampling rate is explicitly taken into consideration to account for the possible variation ofmore » interview sampling rate in advanced clinical or preclinical applications. Methods: The projection domain multiscale PWLS method is derived by converting an isotropic diffusion partial differential equation in the image domain into the projection domain, wherein a multiscale decomposition is carried out. With adoption of the Markov random field or soft thresholding objective function, the projection domain multiscale PWLS method deals with noise at each scale. To compensate for the degradation in image sharpness caused by the projection domain multiscale PWLS method, an edge enhancement is carried out following the noise reduction. The performance of the proposed method is experimentally evaluated and verified using the projection data simulated by computer and acquired by a CT scanner. Results: The preliminary results show that the proposed projection domain multiscale PWLS method outperforms the projection domain single-scale PWLS method and the image domain multiscale anisotropic diffusion method in noise reduction. In addition, the proposed method can preserve image sharpness very well while the occurrence of 'salt-and-pepper' noise and mosaic artifacts can be avoided. Conclusions: Since the interview sampling rate is taken into account in the projection domain multiscale decomposition, the proposed method is anticipated to be useful in advanced clinical and preclinical applications where the interview sampling rate varies.« less

Non-Gaussian diffusion in static disordered media

NASA Astrophysics Data System (ADS)

Luo, Liang; Yi, Ming

2018-04-01

Non-Gaussian diffusion is commonly considered as a result of fluctuating diffusivity, which is correlated in time or in space or both. In this work, we investigate the non-Gaussian diffusion in static disordered media via a quenched trap model, where the diffusivity is spatially correlated. Several unique effects due to quenched disorder are reported. We analytically estimate the diffusion coefficient Ddis and its fluctuation over samples of finite size. We show a mechanism of population splitting in the non-Gaussian diffusion. It results in a sharp peak in the distribution of displacement P (x ,t ) around x =0 , that has frequently been observed in experiments. We examine the fidelity of the coarse-grained diffusion map, which is reconstructed from particle trajectories. Finally, we propose a procedure to estimate the correlation length in static disordered environments, where the information stored in the sample-to-sample fluctuation has been utilized.

Extracting dielectric fixed charge density on highly doped crystalline-silicon surfaces using photoconductance measurements

NASA Astrophysics Data System (ADS)

To, A.; Hoex, B.

2017-11-01

A novel method for the extraction of fixed interface charge, Qf, and the surface recombination parameters, Sn0 and Sp0, from the injection-level dependent effective minority carrier lifetime measurements is presented. Unlike conventional capacitance-voltage measurements, this technique can be applied to highly doped surfaces provided the surface carrier concentration transitions into strong depletion or inversion with increased carrier injection. By simulating the injection level dependent Auger-corrected inverse lifetime curve of symmetrically passivated and diffused samples after sequential annealing and corona charging, it was revealed that Qf, Sn0, and Sp0 have unique signatures. Therefore, these important electronic parameters, in some instances, can independently be resolved. Furthermore, it was shown that this non-linear lifetime behaviour is exhibited on both p-type and n-type diffused inverted surfaces, by demonstrating the approach with phosphorous diffused n+pn+ structures and boron diffused p+np+ structures passivated with aluminium oxide (AlOx) and silicon nitride, respectively (SiNx). The results show that the approximation of a mid-gap Shockley-Read-Hall defect level with equal capture cross sections is able to, in the samples studied in this work, reproduce the observed injection level dependent lifetime behaviour.

Thermal diffusivity of peat, sand and their mixtures at different water contents

NASA Astrophysics Data System (ADS)

Gvozdkova, Anna; Arkhangelskaya, Tatiana

2014-05-01

Thermal diffusivity of peat, sand and their mixtures at different water contents was studied using the unsteady-state method described in (Parikh et al., 1979). Volume sand content in studied samples was 0 % (pure peat), 5, 10, 15, 20, 30, 40, 50, 55 and 62 % (pure sand). Thermal diffusivity of air-dry samples varied from 0.6×10-7m2s-1 for pure peat to 7.0×10-7m2s-1 for pure sand. Adding 5 and 10 vol. % of sand didn't change the thermal diffusivity of studied mixture as compared with that of the pure air-dry peat. Adding 15 % of sand resulted in significant increase of thermal diffusivity by approximately 1.5 times: from 0.6×10-7m2s-1 to 0.9×10-7m2s-1. It means that small amounts of sand with separate sand particles distributed within the peat don't contribute much to the heat transfer through the studied media. And there is a kind of threshold between the 10 and 15 vol. % of sand, after which the continuous sandy chains are formed within the peat, which can serve as preferential paths of heat transport. Adding 20 and 30 % of sand resulted in further increase of thermal diffusivity to 1.3×10-7m2s-1 and 1.7×10-7m2s-1, which is more than two and three times greater than the initial value for pure peat. Thermal diffusivity vs. moisture content dependencies had different shapes. For sand contents of 0 to 40 vol. % the thermal diffusivity increased with water content in the whole studied range from air-dry samples to the capillary moistened ones. For pure peat the experimental curves were almost linear; the more sand was added the more pronounced became the S-shape of the curves. For sand contents of 50 % and more the curves had a pronounced maximum within the range of water contents between 0.10 and 0.25 m3m-3 and then decreased. The experimental k(θ) curves, where k is soil thermal diffusivity, θ is water content, were parameterized with a 4-parameter approximating function (Arkhangelskaya, 2009, 2014). The suggested approximation has an advantage of clear physical interpretation: the parameters are (1) the thermal diffusivity of the dry sample; (2) the difference between the highest thermal diffusivity at some optional water content and that of the dry sample; (3) the optional water content at which the thermal diffusivity reaches its maximum; (4) half-width of the peak of the k(θ) curve. The increase of sand contents in studied mixtures was accompanied by the increase of the parameters (1), (2) and (4) and the decrease of the parameter (3). References Parikh R.J., Havens J.A., Scott H.D., 1979. Thermal diffusivity and conductivity of moist porous media. Soil Science Society of America Journal 43, 1050-1052. Arkhangel'skaya T.A., 2009. Parameterization and mathematical modeling of the dependence of soil thermal diffusivity on the water content. Eurasian Soil Science 42 (2), 162-172. doi: 10.1134/S1064229309020070 Arkhangelskaya T.A., 2014. Diversity of thermal conditions within the paleocryogenic soil complexes of the East European Plain: The discussion of key factors and mathematical modeling // Geoderma. Vol. 213. P. 608-616. doi 10.1016/j.geoderma.2013.04.001

TOTAL PAH EXPOSURES OF NINE PRESCHOOL CHILDREN

EPA Science Inventory

This study evaluates the influence of denuder sampling methods and filter collection media on the measurement of semi-volatile organic carbon (SVOC) associated with PM2.5. Two types of collection media, charcoal (activated carbon) and XAD, were used both in diffusion denuders ...

Lattice Boltzmann heat transfer model for permeable voxels

NASA Astrophysics Data System (ADS)

Pereira, Gerald G.; Wu, Bisheng; Ahmed, Shakil

2017-12-01

We develop a gray-scale lattice Boltzmann (LB) model to study fluid flow combined with heat transfer for flow through porous media where voxels may be partially solid (or void). Heat transfer in rocks may lead to deformation, which in turn can modulate the fluid flow and so has significant contribution to rock permeability. The LB temperature field is compared to a finite difference solution of the continuum partial differential equations for fluid flow in a channel. Excellent quantitative agreement is found for both Poiseuille channel flow and Brinkman flow. The LB model is then applied to sample porous media such as packed beds and also more realistic sandstone rock sample, and both the convective and diffusive regimes are recovered when varying the thermal diffusivity. It is found that while the rock permeability can be comparatively small (order milli-Darcy), the temperature field can show significant variation depending on the thermal convection of the fluid. This LB method has significant advantages over other numerical methods such as finite and boundary element methods in dealing with coupled fluid flow and heat transfer in rocks which have irregular and nonsmooth pore spaces.

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.

Diffuse Reflectance Infrared Fourier Transform Spectroscopy for the Determination of Asbestos Species in Bulk Building Materials

PubMed Central

Accardo, Grazia; Cioffi, Raffaeke; Colangelo, Francesco; d’Angelo, Raffaele; De Stefano, Luca; Paglietti, Fderica

2014-01-01

Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy is a well-known technique for thin film characterization. Since all asbestos species exhibit intense adsorptions peaks in the 4000–400 cm−1 region of the infrared spectrum, a quantitative analysis of asbestos in bulk samples by DRIFT is possible. In this work, different quantitative analytical procedures have been used to quantify chrysotile content in bulk materials produced by building requalification: partial least squares (PLS) chemometrics, the Linear Calibration Curve Method (LCM) and the Method of Additions (MoA). Each method has its own pros and cons, but all give affordable results for material characterization: the amount of asbestos (around 10%, weight by weight) can be determined with precision and accuracy (errors less than 0.1). PMID:28788467

Concentration-Encoded Subdiffusive Molecular Communication: Theory, Channel Characteristics, and Optimum Signal Detection.

PubMed

Mahfuz, Mohammad Upal; Makrakis, Dimitrios; Mouftah, Hussein T

2016-09-01

Unlike normal diffusion, in anomalous diffusion, the movement of a molecule is described by the correlated random walk model where the mean square displacement of a molecule depends on the power law of time. In molecular communication (MC), there are many scenarios when the propagation of molecules cannot be described by normal diffusion process, where anomalous diffusion is a better fit. In this paper, the effects of anomalous subdiffusion on concentration-encoded molecular communication (CEMC) are investigated. Although classical (i.e., normal) diffusion is a widely-used model of diffusion in molecular communication (MC) research, anomalous subdiffusion is quite common in biological media involving bio-nanomachines, yet inadequately addressed as a research issue so far. Using the fractional diffusion approach, the molecular propagation effects in the case of pure subdiffusion occurring in an unbounded three-dimensional propagation medium have been shown in detail in terms of temporal dispersion parameters of the impulse response of the subdiffusive channel. Correspondingly, the bit error rate (BER) performance of a CEMC system is investigated with sampling-based (SD) and strength (i.e., energy)-based (ED) signal detection methods. It is found that anomalous subdiffusion has distinctive time-dispersive properties that play a vital role in accurately designing a subdiffusive CEMC system. Unlike normal diffusion, to detect information symbols in subdiffusive CEMC, a receiver requires larger memory size to operate correctly and hence a more complex structure. An in-depth analysis has been made on the performances of SD and ED optimum receiver models under diffusion noise and intersymbol interference (ISI) scenarios when communication range, transmission data rate, and memory size vary. In subdiffusive CEMC, the SD method.

Strain localization and fabric development in polycrystalline anorthite + melt by water diffusion in an axial deformation experiment

NASA Astrophysics Data System (ADS)

Fukuda, Jun-ichi; Muto, Jun; Nagahama, Hiroyuki

2018-01-01

We performed two axial deformation experiments on synthetic polycrystalline anorthite samples with a grain size of 3 μm and 5 vol% Si-Al-rich glass at 900 °C, a confining pressure of 1.0 GPa, and a strain rate of 10-4.8 s-1. One sample was deformed as-is (dry); in the other sample, two half-cut samples (two cores) with 0.15 wt% water at the boundary were put together in the apparatus. The mechanical data for both samples were essentially identical with a yield strength of 700 MPa and strain weakening of 500 MPa by 20% strain. The dry sample appears to have been deformed by distributed fracturing. Meanwhile, the water-added sample shows plastic strain localization in addition to fracturing and reaction products composed of zoisite grains and SiO2 materials along the boundary between the two sample cores. Infrared spectra of the water-added sample showed dominant water bands of zoisite. The maximum water content was 1500 wt ppm H2O at the two-core boundary, which is the same as the added amount. The water contents gradually decreased from the boundaries to the sample interior, and the gradient fitted well with the solution of the one-dimensional diffusion equation. The determined diffusion coefficient was 7.4 × 10-13 m2/s, which agrees with previous data for the grain boundary diffusion of water. The anorthite grains in the water-added sample showed no crystallographic preferred orientation. Textural observations and water diffusion indicate that water promotes the plastic deformation of polycrystalline anorthite by grain-size-sensitive creep as well as simultaneous reactions. We calculated the strain rate evolution controlled by water diffusion in feldspar aggregates surrounded by a water source. We assumed water diffusion in a dry rock mass with variable sizes. Diffused water weakens a rock mass with time under compressive stress. The calculated strain rate decreased from 10-10 to 10-15 s-1 with an increase in the rock mass size to which water is supplied from < 1 m to 1 km and an increase in the time of water diffusion from < 1 to 10,000 years. This indicates a decrease in the strain rate in a rock mass with increasing deformation via water diffusion.

Space-resolved diffusing wave spectroscopy measurements of the macroscopic deformation and the microscopic dynamics in tensile strain tests

NASA Astrophysics Data System (ADS)

Nagazi, Med-Yassine; Brambilla, Giovanni; Meunier, Gérard; Marguerès, Philippe; Périé, Jean-Noël; Cipelletti, Luca

2017-01-01

We couple a laser-based, space-resolved dynamic light scattering apparatus to a universal traction machine for mechanical extensional tests. We perform simultaneous optical and mechanical measurements on polyether ether ketone, a semi-crystalline polymer widely used in the industry. Due to the high turbidity of the sample, light is multiply scattered by the sample and the diffusing wave spectroscopy (DWS) formalism is used to interpret the data. Space-resolved DWS yields spatial maps of the sample strain and of the microscopic dynamics. An excellent agreement is found between the strain maps thus obtained and those measured by a conventional stereo-digital image correlation technique. The microscopic dynamics reveals both affine motion and plastic rearrangements. Thanks to the extreme sensitivity of DWS to displacements as small as 1 nm, plastic activity and its spatial localization can be detected at an early stage of the sample strain, making the technique presented here a valuable complement to existing material characterization methods.

Nonnegative definite EAP and ODF estimation via a unified multi-shell HARDI reconstruction.

PubMed

Cheng, Jian; Jiang, Tianzi; Deriche, Rachid

2012-01-01

In High Angular Resolution Diffusion Imaging (HARDI), Orientation Distribution Function (ODF) and Ensemble Average Propagator (EAP) are two important Probability Density Functions (PDFs) which reflect the water diffusion and fiber orientations. Spherical Polar Fourier Imaging (SPFI) is a recent model-free multi-shell HARDI method which estimates both EAP and ODF from the diffusion signals with multiple b values. As physical PDFs, ODFs and EAPs are nonnegative definite respectively in their domains S2 and R3. However, existing ODF/EAP estimation methods like SPFI seldom consider this natural constraint. Although some works considered the nonnegative constraint on the given discrete samples of ODF/EAP, the estimated ODF/EAP is not guaranteed to be nonnegative definite in the whole continuous domain. The Riemannian framework for ODFs and EAPs has been proposed via the square root parameterization based on pre-estimated ODFs and EAPs by other methods like SPFI. However, there is no work on how to estimate the square root of ODF/EAP called as the wavefuntion directly from diffusion signals. In this paper, based on the Riemannian framework for ODFs/EAPs and Spherical Polar Fourier (SPF) basis representation, we propose a unified model-free multi-shell HARDI method, named as Square Root Parameterized Estimation (SRPE), to simultaneously estimate both the wavefunction of EAPs and the nonnegative definite ODFs and EAPs from diffusion signals. The experiments on synthetic data and real data showed SRPE is more robust to noise and has better EAP reconstruction than SPFI, especially for EAP profiles at large radius.

Collision cascades enhanced hydrogen redistribution in cobalt implanted hydrogenated diamond-like carbon films

NASA Astrophysics Data System (ADS)

Gupta, P.; Becker, H.-W.; Williams, G. V. M.; Hübner, R.; Heinig, K.-H.; Markwitz, A.

2017-03-01

Hydrogenated diamond-like carbon films produced by C3H6 deposition at 5 kV and implanted at room temperature with 30 keV Co atoms to 12 at.% show not only a bimodal distribution of Co atoms but also a massive redistribution of hydrogen in the films. Resonant nuclear reaction analysis was used to measure the hydrogen depth profiles (15N-method). Depletion of hydrogen near the surface was measured to be as low as 7 at.% followed by hydrogen accumulation from 27 to 35 at.%. A model is proposed considering the thermal energy deposited by collision cascade for thermal insulators. In this model, sufficient energy is provided for dissociated hydrogen to diffuse out of the sample from the surface and diffuse into the sample towards the interface which is however limited by the range of the incoming Co ions. At a hydrogen concentration of ∼35 at.%, the concentration gradient of the mobile unbounded hydrogen atoms is neutralised effectively stopping diffusion towards the interface. The results point towards new routes of controlling the composition and distribution of elements at the nanoscale within a base matrix without using any heat treatment methods. Exploring these opportunities can lead to a new horizon of materials and device engineering needed for enabling advanced technologies and applications.

Nanoscale simulation of shale transport properties using the lattice Boltzmann method: Permeability and diffusivity

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

Chen, Li; Zhang, Lei; Kang, Qinjun

Here, porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsicmore » permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. We find that for the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.« less

Nanoscale simulation of shale transport properties using the lattice Boltzmann method: Permeability and diffusivity

DOE PAGES

Chen, Li; Zhang, Lei; Kang, Qinjun; ...

2015-01-28

Here, porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsicmore » permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. We find that for the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.« less

Nanoscale simulation of shale transport properties using the lattice Boltzmann method: permeability and diffusivity

PubMed Central

Chen, Li; Zhang, Lei; Kang, Qinjun; Viswanathan, Hari S.; Yao, Jun; Tao, Wenquan

2015-01-01

Porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsic permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. For the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed. PMID:25627247

Fuji apple storage time rapid determination method using Vis/NIR spectroscopy.

PubMed

Liu, Fuqi; Tang, Xuxiang

2015-01-01

Fuji apple storage time rapid determination method using visible/near-infrared (Vis/NIR) spectroscopy was studied in this paper. Vis/NIR diffuse reflection spectroscopy responses to samples were measured for 6 days. Spectroscopy data were processed by stochastic resonance (SR). Principal component analysis (PCA) was utilized to analyze original spectroscopy data and SNR eigen value. Results demonstrated that PCA could not totally discriminate Fuji apples using original spectroscopy data. Signal-to-noise ratio (SNR) spectrum clearly classified all apple samples. PCA using SNR spectrum successfully discriminated apple samples. Therefore, Vis/NIR spectroscopy was effective for Fuji apple storage time rapid discrimination. The proposed method is also promising in condition safety control and management for food and environmental laboratories.

Fuji apple storage time rapid determination method using Vis/NIR spectroscopy

PubMed Central

Liu, Fuqi; Tang, Xuxiang

2015-01-01

Fuji apple storage time rapid determination method using visible/near-infrared (Vis/NIR) spectroscopy was studied in this paper. Vis/NIR diffuse reflection spectroscopy responses to samples were measured for 6 days. Spectroscopy data were processed by stochastic resonance (SR). Principal component analysis (PCA) was utilized to analyze original spectroscopy data and SNR eigen value. Results demonstrated that PCA could not totally discriminate Fuji apples using original spectroscopy data. Signal-to-noise ratio (SNR) spectrum clearly classified all apple samples. PCA using SNR spectrum successfully discriminated apple samples. Therefore, Vis/NIR spectroscopy was effective for Fuji apple storage time rapid discrimination. The proposed method is also promising in condition safety control and management for food and environmental laboratories. PMID:25874818

Single molecule studies of solvent-dependent diffusion and entrapment in poly(dimethylsiloxane) thin films.

PubMed

Lange, Jeffrey J; Culbertson, Christopher T; Higgins, Daniel A

2008-12-15

Single molecule microscopic and spectroscopic methods are employed to probe the mobility and physical entrapment of dye molecules in dry and solvent-loaded poly(dimethylsiloxane) (PDMS) films. PDMS films of approximately 220 nm thickness are prepared by spin casting dilute solutions of Sylgard 184 onto glass coverslips, followed by low temperature curing. A perylene diimide dye (BPPDI) is used to probe diffusion and molecule-matrix interactions. Two classes of dye-loaded samples are investigated: (i) those incorporating dye dispersed throughout the films ("in film" samples) and (ii) those in which the dye is restricted primarily to the PDMS surface ("on film" samples). Experiments are performed under dry nitrogen and at various levels of isopropyl alcohol (IPA) loading from the vapor phase. A PDMS-coated quartz-crystal microbalance is employed to monitor solvent loading and drying of the PDMS and to ensure equilibrium conditions are achieved. Single molecules are shown to be predominantly immobile under dry conditions and mostly mobile under IPA-saturated conditions. Quantitative methods for counting the fluorescent spots produced by immobile single molecules in optical images of the samples demonstrate that the population of mobile molecules increases nonlinearly with IPA loading. Even under IPA saturated conditions, the population of fixed molecules is found to be greater than zero and is greatest for "in film" samples. Fluorescence correlation spectroscopy is used to measure the apparent diffusion coefficient for the mobile molecules, yielding a mean value of D = 1.4(+/-0.4) x 10(-8) cm(2)/s that is virtually independent of IPA loading and sample class. It is concluded that a nonzero population of dye molecules is physically entrapped within the PDMS matrix under all conditions. The increase in the population of mobile molecules under high IPA conditions is attributed to the filling of film micropores with solvent, rather than by incorporation of molecularly dispersed solvent into the PDMS.

Effect of Ca substitution on some physical properties of nano-structured and bulk Ni-ferrite samples

NASA Astrophysics Data System (ADS)

Assar, S. T.; Abosheiasha, H. F.

2015-01-01

Nanoparticles of Ni1-xCaxFe2O4 (x=0.0, 0.02, 0.04, 0.06 and 0.10) were prepared by citrate precursor method. A part of these samples was sintered at 600 °C for 2 h in order to keep the particles within the nano-size while the other part was sintered at 1000 °C to let the particles to grow to the bulk size. The effect of Ca2+ ion substitution in nickel ferrite on some structural, magnetic, electrical and thermal properties was investigated. All samples were characterized by using X-ray diffraction (XRD), transmission electron microscope (TEM), Fourier transform infrared spectroscopy (FTIR) and vibrating sample magnetometer (VSM). A two probe method was used to measure the dc electrical conductivity whereas the photoacoustic (PA) technique was used to determine the thermal diffusivity of the samples. To interpret different experimental results for nano and bulk samples some cation distributions were assumed based on the VSM and XRD data. These suggested cation distributions give logical explanations for other experimental results such as the observed values of the absorption bands in FTIR spectra and the dc conductivity results. Finally, in the thermal measurements it was found that increasing the Ca2+ ion content causes a decrease in the thermal diffusivity of both nano and bulk samples. The explanation of this behavior is ascribed to the phonon-phonon scattering.

Determining biological tissue optical properties via integrating sphere spatial measurements

DOEpatents

Baba, Justin S [Knoxville, TN; Letzen, Brian S [Coral Springs, FL

2011-01-11

An optical sample is mounted on a spatial-acquisition apparatus that is placed in or on an enclosure. An incident beam is irradiated on a surface of the sample and the specular reflection is allowed to escape from the enclosure through an opening. The spatial-acquisition apparatus is provided with a light-occluding slider that moves in front of the sample to block portions of diffuse scattering from the sample. As the light-occluding slider moves across the front of the sample, diffuse light scattered into the area of the backside of the light-occluding slider is absorbed by back side surface of the light-occluding slider. By measuring a baseline diffuse reflectance without a light-occluding slider and subtracting measured diffuse reflectance with a light-occluding slider therefrom, diffuse reflectance for the area blocked by the light-occluding slider can be calculated.

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

NASA Technical Reports Server (NTRS)

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

2009-01-01

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

Microscale diffusion measurements and simulation of a scaffold with a permeable strut.

PubMed

Lee, Seung Youl; Lee, Byung Ryong; Lee, Jongwan; Kim, Seongjun; Kim, Jung Kyung; Jeong, Young Hun; Jin, Songwan

2013-10-10

Electrospun nanofibrous structures provide good performance to scaffolds in tissue engineering. We measured the local diffusion coefficients of 3-kDa FITC-dextran in line patterns of electrospun nanofibrous structures fabricated by the direct-write electrospinning (DWES) technique using the fluorescence recovery after photobleaching (FRAP) method. No significant differences were detected between DWES line patterns fabricated with polymer supplied at flow rates of 0.1 and 0.5 mL/h. The oxygen diffusion coefficients of samples were estimated to be ~92%-94% of the oxygen diffusion coefficient in water based on the measured diffusion coefficient of 3-kDa FITC-dextran. We also simulated cell growth and distribution within spatially patterned scaffolds with struts consisting of either oxygen-permeable or non-permeable material. The permeable strut scaffolds exhibited enhanced cell growth. Saturated depths at which cells could grow to confluence were 15% deeper for the permeable strut scaffolds than for the non-permeable strut scaffold.

Interleaved EPI diffusion imaging using SPIRiT-based reconstruction with virtual coil compression.

PubMed

Dong, Zijing; Wang, Fuyixue; Ma, Xiaodong; Zhang, Zhe; Dai, Erpeng; Yuan, Chun; Guo, Hua

2018-03-01

To develop a novel diffusion imaging reconstruction framework based on iterative self-consistent parallel imaging reconstruction (SPIRiT) for multishot interleaved echo planar imaging (iEPI), with computation acceleration by virtual coil compression. As a general approach for autocalibrating parallel imaging, SPIRiT improves the performance of traditional generalized autocalibrating partially parallel acquisitions (GRAPPA) methods in that the formulation with self-consistency is better conditioned, suggesting SPIRiT to be a better candidate in k-space-based reconstruction. In this study, a general SPIRiT framework is adopted to incorporate both coil sensitivity and phase variation information as virtual coils and then is applied to 2D navigated iEPI diffusion imaging. To reduce the reconstruction time when using a large number of coils and shots, a novel shot-coil compression method is proposed for computation acceleration in Cartesian sampling. Simulations and in vivo experiments were conducted to evaluate the performance of the proposed method. Compared with the conventional coil compression, the shot-coil compression achieved higher compression rates with reduced errors. The simulation and in vivo experiments demonstrate that the SPIRiT-based reconstruction outperformed the existing method, realigned GRAPPA, and provided superior images with reduced artifacts. The SPIRiT-based reconstruction with virtual coil compression is a reliable method for high-resolution iEPI diffusion imaging. Magn Reson Med 79:1525-1531, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

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

NASA Astrophysics Data System (ADS)

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

2016-08-01

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

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

NASA Astrophysics Data System (ADS)

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

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

Detecting compartmental non-Gaussian diffusion with symmetrized double-PFG MRI.

PubMed

Paulsen, Jeffrey L; Özarslan, Evren; Komlosh, Michal E; Basser, Peter J; Song, Yi-Qiao

2015-11-01

Diffusion in tissue and porous media is known to be non-Gaussian and has been used for clinical indications of stroke and other tissue pathologies. However, when conventional NMR techniques are applied to biological tissues and other heterogeneous materials, the presence of multiple compartments (pores) with different Gaussian diffusivities will also contribute to the measurement of non-Gaussian behavior. Here we present symmetrized double PFG (sd-PFG), which can separate these two contributions to non-Gaussian signal decay as having distinct angular modulation frequencies. In contrast to prior angular d-PFG methods, sd-PFG can unambiguously extract kurtosis as an oscillation from samples with isotropic or uniformly oriented anisotropic pores, and can generally extract a combination of compartmental anisotropy and kurtosis. The method further fixes its sensitivity with respect to the time dependence of the apparent diffusion coefficient. We experimentally demonstrate the measurement of the fourth cumulant (kurtosis) of diffusion and find it consistent with theoretical predictions. By enabling the unambiguous identification of contributions of compartmental kurtosis to the signal, sd-PFG has the potential to help identify the underlying micro-structural changes corresponding to current kurtosis based diagnostics, and act as a novel source of contrast to better resolve tissue micro-structure. Copyright © 2015 John Wiley & Sons, Ltd.

Improved diffusion Monte Carlo propagators for bosonic systems using Itô calculus

NASA Astrophysics Data System (ADS)

Hâkansson, P.; Mella, M.; Bressanini, Dario; Morosi, Gabriele; Patrone, Marta

2006-11-01

The construction of importance sampled diffusion Monte Carlo (DMC) schemes accurate to second order in the time step is discussed. A central aspect in obtaining efficient second order schemes is the numerical solution of the stochastic differential equation (SDE) associated with the Fokker-Plank equation responsible for the importance sampling procedure. In this work, stochastic predictor-corrector schemes solving the SDE and consistent with Itô calculus are used in DMC simulations of helium clusters. These schemes are numerically compared with alternative algorithms obtained by splitting the Fokker-Plank operator, an approach that we analyze using the analytical tools provided by Itô calculus. The numerical results show that predictor-corrector methods are indeed accurate to second order in the time step and that they present a smaller time step bias and a better efficiency than second order split-operator derived schemes when computing ensemble averages for bosonic systems. The possible extension of the predictor-corrector methods to higher orders is also discussed.

Direct reconstruction in CT-analogous pharmacokinetic diffuse fluorescence tomography: two-dimensional simulative and experimental validations

NASA Astrophysics Data System (ADS)

Wang, Xin; Zhang, Yanqi; Zhang, Limin; Li, Jiao; Zhou, Zhongxing; Zhao, Huijuan; Gao, Feng

2016-04-01

We present a generalized strategy for direct reconstruction in pharmacokinetic diffuse fluorescence tomography (DFT) with CT-analogous scanning mode, which can accomplish one-step reconstruction of the indocyanine-green pharmacokinetic-rate images within in vivo small animals by incorporating the compartmental kinetic model into an adaptive extended Kalman filtering scheme and using an instantaneous sampling dataset. This scheme, compared with the established indirect and direct methods, eliminates the interim error of the DFT inversion and relaxes the expensive requirement of the instrument for obtaining highly time-resolved date-sets of complete 360 deg projections. The scheme is validated by two-dimensional simulations for the two-compartment model and pilot phantom experiments for the one-compartment model, suggesting that the proposed method can estimate the compartmental concentrations and the pharmacokinetic-rates simultaneously with a fair quantitative and localization accuracy, and is well suitable for cost-effective and dense-sampling instrumentation based on the highly-sensitive photon counting technique.

Application of aerial photography to the study of small scale upper ocean phenomena

NASA Technical Reports Server (NTRS)

Ichiye, T.; Carnes, M.

1981-01-01

The industrial waste dumped 180 n. miles south of Galveston was monitored in July 1977 by water sampling, hydrographic measurements, acoustic tracking on board two vessels, and by aerial photography. The plume of the waste diffused vertically and horizontally. Photodensitometry of aerial photos of the plume showed lateral dispersion of the plume in agreement with two other methods: acoustic tracking of the waste suspensoid and transmissometer sampling. In addition, the method showed small scale features like the lateral and longitudinal variations in the photodensity, indicating the waste concentration. This waste concentration showed periodic changes in its axial distance, with the spectral peak at about 160 m wave length. It shows a sharp increase at the windward edge of the plume as do the acoustic records. This phenomenon is explained in terms of the shearing current near the surface together with vertical diffusion. The periodic change along the axis is explained in terms of the Langmuir circulation and in terms of internal ship waves.

Advances in spectroscopic methods for quantifying soil carbon

USGS Publications Warehouse

Liebig, Mark; Franzluebbers, Alan J.; Follett, Ronald F.; Hively, W. Dean; Reeves, James B.; McCarty, Gregory W.; Calderon, Francisco

2012-01-01

The gold standard for soil C determination is combustion. However, this method requires expensive consumables, is limited to the determination of the total carbon and in the number of samples which can be processed (~100/d). With increased interest in soil C sequestration, faster methods are needed. Thus, interest in methods based on diffuse reflectance spectroscopy in the visible, near-infrared or mid-infrared ranges using either proximal or remote sensing. These methods have the ability to analyze more samples (2 to 3X/d) or huge areas (imagery) and do multiple analytes simultaneously, but require calibrations relating spectral and reference data and have specific problems, i.e., remote sensing is capable of scanning entire watersheds, thus reducing the sampling needed, but is limiting to the surface layer of tilled soils and by difficulty in obtaining proper calibration reference values. The objective of this discussion is the present state of spectroscopic methods for soil C determination.

Material Science Experiments on Mir

NASA Technical Reports Server (NTRS)

Kroes, Roger L.

1999-01-01

This paper describes the microgravity materials experiments carried out on the Shuttle/Mir program. There were six experiments, all of which investigated some aspect of diffusivity in liquid melts. The Liquid Metal Diffusion (LMD) experiment investigated the diffusivity of molten Indium samples at 185 C using a radioactive tracer, In-114m. By monitoring two different gamma ray energies (190 keV and 24 keV) emitted by the samples it was possible to measure independently the diffusion rates in the bulk and at the surface of the samples. The Queens University Experiment in Liquid Diffusion (QUELD) was the furnace facility used to process 213 samples for the five other experiments. These experiments investigated the diffusion, ripening, crystal growth, and glass formation in metal, semiconductor, and glass samples. This facility had the capability to process samples in an isothermal or gradient configuration for varying periods of time at temperatures up to 900 C. Both the LMD and the QUELD furnaces were mounted on the Microgravity Isolation Mount (MIM) which provided isolation from g-jitter. All the microgravity experiments were supported by the Space Acceleration Measurement System (SAMS); a three head three axes acceleration monitoring system which measured and recorded the acceleration environment.

High-fidelity meshes from tissue samples for diffusion MRI simulations.

PubMed

Panagiotaki, Eleftheria; Hall, Matt G; Zhang, Hui; Siow, Bernard; Lythgoe, Mark F; Alexander, Daniel C

2010-01-01

This paper presents a method for constructing detailed geometric models of tissue microstructure for synthesizing realistic diffusion MRI data. We construct three-dimensional mesh models from confocal microscopy image stacks using the marching cubes algorithm. Random-walk simulations within the resulting meshes provide synthetic diffusion MRI measurements. Experiments optimise simulation parameters and complexity of the meshes to achieve accuracy and reproducibility while minimizing computation time. Finally we assess the quality of the synthesized data from the mesh models by comparison with scanner data as well as synthetic data from simple geometric models and simplified meshes that vary only in two dimensions. The results support the extra complexity of the three-dimensional mesh compared to simpler models although sensitivity to the mesh resolution is quite robust.

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.

Optical measurement of transverse molecular diffusion in a microchannel.

PubMed Central

Kamholz, A E; Schilling, E A; Yager, P

2001-01-01

Quantitative analysis of molecular diffusion is a necessity for the efficient design of most microfluidic devices as well as an important biophysical method in its own right. This study demonstrates the rapid measurement of diffusion coefficients of large and small molecules in a microfluidic device, the T-sensor, by means of conventional epifluorescence microscopy. Data were collected by monitoring the transverse flux of analyte from a sample stream into a second stream flowing alongside it. As indicated by the low Reynolds numbers of the system (< 1), flow is laminar, and molecular transport between streams occurs only by diffusion. Quantitative determinations were made by fitting data with predictions of a one-dimensional model. Analysis was made of the flow development and its effect on the distribution of diffusing analyte using a three-dimensional modeling software package. Diffusion coefficients were measured for four fluorescently labeled molecules: fluorescein-biotin, insulin, ovalbumin, and streptavidin. The resulting values differed from accepted results by an average of 2.4%. Microfluidic system parameters can be selected to achieve accurate diffusion coefficient measurements and to optimize other microfluidic devices that rely on precise transverse transport of molecules. PMID:11259309

Radial q-space sampling for DSI

PubMed Central

Baete, Steven H.; Yutzy, Stephen; Boada, Fernando, E.

2015-01-01

Purpose Diffusion Spectrum Imaging (DSI) has been shown to be an effective tool for non-invasively depicting the anatomical details of brain microstructure. Existing implementations of DSI sample the diffusion encoding space using a rectangular grid. Here we present a different implementation of DSI whereby a radially symmetric q-space sampling scheme for DSI (RDSI) is used to improve the angular resolution and accuracy of the reconstructed Orientation Distribution Functions (ODF). Methods Q-space is sampled by acquiring several q-space samples along a number of radial lines. Each of these radial lines in q-space is analytically connected to a value of the ODF at the same angular location by the Fourier slice theorem. Results Computer simulations and in vivo brain results demonstrate that RDSI correctly estimates the ODF when moderately high b-values (4000 s/mm2) and number of q-space samples (236) are used. Conclusion The nominal angular resolution of RDSI depends on the number of radial lines used in the sampling scheme, and only weakly on the maximum b-value. In addition, the radial analytical reconstruction reduces truncation artifacts which affect Cartesian reconstructions. Hence, a radial acquisition of q-space can be favorable for DSI. PMID:26363002

Comparison of methods for the measurement of mist and vapor from light mineral oil-based metalworking fluids.

PubMed

Simpson, Andrew T

2003-11-01

The measurement of oil mist derived from metalworking fluids formulated with light mineral oils can be highly inaccurate when using traditional filter sampling. This is due to evaporation of oil from the filter. In this work the practicability of an alternative approach measuring total oil mist and vapor was investigated. Combinations of inhalable particle samplers with backup sorbent vapor traps and standard vapor sampling on pumped and diffusive sorbent tubes were evaluated with gravimetric, infrared spectroscopic, and gas chromatographic analytical methods against the performance requirements of European Standard EN 482. An artificial aerosol was used to compare the methods against a reference method of filter sampler in series with three impingers. Multi-orifice samplers were used with standard 8-mm diameter charcoal tubes at 2 L/min without any signs of channelling or significant breakthrough, as were conical inhalable samplers with XAD-2 tubes at 1 L/min. Most combinations of samplers had a bias of less than 3 percent, but solitary pumped charcoal tubes underestimated total oil by 13 percent. Diffusive sampling was affected by impaction of mist particles and condensation of oil vapor. Gravimetric analysis of filters revealed significant potential sample loss during storage, with 4 percent being lost after one day when stored at room temperature and 2 percent when refrigerated. Samples left overnight in the balance room to equilibrate lost 24 percent. Infrared spectroscopy gave more precise results for vapor than gas chromatography (p = 0.002). Gas chromatography was less susceptible to bias from contaminating solvent vapors than infrared spectroscopy, but was still vulnerable to petroleum distillates. Under the specific test conditions (one oil type and mist particle size), all combinations of methods examined complied with the requirements of European Standard EN 484. Total airborne oil can be measured accurately; however, care must be taken to avoid contamination by hydrocarbon solvent vapors during sampling.

Diffusion processes in tumors: A nuclear medicine approach

NASA Astrophysics Data System (ADS)

Amaya, Helman

2016-07-01

The number of counts used in nuclear medicine imaging techniques, only provides physical information about the desintegration of the nucleus present in the the radiotracer molecules that were uptaken in a particular anatomical region, but that information is not a real metabolic information. For this reason a mathematical method was used to find a correlation between number of counts and 18F-FDG mass concentration. This correlation allows a better interpretation of the results obtained in the study of diffusive processes in an agar phantom, and based on it, an image from the PETCETIX DICOM sample image set from OsiriX-viewer software was processed. PET-CT gradient magnitude and Laplacian images could show direct information on diffusive processes for radiopharmaceuticals that enter into the cells by simple diffusion. In the case of the radiopharmaceutical 18F-FDG is necessary to include pharmacokinetic models, to make a correct interpretation of the gradient magnitude and Laplacian of counts images.

Thermal diffusivity and adiabatic limit temperature characterization of consolidate granular expanded perlite using the flash method

NASA Astrophysics Data System (ADS)

Raefat, Saad; Garoum, Mohammed; Laaroussi, Najma; Thiam, Macodou; Amarray, Khaoula

2017-07-01

In this work experimental investigation of apparent thermal diffusivity and adiabatic limit temperature of expanded granular perlite mixes has been made using the flash technic. Perlite granulates were sieved to produce essentially three characteristic grain sizes. The consolidated samples were manufactured by mixing controlled proportions of the plaster and water. The effect of the particle size on the diffusivity was examined. The inverse estimation of the diffusivity and the adiabatic limit temperature at the rear face as well as the heat losses coefficients were performed using several numerical global minimization procedures. The function to be minimized is the quadratic distance between the experimental temperature rise at the rear face and the analytical model derived from the one dimension heat conduction. It is shown that, for all granulometry tested, the estimated parameters lead to a good agreement between the mathematical model and experimental data.

Estimating Arrhenius parameters using temperature programmed molecular dynamics.

PubMed

Imandi, Venkataramana; Chatterjee, Abhijit

2016-07-21

Kinetic rates at different temperatures and the associated Arrhenius parameters, whenever Arrhenius law is obeyed, are efficiently estimated by applying maximum likelihood analysis to waiting times collected using the temperature programmed molecular dynamics method. When transitions involving many activated pathways are available in the dataset, their rates may be calculated using the same collection of waiting times. Arrhenius behaviour is ascertained by comparing rates at the sampled temperatures with ones from the Arrhenius expression. Three prototype systems with corrugated energy landscapes, namely, solvated alanine dipeptide, diffusion at the metal-solvent interphase, and lithium diffusion in silicon, are studied to highlight various aspects of the method. The method becomes particularly appealing when the Arrhenius parameters can be used to find rates at low temperatures where transitions are rare. Systematic coarse-graining of states can further extend the time scales accessible to the method. Good estimates for the rate parameters are obtained with 500-1000 waiting times.

Coupling pervaporation to AAS for inorganic and organic mercury determination. A new approach to speciation of Hg in environmental samples.

PubMed

Fernandez-Rivas, C; Muñoz-Olivas, R; Camara, C

2001-12-01

The design and development of a new approach for Hg speciation in environmental samples is described in detail. This method, consisting of the coupling of pervaporation and atomic absorption spectrometry, is based on a membrane phenomenon that combines the evaporation of volatile analytes and their diffusion through a polymeric membrane. It is proposed here as an alternative to gas chromatography for speciation of inorganic and organic Hg compounds, as the latter compounds are volatile and can be separated by applying the principles mentioned above. The interest of this method lies in its easy handling, low cost, and rapidity for the analysis of liquid and solid samples. This method has been applied to Hg speciation in a compost sample provided by a waste water treatment plant.

Baseline Correction of Diffuse Reflection Near-Infrared Spectra Using Searching Region Standard Normal Variate (SRSNV).

PubMed

Genkawa, Takuma; Shinzawa, Hideyuki; Kato, Hideaki; Ishikawa, Daitaro; Murayama, Kodai; Komiyama, Makoto; Ozaki, Yukihiro

2015-12-01

An alternative baseline correction method for diffuse reflection near-infrared (NIR) spectra, searching region standard normal variate (SRSNV), was proposed. Standard normal variate (SNV) is an effective pretreatment method for baseline correction of diffuse reflection NIR spectra of powder and granular samples; however, its baseline correction performance depends on the NIR region used for SNV calculation. To search for an optimal NIR region for baseline correction using SNV, SRSNV employs moving window partial least squares regression (MWPLSR), and an optimal NIR region is identified based on the root mean square error (RMSE) of cross-validation of the partial least squares regression (PLSR) models with the first latent variable (LV). The performance of SRSNV was evaluated using diffuse reflection NIR spectra of mixture samples consisting of wheat flour and granular glucose (0-100% glucose at 5% intervals). From the obtained NIR spectra of the mixture in the 10 000-4000 cm(-1) region at 4 cm intervals (1501 spectral channels), a series of spectral windows consisting of 80 spectral channels was constructed, and then SNV spectra were calculated for each spectral window. Using these SNV spectra, a series of PLSR models with the first LV for glucose concentration was built. A plot of RMSE versus the spectral window position obtained using the PLSR models revealed that the 8680–8364 cm(-1) region was optimal for baseline correction using SNV. In the SNV spectra calculated using the 8680–8364 cm(-1) region (SRSNV spectra), a remarkable relative intensity change between a band due to wheat flour at 8500 cm(-1) and that due to glucose at 8364 cm(-1) was observed owing to successful baseline correction using SNV. A PLSR model with the first LV based on the SRSNV spectra yielded a determination coefficient (R2) of 0.999 and an RMSE of 0.70%, while a PLSR model with three LVs based on SNV spectra calculated in the full spectral region gave an R2 of 0.995 and an RMSE of 2.29%. Additional evaluation of SRSNV was carried out using diffuse reflection NIR spectra of marzipan and corn samples, and PLSR models based on SRSNV spectra showed good prediction results. These evaluation results indicate that SRSNV is effective in baseline correction of diffuse reflection NIR spectra and provides regression models with good prediction accuracy.

An ion-selective electrode method for determination of chlorine in geological materials

USGS Publications Warehouse

Aruscavage, P. J.; Campbell, E.Y.

1983-01-01

A method is presented for the determination of chlorine in geological materials, in which a chloride-selective ion electrode is used after decomposition of the sample with hydrofluoric acid and separation of chlorine in a gas-diffusion cell. Data are presented for 30 geological standard materials. The relative standard deviation of the method is estimated to be better than 8% for amounts of chloride of 10 ??g and greater. ?? 1983.

Surface doping with Al in Ba-hexaferrite powders (abstract)

NASA Astrophysics Data System (ADS)

Turilli, G.; Paoluzi, A.; Lucenti, M.

1991-04-01

Barium M-hexaferrites were intensively studied in order to improve their magnetic characteristics for application as permanent magnets using different ion substitutions. However, substitutions that improve the BHmax energy product have not been found. We propose a new method in order to modify the extrinsic magnetic characteristics of Ba-hexaferrite powders without reducing drastically the magnetization and the magnetic anisotropy. This method consists in the surface doping of the hexaferrite particles, giving as a result a modification of the energy pinning of the domain walls at the grain boundary. Ba ferrite powders having a mean diameter of 3.2 μm have been dry mixed with Al2O3 powders with a diameter <0.5 μm. From the mixed powder a series of 10 cylindrically shaped samples was obtained by isostatically pressing the powders. The samples were thermically treated from 900 to 1200 °C, together with 10 cylindrical samples of pure hexaferrite, for 1 h each. For all the samples we have measured the Curie temperature (Tc), the anisotropy field (HA), the coercive field (Hc), and the saturation magnetization σ. The main results are that up to 1000 °C the Al diffusion is mainly localized at the surface of the grain so that the main part of the grain is undoped as confirmed by the Tc and HA values that are the same as those found in pure hexaferrites. From 900 to 1000 °C the saturation magnetization decreases of the 3% while Hc increases of the 9% with respect to the pure hexaferrite. This result seems to confirm the validity of the proposed method. Above 1000 °C Al begin to diffuse in the grain and above 1200 °C it is possible to say, from thermomagnetic analysis, that Al has diffused uniformly throughout the grain. In this last temperature range the Al substitution leads to a 10% reduction in σ as expected1 while Hc only increases 12%. These preliminary results suggest that the method of surface doping of the powders could be used in order to increase or decrease the H values without strongly influencing the σ values.

Effect of carbon ion irradiation on Ag diffusion in SiC

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

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

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

Effect of carbon ion irradiation on Ag diffusion in SiC

DOE PAGES

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

2015-11-14

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

Effects of b-value and number of gradient directions on diffusion MRI measures obtained with Q-ball imaging

NASA Astrophysics Data System (ADS)

Schilling, Kurt G.; Nath, Vishwesh; Blaber, Justin; Harrigan, Robert L.; Ding, Zhaohua; Anderson, Adam W.; Landman, Bennett A.

2017-02-01

High-angular-resolution diffusion-weighted imaging (HARDI) MRI acquisitions have become common for use with higher order models of diffusion. Despite successes in resolving complex fiber configurations and probing microstructural properties of brain tissue, there is no common consensus on the optimal b-value and number of diffusion directions to use for these HARDI methods. While this question has been addressed by analysis of the diffusion-weighted signal directly, it is unclear how this translates to the information and metrics derived from the HARDI models themselves. Using a high angular resolution data set acquired at a range of b-values, and repeated 11 times on a single subject, we study how the b-value and number of diffusion directions impacts the reproducibility and precision of metrics derived from Q-ball imaging, a popular HARDI technique. We find that Q-ball metrics associated with tissue microstructure and white matter fiber orientation are sensitive to both the number of diffusion directions and the spherical harmonic representation of the Q-ball, and often are biased when under sampled. These results can advise researchers on appropriate acquisition and processing schemes, particularly when it comes to optimizing the number of diffusion directions needed for metrics derived from Q-ball imaging.

[Rapid bioluminescent antibiotic susceptibility assay].

PubMed

Frundzhian, V G; Ugarova, N N; Blatun, L A; Terekhova, R P; Rusanova, E V

2009-01-01

Rapid testing of pathogen susceptibility to antibiotics is of great practical value for rational chemotherapy of pyoinflammatory deseases and postoperative complications of microbial etiology. The standard microbiological methods, i.e., the disk diffusion method and the method of serial dilutions are labour- and time-consuming (not less than 18-36 hours). The method of the authors is based on measuring bioluminescence resulting from interaction of adenosine-5'-triphosphate (ATP) and ATP reagent, a standard reaction mixture of firefly luciferase (an enzyme) and luciferin. The bioluminescence intensity is proportional to the ATP concentration in the reaction mixture and the ATP concentration is proportional to the number of the pathogen viable cells in the sample. The bioluminescence intensity value in the pathogen suspension aliquots with and without (control) the antibiotic were compared after the incubation for 5 hours and the coefficient of the microbial cell growth inhibition was calculated. Satisfactory correlation (R2 > 88%) of the results of the bioluminescent assay and the assay with the disk diffusion method and the method of serial dilutions was observed.

Multilayer material characterization using thermographic signal reconstruction

NASA Astrophysics Data System (ADS)

Shepard, Steven M.; Beemer, Maria Frendberg

2016-02-01

Active-thermography has become a well-established Nondestructive Testing (NDT) method for detection of subsurface flaws. In its simplest form, flaw detection is based on visual identification of contrast between a flaw and local intact regions in an IR image sequence of the surface temperature as the sample responds to thermal stimulation. However, additional information and insight can be obtained from the sequence, even in the absence of a flaw, through analysis of the logarithmic derivatives of individual pixel time histories using the Thermographic Signal Reconstruction (TSR) method. For example, the response of a flaw-free multilayer sample to thermal stimulation can be viewed as a simple transition between the responses of infinitely thick samples of the individual constituent layers over the lifetime of the thermal diffusion process. The transition is represented compactly and uniquely by the logarithmic derivatives, based on the ratio of thermal effusivities of the layers. A spectrum of derivative responses relative to thermal effusivity ratios allows prediction of the time scale and detectability of the interface, and measurement of the thermophysical properties of one layer if the properties of the other are known. A similar transition between steady diffusion states occurs for flat bottom holes, based on the hole aspect ratio.

Mutual influence of molecular diffusion in gas and surface phases

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Special report, diffuse reflectivity of the lunar surface

NASA Technical Reports Server (NTRS)

Fastie, W. G.

1972-01-01

The far ultraviolet diffuse reflectivity of samples of lunar dust material is determined. Equipment for measuring the diffuse reflectivity of materials (e.g. paint samples) is already in existence and requires only minor modification for the proposed experiment which will include the measurement of the polarizing properties of the lunar samples. Measurements can be made as a function of both illumination angle and angle of observation.

Crystallization of Membrane Proteins by Vapor Diffusion

PubMed Central

Delmar, Jared A.; Bolla, Jani Reddy; Su, Chih-Chia; Yu, Edward W.

2016-01-01

X-ray crystallography remains the most robust method to determine protein structure at the atomic level. However, the bottlenecks of protein expression and purification often discourage further study. In this chapter, we address the most common problems encountered at these stages. Based on our experiences in expressing and purifying antimicrobial efflux proteins, we explain how a pure and homogenous protein sample can be successfully crystallized by the vapor diffusion method. We present our current protocols and methodologies for this technique. Case studies show step-by-step how we have overcome problems related to expression and diffraction, eventually producing high quality membrane protein crystals for structural determinations. It is our hope that a rational approach can be made of the often anecdotal process of membrane protein crystallization. PMID:25950974

Online sequential Monte Carlo smoother for partially observed diffusion processes

NASA Astrophysics Data System (ADS)

Gloaguen, Pierre; Étienne, Marie-Pierre; Le Corff, Sylvain

2018-12-01

This paper introduces a new algorithm to approximate smoothed additive functionals of partially observed diffusion processes. This method relies on a new sequential Monte Carlo method which allows to compute such approximations online, i.e., as the observations are received, and with a computational complexity growing linearly with the number of Monte Carlo samples. The original algorithm cannot be used in the case of partially observed stochastic differential equations since the transition density of the latent data is usually unknown. We prove that it may be extended to partially observed continuous processes by replacing this unknown quantity by an unbiased estimator obtained for instance using general Poisson estimators. This estimator is proved to be consistent and its performance are illustrated using data from two models.

Effective simulations of gas diffusion through kinetically accessible tunnels in multisubunit proteins: O2 pathways and escape routes in T-state deoxyhemoglobin.

PubMed

Shadrina, Maria S; English, Ann M; Peslherbe, Gilles H

2012-07-11

The diffusion of small gases to special binding sites within polypeptide matrices pivotally defines the biochemical specificity and reactivity of proteins. We investigate here explicit O(2) diffusion in adult human hemoglobin (HbA) as a case study employing the recently developed temperature-controlled locally enhanced sampling (TLES) method and vary the parameters to greatly increase the simulation efficiency. The method is carefully validated against standard molecular dynamics (MD) simulations and available experimental structural and kinetic data on ligand diffusion in T-state deoxyHbA. The methodology provides a viable alternative approach to traditional MD simulations and/or potential of mean force calculations for: (i) characterizing kinetically accessible diffusion tunnels and escape routes for light ligands in porous proteins; (ii) very large systems when realistic simulations require the inclusion of multiple subunits of a protein; and (iii) proteins that access short-lived conformations relative to the simulation time. In the case of T-state deoxyHbA, we find distinct ligand diffusion tunnels consistent with the experimentally observed disparate Xe cavities in the α- and β-subunits. We identify two distal barriers including the distal histidine (E7) that control access to the heme. The multiple escape routes uncovered by our simulations call for a review of the current popular hypothesis on ligand escape from hemoglobin. Larger deviations from the crystal structure during simulated diffusion in isolated α- and β-subunits highlight the dampening effects of subunit interactions and the importance of including all subunits of multisubunit proteins to map realistic kinetically accessible diffusion tunnels and escape routes.

Matrix diffusion coefficients in volcanic rocks at the Nevada test site: influence of matrix porosity, matrix permeability, and fracture coating minerals.

PubMed

Reimus, Paul W; Callahan, Timothy J; Ware, S Doug; Haga, Marc J; Counce, Dale A

2007-08-15

Diffusion cell experiments were conducted to measure nonsorbing solute matrix diffusion coefficients in forty-seven different volcanic rock matrix samples from eight different locations (with multiple depth intervals represented at several locations) at the Nevada Test Site. The solutes used in the experiments included bromide, iodide, pentafluorobenzoate (PFBA), and tritiated water ((3)HHO). The porosity and saturated permeability of most of the diffusion cell samples were measured to evaluate the correlation of these two variables with tracer matrix diffusion coefficients divided by the free-water diffusion coefficient (D(m)/D*). To investigate the influence of fracture coating minerals on matrix diffusion, ten of the diffusion cells represented paired samples from the same depth interval in which one sample contained a fracture surface with mineral coatings and the other sample consisted of only pure matrix. The log of (D(m)/D*) was found to be positively correlated with both the matrix porosity and the log of matrix permeability. A multiple linear regression analysis indicated that both parameters contributed significantly to the regression at the 95% confidence level. However, the log of the matrix diffusion coefficient was more highly-correlated with the log of matrix permeability than with matrix porosity, which suggests that matrix diffusion coefficients, like matrix permeabilities, have a greater dependence on the interconnectedness of matrix porosity than on the matrix porosity itself. The regression equation for the volcanic rocks was found to provide satisfactory predictions of log(D(m)/D*) for other types of rocks with similar ranges of matrix porosity and permeability as the volcanic rocks, but it did a poorer job predicting log(D(m)/D*) for rocks with lower porosities and/or permeabilities. The presence of mineral coatings on fracture walls did not appear to have a significant effect on matrix diffusion in the ten paired diffusion cell experiments.

Matrix diffusion coefficients in volcanic rocks at the Nevada test site: Influence of matrix porosity, matrix permeability, and fracture coating minerals

NASA Astrophysics Data System (ADS)

Reimus, Paul W.; Callahan, Timothy J.; Ware, S. Doug; Haga, Marc J.; Counce, Dale A.

2007-08-01

Diffusion cell experiments were conducted to measure nonsorbing solute matrix diffusion coefficients in forty-seven different volcanic rock matrix samples from eight different locations (with multiple depth intervals represented at several locations) at the Nevada Test Site. The solutes used in the experiments included bromide, iodide, pentafluorobenzoate (PFBA), and tritiated water ( 3HHO). The porosity and saturated permeability of most of the diffusion cell samples were measured to evaluate the correlation of these two variables with tracer matrix diffusion coefficients divided by the free-water diffusion coefficient ( Dm/ D*). To investigate the influence of fracture coating minerals on matrix diffusion, ten of the diffusion cells represented paired samples from the same depth interval in which one sample contained a fracture surface with mineral coatings and the other sample consisted of only pure matrix. The log of ( Dm/ D*) was found to be positively correlated with both the matrix porosity and the log of matrix permeability. A multiple linear regression analysis indicated that both parameters contributed significantly to the regression at the 95% confidence level. However, the log of the matrix diffusion coefficient was more highly-correlated with the log of matrix permeability than with matrix porosity, which suggests that matrix diffusion coefficients, like matrix permeabilities, have a greater dependence on the interconnectedness of matrix porosity than on the matrix porosity itself. The regression equation for the volcanic rocks was found to provide satisfactory predictions of log( Dm/ D*) for other types of rocks with similar ranges of matrix porosity and permeability as the volcanic rocks, but it did a poorer job predicting log( Dm/ D*) for rocks with lower porosities and/or permeabilities. The presence of mineral coatings on fracture walls did not appear to have a significant effect on matrix diffusion in the ten paired diffusion cell experiments.

Bayesian framework for modeling diffusion processes with nonlinear drift based on nonlinear and incomplete observations.

PubMed

Wu, Hao; Noé, Frank

2011-03-01

Diffusion processes are relevant for a variety of phenomena in the natural sciences, including diffusion of cells or biomolecules within cells, diffusion of molecules on a membrane or surface, and diffusion of a molecular conformation within a complex energy landscape. Many experimental tools exist now to track such diffusive motions in single cells or molecules, including high-resolution light microscopy, optical tweezers, fluorescence quenching, and Förster resonance energy transfer (FRET). Experimental observations are most often indirect and incomplete: (1) They do not directly reveal the potential or diffusion constants that govern the diffusion process, (2) they have limited time and space resolution, and (3) the highest-resolution experiments do not track the motion directly but rather probe it stochastically by recording single events, such as photons, whose properties depend on the state of the system under investigation. Here, we propose a general Bayesian framework to model diffusion processes with nonlinear drift based on incomplete observations as generated by various types of experiments. A maximum penalized likelihood estimator is given as well as a Gibbs sampling method that allows to estimate the trajectories that have caused the measurement, the nonlinear drift or potential function and the noise or diffusion matrices, as well as uncertainty estimates of these properties. The approach is illustrated on numerical simulations of FRET experiments where it is shown that trajectories, potentials, and diffusion constants can be efficiently and reliably estimated even in cases with little statistics or nonequilibrium measurement conditions.

A diffusive information preservation method for small Knudsen number flows

NASA Astrophysics Data System (ADS)

Fei, Fei; Fan, Jing

2013-06-01

The direct simulation Monte Carlo (DSMC) method is a powerful particle-based method for modeling gas flows. It works well for relatively large Knudsen (Kn) numbers, typically larger than 0.01, but quickly becomes computationally intensive as Kn decreases due to its time step and cell size limitations. An alternative approach was proposed to relax or remove these limitations, based on replacing pairwise collisions with a stochastic model corresponding to the Fokker-Planck equation [J. Comput. Phys., 229, 1077 (2010); J. Fluid Mech., 680, 574 (2011)]. Similar to the DSMC method, the downside of that approach suffers from computationally statistical noise. To solve the problem, a diffusion-based information preservation (D-IP) method has been developed. The main idea is to track the motion of a simulated molecule from the diffusive standpoint, and obtain the flow velocity and temperature through sampling and averaging the IP quantities. To validate the idea and the corresponding model, several benchmark problems with Kn ˜ 10-3-10-4 have been investigated. It is shown that the IP calculations are not only accurate, but also efficient because they make possible using a time step and cell size over an order of magnitude larger than the mean collision time and mean free path, respectively.

Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics

PubMed Central

Wu, Xiongwu; Damjanovic, Ana; Brooks, Bernard R.

2013-01-01

This review provides a comprehensive description of the self-guided Langevin dynamics (SGLD) and the self-guided molecular dynamics (SGMD) methods and their applications. Example systems are included to provide guidance on optimal application of these methods in simulation studies. SGMD/SGLD has enhanced ability to overcome energy barriers and accelerate rare events to affordable time scales. It has been demonstrated that with moderate parameters, SGLD can routinely cross energy barriers of 20 kT at a rate that molecular dynamics (MD) or Langevin dynamics (LD) crosses 10 kT barriers. The core of these methods is the use of local averages of forces and momenta in a direct manner that can preserve the canonical ensemble. The use of such local averages results in methods where low frequency motion “borrows” energy from high frequency degrees of freedom when a barrier is approached and then returns that excess energy after a barrier is crossed. This self-guiding effect also results in an accelerated diffusion to enhance conformational sampling efficiency. The resulting ensemble with SGLD deviates in a small way from the canonical ensemble, and that deviation can be corrected with either an on-the-fly or a post processing reweighting procedure that provides an excellent canonical ensemble for systems with a limited number of accelerated degrees of freedom. Since reweighting procedures are generally not size extensive, a newer method, SGLDfp, uses local averages of both momenta and forces to preserve the ensemble without reweighting. The SGLDfp approach is size extensive and can be used to accelerate low frequency motion in large systems, or in systems with explicit solvent where solvent diffusion is also to be enhanced. Since these methods are direct and straightforward, they can be used in conjunction with many other sampling methods or free energy methods by simply replacing the integration of degrees of freedom that are normally sampled by MD or LD. PMID:23913991

Antimicrobial activity and rutin identification of honey produced by the stingless bee Melipona compressipes manaosensis and commercial honey

PubMed Central

2013-01-01

Background Honey has been identified as a potential alternative to the widespread use of antibiotics, which are of significant concern considering the emergence of resistant bacteria. In this context, this study aimed to evaluate the antimicrobial activity of honey samples produced by a stingless bee species and by Apis sp. against pathogenic bacteria, as well as to identify the presence of phenolic compounds. Methods Honey samples from the stingless bee M. compressipes manaosensis were collected twice, during the dry and rainy seasons. Three commercial honey samples from Apis sp. were also included in this study. Two different assays were performed to evaluate the antibacterial potential of the honey samples: agar-well diffusion and broth macrodilution. Liquid-liquid extraction was used to assess phenolic compounds from honey. HPLC analysis was performed in order to identify rutin and apigenin on honey samples. Chromatograms were recorded at 340 and 290 nm. Results Two honey samples were identified as having the highest antimicrobial activity using the agar diffusion method. Honey produced by Melipona compressipes manaosensis inhibited the growth of Staphylococcus aureus, Escherichia coli (0157: H7), Proteus vulgaris, Shigella sonnei and Klebsiella sp. A sample of honey produced by Apis sp. also inhibited the growth of Salmonella paratyphi. The macrodilution technique presented greater sensitivity for the antibacterial testing, since all honey samples showed activity. Flavonoid rutin was identified in the honey sample produced by the stingless bee. Conclusions Honey samples tested in this work showed antibacterial activity against Gram-positive and Gram-negative bacteria. The results reported herein highlight the potential of using honey to control bacterial growth. PMID:23815879

Improved Dot Diffusion For Image Halftoning

DTIC Science & Technology

1999-01-01

The dot diffusion method for digital halftoning has the advantage of parallelism unlike the error diffusion method. The method was recently improved...by optimization of the so-called class matrix so that the resulting halftones are comparable to the error diffused halftones . In this paper we will...first review the dot diffusion method. Previously, 82 class matrices were used for dot diffusion method. A problem with this size of class matrix is

Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles

PubMed Central

Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.; Wall, Michael E.; Jackson, Colin J.; Sauter, Nicholas K.; Adams, Paul D.; Urzhumtsev, Alexandre; Fraser, James S.

2015-01-01

Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier’s equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls_as_xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophos­phodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. These methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis. PMID:26249347

Measurement of effective air diffusion coefficients for trichloroethene in undisturbed soil cores.

PubMed

Bartelt-Hunt, Shannon L; Smith, James A

2002-06-01

In this study, we measure effective diffusion coefficients for trichloroethene in undisturbed soil samples taken from Picatinny Arsenal, New Jersey. The measured effective diffusion coefficients ranged from 0.0053 to 0.0609 cm2/s over a range of air-filled porosity of 0.23-0.49. The experimental data were compared to several previously published relations that predict diffusion coefficients as a function of air-filled porosity and porosity. A multiple linear regression analysis was developed to determine if a modification of the exponents in Millington's [Science 130 (1959) 100] relation would better fit the experimental data. The literature relations appeared to generally underpredict the effective diffusion coefficient for the soil cores studied in this work. Inclusion of a particle-size distribution parameter, d10, did not significantly improve the fit of the linear regression equation. The effective diffusion coefficient and porosity data were used to recalculate estimates of diffusive flux through the subsurface made in a previous study performed at the field site. It was determined that the method of calculation used in the previous study resulted in an underprediction of diffusive flux from the subsurface. We conclude that although Millington's [Science 130 (1959) 100] relation works well to predict effective diffusion coefficients in homogeneous soils with relatively uniform particle-size distributions, it may be inaccurate for many natural soils with heterogeneous structure and/or non-uniform particle-size distributions.

Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles

DOE PAGES

Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.; ...

2015-07-28

Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier'smore » equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls_as_xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. In addition, these methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis.« less

A one-way shooting algorithm for transition path sampling of asymmetric barriers

NASA Astrophysics Data System (ADS)

Brotzakis, Z. Faidon; Bolhuis, Peter G.

2016-10-01

We present a novel transition path sampling shooting algorithm for the efficient sampling of complex (biomolecular) activated processes with asymmetric free energy barriers. The method employs a fictitious potential that biases the shooting point toward the transition state. The method is similar in spirit to the aimless shooting technique by Peters and Trout [J. Chem. Phys. 125, 054108 (2006)], but is targeted for use with the one-way shooting approach, which has been shown to be more effective than two-way shooting algorithms in systems dominated by diffusive dynamics. We illustrate the method on a 2D Langevin toy model, the association of two peptides and the initial step in dissociation of a β-lactoglobulin dimer. In all cases we show a significant increase in efficiency.

Are closed landfills free of CH_{4} emissions? A case study of Arico's landfill, Tenerife, Canary Islands

NASA Astrophysics Data System (ADS)

Barrancos, José; Cook, Jenny; Phillips, Victoria; Asensio-Ramos, María; Melián, Gladys; Hernández, Pedro A.; Pérez, Nemesio M.

2016-04-01

Landfills are authentic chemical and biological reactors that introduce in the environment a wide amount of gas pollutants (CO2, CH4, volatile organic compounds, etc.) and leachates. Even after years of being closed, a significant amount of landfill gas could be released to the atmosphere through the surface in a diffuse form, also known as non-controlled emission. The study of the spatial-temporal distribution of diffuse emissions provides information of how a landfill degassing takes place. The main objective of this study was to estimate the diffuse uncontrolled emission of CH4 into the atmosphere from the closed Arico's landfill (0.3 km2) in Tenerife Island, Spain. To do so, a non-controlled biogenic gas emission survey of nearly 450 sampling sites was carried out during August 2015. Surface gas sampling and surface landfill CO2 efflux measurements were carried out at each sampling site by means of a portable non-dispersive infrared spectrophotometer (NDIR) model LICOR Li800 following the accumulation chamber method. Landfill gases, CO2 and CH4, were analyzed using a double channel VARIAN 4900 micro-GC. The CH4 efflux was computed combining CO2 efflux and CH4/CO2 ratio in the landfill's surface gas. To quantify the total CH4 emission, CH4 efflux contour map was constructed using sequential Gaussian simulation (sGs) as interpolation method. The total diffuse CH4 emission was estimated in 2.2 t d-1, with CH4 efflux values ranging from 0-922 mg m-2 d-1. This type of studies provides knowledge of how a landfill degasses and serves to public and private entities to establish effective systems for extraction of biogas. This aims not only to achieve higher levels of controlled gas release from landfills resulting in a higher level of energy production but also will contribute to minimize air pollution caused by them.

Improvements in Technique of NMR Imaging and NMR Diffusion Measurements in the Presence of Background Gradients.

NASA Astrophysics Data System (ADS)

Lian, Jianyu

In this work, modification of the cosine current distribution rf coil, PCOS, has been introduced and tested. The coil produces a very homogeneous rf magnetic field, and it is inexpensive to build and easy to tune for multiple resonance frequency. The geometrical parameters of the coil are optimized to produce the most homogeneous rf field over a large volume. To avoid rf field distortion when the coil length is comparable to a quarter wavelength, a parallel PCOS coil is proposed and discussed. For testing rf coils and correcting B _1 in NMR experiments, a simple, rugged and accurate NMR rf field mapping technique has been developed. The method has been tested and used in 1D, 2D, 3D and in vivo rf mapping experiments. The method has been proven to be very useful in the design of rf coils. To preserve the linear relation between rf output applied on an rf coil and modulating input for an rf modulating -amplifying system of NMR imaging spectrometer, a quadrature feedback loop is employed in an rf modulator with two orthogonal rf channels to correct the amplitude and phase non-linearities caused by the rf components in the rf system. The modulator is very linear over a large range and it can generate an arbitrary rf shape. A diffusion imaging sequence has been developed for measuring and imaging diffusion in the presence of background gradients. Cross terms between the diffusion sensitizing gradients and background gradients or imaging gradients can complicate diffusion measurement and make the interpretation of NMR diffusion data ambiguous, but these have been eliminated in this method. Further, the background gradients has been measured and imaged. A dipole random distribution model has been established to study background magnetic fields Delta B and background magnetic gradients G_0 produced by small particles in a sample when it is in a B_0 field. From this model, the minimum distance that a spin can approach a particle can be determined by measuring and <{bf G}_sp{0 }{2}>. From this model, the particle concentration in a sample can be determined by measuring the lineshape of a free induction decay (fid).

Modified nondestructive colorimetric method to evaluate the variability of oxygen diffusion rate through wine bottle closures.

PubMed

Brotto, Laura; Battistutta, Franco; Tat, Lara; Comuzzo, Piergiorgio; Zironi, Roberto

2010-03-24

Some modifications to a previous nondestructive colorimetric method that permits evaluation of the oxygen diffusion rate through wine closures were proposed. The method is based on the reaction of indigo carmine solution with oxygen and the tristimulus measurement of the consequent color change. Simplified preparation and measurement procedures were set up, allowing the analysis of a large number of samples simultaneously. The method was applied to the evaluation of the variability within the lot of 20 different types of stoppers (synthetic, produced by molding, and natural cork). The closures were tested at a storage temperature of 26 degrees C. With regard to oxygen permeability, the natural cork stopper showed a low homogeneity within the lot, especially during the first month after bottling, whereas the synthetic closure showed a greater steadiness in the performance. The limits of the colorimetric method were also analyzed, and three possible causes of degradation of the indigo carmine solution were identified: oxygen, light, and heat.

Antimicrobial agent-free hybrid cationic starch/sodium alginate polyelectrolyte films for food packaging materials.

PubMed

Şen, Ferhat; Uzunsoy, İrem; Baştürk, Emre; Kahraman, Memet Vezir

2017-08-15

This study aimed to develop polyelectrolyte structured antimicrobial food packaging materials that do not contain any antimicrobial agents. Cationic starch was synthesized and characterized by FT-IR spectroscopy and 1 H NMR spectroscopy. Its nitrogen content was determined by Kjeldahl method. Polyelectrolyte structured antimicrobial food packaging materials were prepared using starch, cationic starch and sodium alginate. Antimicrobial activity of materials was defined by inhibition zone method (disc diffusion method). Thermal stability of samples was evaluated by TGA and DSC. Hydrophobicity of samples was determined by contact angle measurements. Surface morphology of samples was investigated by SEM. Moreover, gel contents of samples were determined. The obtained results prove that produced food packaging materials have good thermal, antimicrobial and surface properties, and they can be used as food packaging material in many industries. Copyright © 2017 Elsevier Ltd. All rights reserved.

Oscillating and pulsed gradient diffusion magnetic resonance microscopy over an extended b-value range: implications for the characterization of tissue microstructure.

PubMed

Portnoy, S; Flint, J J; Blackband, S J; Stanisz, G J

2013-04-01

Oscillating gradient spin-echo (OGSE) pulse sequences have been proposed for acquiring diffusion data with very short diffusion times, which probe tissue structure at the subcellular scale. OGSE sequences are an alternative to pulsed gradient spin echo measurements, which typically probe longer diffusion times due to gradient limitations. In this investigation, a high-strength (6600 G/cm) gradient designed for small-sample microscopy was used to acquire OGSE and pulsed gradient spin echo data in a rat hippocampal specimen at microscopic resolution. Measurements covered a broad range of diffusion times (TDeff = 1.2-15.0 ms), frequencies (ω = 67-1000 Hz), and b-values (b = 0-3.2 ms/μm2). Variations in apparent diffusion coefficient with frequency and diffusion time provided microstructural information at a scale much smaller than the imaging resolution. For a more direct comparison of the techniques, OGSE and pulsed gradient spin echo data were acquired with similar effective diffusion times. Measurements with similar TDeff were consistent at low b-value (b < 1 ms/μm(2) ), but diverged at higher b-values. Experimental observations suggest that the effective diffusion time can be helpful in the interpretation of low b-value OGSE data. However, caution is required at higher b, where enhanced sensitivity to restriction and exchange render the effective diffusion time an unsuitable representation. Oscillating and pulsed gradient diffusion techniques offer unique, complementary information. In combination, the two methods provide a powerful tool for characterizing complex diffusion within biological tissues. Copyright © 2012 Wiley Periodicals, Inc.

Autohesive strength development in polysulfone resin and graphite-polysulfone composites

NASA Technical Reports Server (NTRS)

Howes, Jeremy C.; Loos, Alfred C.

1988-01-01

The effects of bonding temperature and contact time on autohesive strength development in thermoplastic polysulfone resin and graphite-polysulfone composites were investigated. Two test methods were examined to measure autohesion in the neat resin samples. These included an interfacial tension test and a compact tension fracture toughness test. Autohesive strength development in fiber-reinforced composites was measured using a double cantilever beam interlaminar fracture toughness test. The results of the tests were compared with current diffusion theories explaining crack healing and welding of glassy polymers. Discrepancies between the results of the present investigation and the diffusion theories are discussed.

A comparison of two laboratories for the measurement of wood dust using button sampler and diffuse reflection infrared Fourier-transform spectroscopy (DRIFTS).

PubMed

Chirila, Madalina M; Sarkisian, Khachatur; Andrew, Michael E; Kwon, Cheol-Woong; Rando, Roy J; Harper, Martin

2015-04-01

The current measurement method for occupational exposure to wood dust is by gravimetric analysis and is thus non-specific. In this work, diffuse reflection infrared Fourier transform spectroscopy (DRIFTS) for the analysis of only the wood component of dust was further evaluated by analysis of the same samples between two laboratories. Field samples were collected from six wood product factories using 25-mm glass fiber filters with the Button aerosol sampler. Gravimetric mass was determined in one laboratory by weighing the filters before and after aerosol collection. Diffuse reflection mid-infrared spectra were obtained from the wood dust on the filter which is placed on a motorized stage inside the spectrometer. The metric used for the DRIFTS analysis was the intensity of the carbonyl band in cellulose and hemicellulose at ~1735 cm(-1). Calibration curves were constructed separately in both laboratories using the same sets of prepared filters from the inhalable sampling fraction of red oak, southern yellow pine, and western red cedar in the range of 0.125-4 mg of wood dust. Using the same procedure in both laboratories to build the calibration curve and analyze the field samples, 62.3% of the samples measured within 25% of the average result with a mean difference between the laboratories of 18.5%. Some observations are included as to how the calibration and analysis can be improved. In particular, determining the wood type on each sample to allow matching to the most appropriate calibration increases the apparent proportion of wood dust in the sample and this likely provides more realistic DRIFTS results. Published by Oxford University Press on behalf of the British Occupational Hygiene Society 2014.

Widespread Micropollutant Monitoring in the Hudson River Estuary Reveals Spatiotemporal Micropollutant Clusters and Their Sources.

PubMed

Carpenter, Corey M G; Helbling, Damian E

2018-06-05

The objective of this study was to identify sources of micropollutants in the Hudson River Estuary (HRE). We collected 127 grab samples at 17 sites along the HRE over 2 years and screened for up to 200 micropollutants. We quantified 168 of the micropollutants in at least one of the samples. Atrazine, gabapentin, metolachlor, and sucralose were measured in every sample. We used data-driven unsupervised methods to cluster the micropollutants on the basis of their spatiotemporal occurrence and normalized-concentration patterns. Three major clusters of micropollutants were identified: ubiquitous and mixed-use (core micropollutants), sourced from sewage treatment plant outfalls (STP micropollutants), and derived from diffuse upstream sources (diffuse micropollutants). Each of these clusters was further refined into subclusters that were linked to specific sources on the basis of relationships identified through geospatial analysis of watershed features. Evaluation of cumulative loadings of each subcluster revealed that the Mohawk River and Rondout Creek are major contributors of most core micropollutants and STP micropollutants and the upper HRE is a major contributor of diffuse micropollutants. These data provide the first comprehensive evaluation of micropollutants in the HRE and define distinct spatiotemporal micropollutant clusters that are linked to sources and conserved across surface water systems around the world.

A simple and green analytical method for determination of glyphosate in commercial formulations and water by diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

da Silva, Aline Santana; Fernandes, Flávio Cesar Bedatty; Tognolli, João Olímpio; Pezza, Leonardo; Pezza, Helena Redigolo

2011-09-01

This article describes a simple, inexpensive, and environmentally friendly method for the monitoring of glyphosate using diffuse reflectance spectroscopy. The proposed method is based on reflectance measurements of the colored compound produced from the spot test reaction between glyphosate and p-dimethylaminocinnamaldehyde ( p-DAC) in acid medium, using a filter paper as solid support. Experimental designs were used to optimize the analytical conditions. All reflectance measurements were carried out at 495 nm. Under optimal conditions, the glyphosate calibration graphs obtained by plotting the optical density of the reflectance signal (A R) against the concentration were linear in the range 50-500 μg mL -1, with a correlation coefficient of 0.9987. The limit of detection (LOD) for glyphosate was 7.28 μg mL -1. The technique was successfully applied to the direct determination of glyphosate in commercial formulations, as well as in water samples (river water, pure water and mineral drinking water) after a previous clean-up or pre-concentration step. Recoveries were in the ranges 93.2-102.6% and 91.3-102.9% for the commercial formulations and water samples, respectively.

Cloud point extraction and diffuse reflectance-Fourier transform infrared spectroscopic determination of chromium(VI): A probe to adulteration in food stuffs.

PubMed

Tiwari, Swapnil; Deb, Manas Kanti; Sen, Bhupendra K

2017-04-15

A new cloud point extraction (CPE) method for the determination of hexavalent chromium i.e. Cr(VI) in food samples is established with subsequent diffuse reflectance-Fourier transform infrared (DRS-FTIR) analysis. The method demonstrates enrichment of Cr(VI) after its complexation with 1,5-diphenylcarbazide. The reddish-violet complex formed showed λ max at 540nm. Micellar phase separation at cloud point temperature of non-ionic surfactant, Triton X-100 occurred and complex was entrapped in surfactant and analyzed using DRS-FTIR. Under optimized conditions, the limit of detection (LOD) and quantification (LOQ) were 1.22 and 4.02μgmL -1 , respectively. Excellent linearity with correlation coefficient value of 0.94 was found for the concentration range of 1-100μgmL -1 . At 10μgmL -1 the standard deviation for 7 replicate measurements was found to be 0.11μgmL -1 . The method was successfully applied to commercially marketed food stuffs, and good recoveries (81-112%) were obtained by spiking the real samples. Copyright © 2016 Elsevier Ltd. All rights reserved.

A simple and green analytical method for determination of glyphosate in commercial formulations and water by diffuse reflectance spectroscopy.

PubMed

da Silva, Aline Santana; Fernandes, Flávio Cesar Bedatty; Tognolli, João Olímpio; Pezza, Leonardo; Pezza, Helena Redigolo

2011-09-01

This article describes a simple, inexpensive, and environmentally friendly method for the monitoring of glyphosate using diffuse reflectance spectroscopy. The proposed method is based on reflectance measurements of the colored compound produced from the spot test reaction between glyphosate and p-dimethylaminocinnamaldehyde (p-DAC) in acid medium, using a filter paper as solid support. Experimental designs were used to optimize the analytical conditions. All reflectance measurements were carried out at 495 nm. Under optimal conditions, the glyphosate calibration graphs obtained by plotting the optical density of the reflectance signal (AR) against the concentration were linear in the range 50-500 μg mL(-1), with a correlation coefficient of 0.9987. The limit of detection (LOD) for glyphosate was 7.28 μg mL(-1). The technique was successfully applied to the direct determination of glyphosate in commercial formulations, as well as in water samples (river water, pure water and mineral drinking water) after a previous clean-up or pre-concentration step. Recoveries were in the ranges 93.2-102.6% and 91.3-102.9% for the commercial formulations and water samples, respectively. Copyright © 2011 Elsevier B.V. All rights reserved.

Observation of thermally etched grain boundaries with the FIB/TEM technique

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

Palizdar, Y., E-mail: y.palizdar@merc.ac.ir; San Martin, D.; Ward, M.

2013-10-15

Thermal etching is a method which is able to reveal and characterize grain boundaries, twins or dislocation structures and determine parameters such as grain boundary energies, surface diffusivities or study phase transformations in steels, intermetallics or ceramic materials. This method relies on the preferential transfer of matter away from grain boundaries on a polished sample during heating at high temperatures in an inert/vacuum atmosphere. The evaporation/diffusion of atoms at high temperatures results in the formation of grooves at the intersections of the planes of grain/twin boundaries with the polished surface. This work describes how the combined use of Focussed Ionmore » Beam and Transmission Electron Microscopy can be used to characterize not only the grooves and their profile with the surface, but also the grain boundary line below the groove, this method being complementary to the commonly used scanning probe techniques. - Highlights: • Thermally etched low-carbon steel samples have been characterized by FIB/TEM • Grain boundary (GB) lines below the groove have been characterized in this way • Absence of ghost traces and large θ angle suggests that GB are not stationary but mobile • Observations correlate well with previous works and Mullins' investigations [22].« less

Modified Laser Flash Method for Thermal Properties Measurements and the Influence of Heat Convection

NASA Technical Reports Server (NTRS)

Lin, Bochuan; Zhu, Shen; Ban, Heng; Li, Chao; Scripa, Rosalia N.; Su, Ching-Hua; Lehoczky, Sandor L.

2003-01-01

The study examined the effect of natural convection in applying the modified laser flash method to measure thermal properties of semiconductor melts. Common laser flash method uses a laser pulse to heat one side of a thin circular sample and measures the temperature response of the other side. Thermal diffusivity can be calculations based on a heat conduction analysis. For semiconductor melt, the sample is contained in a specially designed quartz cell with optical windows on both sides. When laser heats the vertical melt surface, the resulting natural convection can introduce errors in calculation based on heat conduction model alone. The effect of natural convection was studied by CFD simulations with experimental verification by temperature measurement. The CFD results indicated that natural convection would decrease the time needed for the rear side to reach its peak temperature, and also decrease the peak temperature slightly in our experimental configuration. Using the experimental data, the calculation using only heat conduction model resulted in a thermal diffusivity value is about 7.7% lower than that from the model with natural convection. Specific heat capacity was about the same, and the difference is within 1.6%, regardless of heat transfer models.

Improved backward ray tracing with stochastic sampling

NASA Astrophysics Data System (ADS)

Ryu, Seung Taek; Yoon, Kyung-Hyun

1999-03-01

This paper presents a new technique that enhances the diffuse interreflection with the concepts of backward ray tracing. In this research, we have modeled the diffuse rays with the following conditions. First, as the reflection from the diffuse surfaces occurs in all directions, it is impossible to trace all of the reflected rays. We confined the diffuse rays by sampling the spherical angle out of the reflected rays around the normal vector. Second, the traveled distance of reflected energy from the diffuse surface differs according to the object's property, and has a comparatively short reflection distance. Considering the fact that the rays created on the diffuse surfaces affect relatively small area, it is very inefficient to trace all of the sampled diffused rays. Therefore, we set a fixed distance as the critical distance and all the rays beyond this distance are ignored. The result of this research is that as the improved backward ray tracing can model the illumination effects such as the color bleeding effects, we can replace the radiosity algorithm under the limited environment.

Oxygen-induced high diffusion rate of magnesium dopants in GaN/AlGaN based UV LED heterostructures.

PubMed

Michałowski, Paweł Piotr; Złotnik, Sebastian; Sitek, Jakub; Rosiński, Krzysztof; Rudziński, Mariusz

2018-05-23

Further development of GaN/AlGaN based optoelectronic devices requires optimization of the p-type material growth process. In particular, uncontrolled diffusion of Mg dopants may decrease the performance of a device. Thus it is meaningful to study the behavior of Mg and the origins of its diffusion in detail. In this work we have employed secondary ion mass spectrometry to study the diffusion of magnesium in GaN/AlGaN structures. We show that magnesium has a strong tendency to form Mg-H complexes which immobilize Mg atoms and restrain their diffusion. However, these complexes are not present in samples post-growth annealed in an oxygen atmosphere or Al-rich AlGaN structures which naturally have a high oxygen concentration. In these samples, more Mg atoms are free to diffuse and thus the average diffusion length is considerably larger than for a sample annealed in an inert atmosphere.

Fractal diffusion in high temperature polymer electrolyte fuel cell membranes

NASA Astrophysics Data System (ADS)

Hopfenmüller, Bernhard; Zorn, Reiner; Holderer, Olaf; Ivanova, Oxana; Lehnert, Werner; Lüke, Wiebke; Ehlers, Georg; Jalarvo, Niina; Schneider, Gerald J.; Monkenbusch, Michael; Richter, Dieter

2018-05-01

The performance of fuel cells depends largely on the proton diffusion in the proton conducting membrane, the core of a fuel cell. High temperature polymer electrolyte fuel cells are based on a polymer membrane swollen with phosphoric acid as the electrolyte, where proton conduction takes place. We studied the proton diffusion in such membranes with neutron scattering techniques which are especially sensitive to the proton contribution. Time of flight spectroscopy and backscattering spectroscopy have been combined to cover a broad dynamic range. In order to selectively observe the diffusion of protons potentially contributing to the ion conductivity, two samples were prepared, where in one of the samples the phosphoric acid was used with hydrogen replaced by deuterium. The scattering data from the two samples were subtracted in a suitable way after measurement. Thereby subdiffusive behavior of the proton diffusion has been observed and interpreted in terms of a model of fractal diffusion. For this purpose, a scattering function for fractal diffusion has been developed. The fractal diffusion dimension dw and the Hausdorff dimension df have been determined on the length scales covered in the neutron scattering experiments.

Selective sampling and measurement of Cr (VI) in water with polyquaternary ammonium salt as a binding agent in diffusive gradients in thin-films technique.

PubMed

Chen, Hong; Zhang, Yang-Yang; Zhong, Ke-Li; Guo, Lian-Wen; Gu, Jia-Li; Bo, Le; Zhang, Meng-Han; Li, Jian-Rong

2014-04-30

A diffusive gradients in thin films (DGT) device with polyquaternary ammonium salt (PQAS) as a novel binding agent (PQAS DGT) combined with graphite furnace atomic absorption spectrometry (GFAAS) was developed for the selective sampling and measurement of Cr (VI) in water. The performance of PQAS DGT was independent of pH 3-12 and ionic strength from 1 × 10(-3) to 1 molL(-1). DGT validation experiments showed that Cr (VI) was measured accurately as well as selectively by PQAS DGT, whereas Cr (III) was not determined quantitatively. Compared with diphenylcarbazide spectrophotometric method (DPC), the measurement of Cr (VI) with PQAS DGT was agreement with that of DPC method in the industrial wastewater. PQAS-DGT device had been successfully deployed in local freshwater. The concentrations of Cr (VI) determined by PQAS DGT coupled with GFAAS in Nuer River, Ling River and North Lake were 0.73 ± 0.09 μg L(-1), 0.50 ± 0.07 μg L(-1) and 0.61 ± 0.07 μg L(-1), respectively. The results indicate that PQAS DGT device can be used for the selective sampling and measurement Cr (VI) in water and its detection limit is lower than that of DPC method. Copyright © 2014 Elsevier B.V. All rights reserved.

Understanding the effects of diffusion and relaxation in magnetic resonance imaging using computational modeling

NASA Astrophysics Data System (ADS)

Russell, Greg

The work described in this dissertation was motivated by a desire to better understand the cellular pathology of ischemic stroke. Two of the three bodies of research presented herein address and issue directly related to the investigation of ischemic stroke through the use of diffusion weighted magnetic resonance imaging (DWMRI) methods. The first topic concerns the development of a computationally efficient finite difference method, designed to evaluate the impact of microscopic tissue properties on the formation of DWMRI signal. For the second body of work, the effect of changing the intrinsic diffusion coefficient of a restricted sample on clinical DWMRI experiments is explored. The final body of work, while motivated by the desire to understand stroke, addresses the issue of acquiring large amounts of MRI data well suited for quantitative analysis in reduced scan time. In theory, the method could be used to generate quantitative parametric maps, including those depicting information gleaned through the use of DWMRI methods. Chapter 1 provides an introduction to several topics. A description of the use of DWMRI methods in the study of ischemic stroke is covered. An introduction to the fundamental physical principles at work in MRI is also provided. In this section the means by which magnetization is created in MRI experiments, how MRI signal is induced, as well as the influence of spin-spin and spin-lattice relaxation are discussed. Attention is also given to describing how MRI measurements can be sensitized to diffusion through the use of qualitative and quantitative descriptions of the process. Finally, the reader is given a brief introduction to the use of numerical methods for solving partial differential equations. In Chapters 2, 3 and 4, three related bodies of research are presented in terms of research papers. In Chapter 2, a novel computational method is described. The method reduces the computation resources required to simulate DWMRI experiments. In Chapter 3, a detailed study on how changes in the intrinsic intracellular diffusion coefficient may influence clinical DWMRI experiments is described. In Chapter 4, a novel, non-steady state quantitative MRI method is described.

Density Determination of Metallic Melts from Diffuse X-Ray Scattering

NASA Astrophysics Data System (ADS)

Brauser, N.; Davis, A.; Greenberg, E.; Prakapenka, V. B.; Campbell, A.

2017-12-01

Liquids comprise several important structural components of the deep Earth, for example, the present outer core and a hypothesized magma ocean early in Earth history. However, the physical properties of the constituent materials of these structures at high pressures and temperatures are less well constrained than their crystalline counterparts. Determination of the physical properties of these liquids can inform geophysical models of the composition and structure of the Earth, but methods for studying the physical properties of liquids at high pressure and temperatures are underdeveloped. One proposed method for direct determination of density of a melt requires analysis of the diffuse scattered X-ray signal of the liquid. Among the challenges to applying this technique to high-pressure melts within a laser heated diamond anvil cell are the low signal-to-noise ratio and overlapping diffraction peaks from the crystalline components of the sample assembly interfering with the diffuse scattering from the liquid. Recent advances in instrumentation at synchrotron X-ray sources have made this method more accessible for determination of density of melted material. In this work we present the technique and report the densities of three high-pressure melts of the FCC metals iron, nickel, and gold derived from diffuse scattered X-ray spectra collected from in situ laser-heated diamond anvil cell synchrotron experiments. The results are compared to densities derived from shock wave experiments.

Comparative measurements of ambient atmospheric concentrations of ice nucleating particles using multiple immersion freezing methods and a continuous flow diffusion chamber

NASA Astrophysics Data System (ADS)

DeMott, Paul J.; Hill, Thomas C. J.; Petters, Markus D.; Bertram, Allan K.; Tobo, Yutaka; Mason, Ryan H.; Suski, Kaitlyn J.; McCluskey, Christina S.; Levin, Ezra J. T.; Schill, Gregory P.; Boose, Yvonne; Rauker, Anne Marie; Miller, Anna J.; Zaragoza, Jake; Rocci, Katherine; Rothfuss, Nicholas E.; Taylor, Hans P.; Hader, John D.; Chou, Cedric; Huffman, J. Alex; Pöschl, Ulrich; Prenni, Anthony J.; Kreidenweis, Sonia M.

2017-09-01

A number of new measurement methods for ice nucleating particles (INPs) have been introduced in recent years, and it is important to address how these methods compare. Laboratory comparisons of instruments sampling major INP types are common, but few comparisons have occurred for ambient aerosol measurements exploring the utility, consistency and complementarity of different methods to cover the large dynamic range of INP concentrations that exists in the atmosphere. In this study, we assess the comparability of four offline immersion freezing measurement methods (Colorado State University ice spectrometer, IS; North Carolina State University cold stage, CS; National Institute for Polar Research Cryogenic Refrigerator Applied to Freezing Test, CRAFT; University of British Columbia micro-orifice uniform deposit impactor-droplet freezing technique, MOUDI-DFT) and an online method (continuous flow diffusion chamber, CFDC) used in a manner deemed to promote/maximize immersion freezing, for the detection of INPs in ambient aerosols at different locations and in different sampling scenarios. We also investigated the comparability of different aerosol collection methods used with offline immersion freezing instruments. Excellent agreement between all methods could be obtained for several cases of co-sampling with perfect temporal overlap. Even for sampling periods that were not fully equivalent, the deviations between atmospheric INP number concentrations measured with different methods were mostly less than 1 order of magnitude. In some cases, however, the deviations were larger and not explicable without sampling and measurement artifacts. Overall, the immersion freezing methods seem to effectively capture INPs that activate as single particles in the modestly supercooled temperature regime (> -20 °C), although more comparisons are needed in this temperature regime that is difficult to access with online methods. Relative to the CFDC method, three immersion freezing methods that disperse particles into a bulk liquid (IS, CS, CRAFT) exhibit a positive bias in measured INP number concentrations below -20 °C, increasing with decreasing temperature. This bias was present but much less pronounced for a method that condenses separate water droplets onto limited numbers of particles prior to cooling and freezing (MOUDI-DFT). Potential reasons for the observed differences are discussed, and further investigations proposed to elucidate the role of all factors involved.

Thermal Diffusivity of High-Density Polyethylene Samples of Different Crystallinity Evaluated by Indirect Transmission Photoacoustics

NASA Astrophysics Data System (ADS)

Nesic, M.; Popovic, M.; Rabasovic, M.; Milicevic, D.; Suljovrujic, E.; Markushev, D.; Stojanovic, Z.

2018-02-01

In this work, thermal diffusivity of crystalline high-density polyethylene samples of various thickness, and prepared using different procedures, was evaluated by transmission gas-microphone frequency photoacoustics. The samples' composition analysis and their degree of crystallinity were determined from the wide-angle X-ray diffraction, which confirmed that high-density polyethylene samples, obtained by slow and fast cooling, were equivalent in composition but with different degrees of crystallinity. Structural analysis, performed by differential scanning calorimetry, demonstrated that all of the used samples had different levels of crystallinity, depending not only on the preparing procedure, but also on sample thickness. Therefore, in order to evaluate the samples' thermal diffusivity, it was necessary to modify standard photoacoustic fitting procedures (based on the normalization of photoacoustic amplitude and phase characteristics on two thickness levels) for the interpretation of photoacoustic measurements. The calculated values of thermal diffusivity were in the range of the expected literature values. Besides that, the obtained results indicate the unexpected correlation between the values of thermal diffusivity and thermal conductivity with the degree of crystallinity of the investigated geometrically thin samples. The results indicate the necessity of additional investigation of energy transport in macromolecular systems, as well as the possible employment of the photoacoustic techniques in order to clarify its mechanism.

Study of kinetic desorption rate constant in fish muscle and agarose gel model using solid phase microextraction coupled with liquid chromatography with tandem mass spectrometry.

PubMed

Togunde, Oluranti Paul; Oakes, Ken; Servos, Mark; Pawliszyn, Janusz

2012-09-12

This study aims to use solid phase microextraction (SPME), a simple tool to investigate diffusion rate (time) constant of selected pharmaceuticals in gel and fish muscle by comparing desorption rate of diffusion of the drugs in both agarose gel prepared with phosphate-buffered saline (PBS; pH 7.4) and fish muscle. The gel concentration (agarose gel model) that could be used to simulate tissue matrix (fish muscle) for free diffusion of drugs under in vitro and in vivo conditions was determined to model mass transfer phenomena between fibre polymer coating and environmental matrix such that partition coefficients and desorption time constant (diffusion coefficient) can be determined. SPME procedure involves preloading the extraction phase (fibre) with the standards from spiked PBS for 1h via direct extraction. Subsequently, the preloaded fibre is introduced to the sample such fish or agarose gel for specified time ranging from 0.5 to 60 h. Then, fibre is removed at specified time and desorbed in 100 μL of desorption solution (acetonitrile: water 1:1) for 90 min under agitation speed of 1000 rpm. The samples extract were immediately injected to the instrument and analysed using liquid chromatography coupled with tandem mass spectrometry (LC/MS/MS). The limit of detection of the method in gel and fish muscle was 0.01-0.07 ng mL(-1) and 0.07-0.34 ng g(-1), respectively, while the limit quantification was 0.10-0.20 ng mL(-1) in gel samples and 0.40-0.97 ng g(-1) in fish sample. The reproducibility of the method was good (5-15% RSD). The results suggest that kinetics of desorption of the compounds in fish tissue and different viscosity of gel can be determined using desorption time constant. In this study, desorption time constant which is directly related to desorption rate (diffusion kinetics) of selected drugs from the fibre to the gel matrix is faster as the viscosity of the gel matrix reduces from 2% (w/v) to 0.8% (w/v). As the concentration of gel reduces, viscosity of the gel will be reduced therefore allowing faster diffusion which invariably affect desorption time constant. Also, desorption time constant of model drugs in the fish muscle and 0.8-0.9% (w/v) gel model are similar based on free diffusion of studied compounds. In addition, in vitro and in vivo desorption time constant comparison shows that desorption time constant in an in vivo system (live fish muscle) is generally higher than an in vitro system (dead fish muscle) except for sertraline and nordiazepam. This study demonstrates SPME as a simple investigative tool to understand kinetics of desorption in an in vivo system with a goal to measure desorption rate of pharmaceuticals in fish. Copyright © 2011 Elsevier B.V. All rights reserved.

A rate-based transcutaneous CO2 sensor for noninvasive respiration monitoring.

PubMed

Chatterjee, M; Ge, X; Kostov, Y; Luu, P; Tolosa, L; Woo, H; Viscardi, R; Falk, S; Potts, R; Rao, G

2015-05-01

The pain and risk of infection associated with invasive blood sampling for blood gas measurements necessitate the search for reliable noninvasive techniques. In this work we developed a novel rate-based noninvasive method for a safe and fast assessment of respiratory status. A small sampler was built to collect the gases diffusing out of the skin. It was connected to a CO2 sensor through gas-impermeable tubing. During a measurement, the CO2 initially present in the sampler was first removed by purging it with nitrogen. The gases in the system were then recirculated between the sampler and the CO2 sensor, and the CO2 diffusion rate into the sampler was measured. Because the measurement is based on the initial transcutaneous diffusion rate, reaching mass transfer equilibrium and heating the skin is no longer required, thus, making it much faster and safer than traditional method. A series of designed experiments were performed to analyze the effect of the measurement parameters such as sampler size, measurement location, subject positions, and movement. After the factor analysis tests, the prototype was sent to a level IV NICU for clinical trial. The results show that the measured initial rate of increase in CO2 partial pressure is linearly correlated with the corresponding arterial blood gas measurements. The new approach can be used as a trending tool, making frequent blood sampling unnecessary for respiratory status monitoring.

Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations.

PubMed

da Silva, Fabiana E B; Flores, Érico M M; Parisotto, Graciele; Müller, Edson I; Ferrão, Marco F

2016-03-01

An alternative method for the quantification of sulphametoxazole (SMZ) and trimethoprim (TMP) using diffuse reflectance infrared Fourier-transform spectroscopy (DRIFTS) and partial least square regression (PLS) was developed. Interval Partial Least Square (iPLS) and Synergy Partial Least Square (siPLS) were applied to select a spectral range that provided the lowest prediction error in comparison to the full-spectrum model. Fifteen commercial tablet formulations and forty-nine synthetic samples were used. The ranges of concentration considered were 400 to 900 mg g-1SMZ and 80 to 240 mg g-1 TMP. Spectral data were recorded between 600 and 4000 cm-1 with a 4 cm-1 resolution by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS). The proposed procedure was compared to high performance liquid chromatography (HPLC). The results obtained from the root mean square error of prediction (RMSEP), during the validation of the models for samples of sulphamethoxazole (SMZ) and trimethoprim (TMP) using siPLS, demonstrate that this approach is a valid technique for use in quantitative analysis of pharmaceutical formulations. The selected interval algorithm allowed building regression models with minor errors when compared to the full spectrum PLS model. A RMSEP of 13.03 mg g-1for SMZ and 4.88 mg g-1 for TMP was obtained after the selection the best spectral regions by siPLS.

MR diffusion histology and micro-tractography reveal mesoscale features of the human cerebellum.

PubMed

Dell'Acqua, Flavio; Bodi, Istvan; Slater, David; Catani, Marco; Modo, Michel

2013-12-01

After 140 years from the discovery of Golgi's black reaction, the study of connectivity of the cerebellum remains a fascinating yet challenging task. Current histological techniques provide powerful methods for unravelling local axonal architecture, but the relatively low volume of data that can be acquired in a reasonable amount of time limits their application to small samples. State-of-the-art in vivo magnetic resonance imaging (MRI) methods, such as diffusion tractography techniques, can reveal trajectories of the major white matter pathways, but their correspondence with underlying anatomy is yet to be established. Hence, a significant gap exists between these two approaches as neither of them can adequately describe the three-dimensional complexity of fibre architecture at the level of the mesoscale (from a few millimetres to micrometres). In this study, we report the application of MR diffusion histology and micro-tractography methods to reveal the combined cytoarchitectural organisation and connectivity of the human cerebellum at a resolution of 100-μm (2 nl/voxel volume). Results show that the diffusion characteristics for each layer of the cerebellar cortex correctly reflect the known cellular composition and its architectural pattern. Micro-tractography also reveals details of the axonal connectivity of individual cerebellar folia and the intra-cortical organisation of the different cerebellar layers. The direct correspondence between MR diffusion histology and micro-tractography with immunohistochemistry indicates that these approaches have the potential to complement traditional histology techniques by providing a non-destructive, quantitative and three-dimensional description of the microstructural organisation of the healthy and pathological tissue.

Photoactivatable fluorescent probes reveal heterogeneous nanoparticle permeation through biological gels at multiple scales

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

Schuster, Benjamin S.; Allan, Daniel B.; Kays, Joshua C.

Diffusion through biological gels is crucial for effective drug delivery using nanoparticles. Here, we demonstrate a new method to measure diffusivity over a large range of length scales – from tens of nanometers to tens of micrometers – using photoactivatable fluorescent nanoparticle probes. We have applied this method to investigate the length-scale dependent mobility of nanoparticles in fibrin gels and in sputum from patients with cystic fibrosis (CF). Nanoparticles composed of poly(lactic-co-glycolic acid), with polyethylene glycol coatings to resist bioadhesion, were internally labeled with caged rhodamine to make the particles photoactivatable. We activated particles within a region of sample usingmore » brief, targeted exposure to UV light, uncaging the rhodamine and causing the particles in that region to become fluorescent. We imaged the subsequent spatiotemporal evolution in fluorescence intensity and observed the collective particle diffusion over tens of minutes and tens of micrometers. We also performed complementary multiple particle tracking experiments on the same particles, extending significantly the range over which particle motion and its heterogeneity can be observed. In fibrin gels, both methods showed an immobile fraction of particles and a mobile fraction that diffused over all measured length scales. In the CF sputum, particle diffusion was spatially heterogeneous and locally anisotropic but nevertheless typically led to unbounded transport extending tens of micrometers within tens of minutes. Lastly, these findings provide insight into the mesoscale architecture of these gels and its role in setting their permeability on physiologically relevant length scales, pointing toward strategies for improving nanoparticle drug delivery.« less

Photoactivatable fluorescent probes reveal heterogeneous nanoparticle permeation through biological gels at multiple scales

DOE PAGES

Schuster, Benjamin S.; Allan, Daniel B.; Kays, Joshua C.; ...

2017-05-31

Diffusion through biological gels is crucial for effective drug delivery using nanoparticles. Here, we demonstrate a new method to measure diffusivity over a large range of length scales – from tens of nanometers to tens of micrometers – using photoactivatable fluorescent nanoparticle probes. We have applied this method to investigate the length-scale dependent mobility of nanoparticles in fibrin gels and in sputum from patients with cystic fibrosis (CF). Nanoparticles composed of poly(lactic-co-glycolic acid), with polyethylene glycol coatings to resist bioadhesion, were internally labeled with caged rhodamine to make the particles photoactivatable. We activated particles within a region of sample usingmore » brief, targeted exposure to UV light, uncaging the rhodamine and causing the particles in that region to become fluorescent. We imaged the subsequent spatiotemporal evolution in fluorescence intensity and observed the collective particle diffusion over tens of minutes and tens of micrometers. We also performed complementary multiple particle tracking experiments on the same particles, extending significantly the range over which particle motion and its heterogeneity can be observed. In fibrin gels, both methods showed an immobile fraction of particles and a mobile fraction that diffused over all measured length scales. In the CF sputum, particle diffusion was spatially heterogeneous and locally anisotropic but nevertheless typically led to unbounded transport extending tens of micrometers within tens of minutes. Lastly, these findings provide insight into the mesoscale architecture of these gels and its role in setting their permeability on physiologically relevant length scales, pointing toward strategies for improving nanoparticle drug delivery.« less

A Two-Stage Method to Determine Optimal Product Sampling considering Dynamic Potential Market

PubMed Central

Hu, Zhineng; Lu, Wei; Han, Bing

2015-01-01

This paper develops an optimization model for the diffusion effects of free samples under dynamic changes in potential market based on the characteristics of independent product and presents a two-stage method to figure out the sampling level. The impact analysis of the key factors on the sampling level shows that the increase of the external coefficient or internal coefficient has a negative influence on the sampling level. And the changing rate of the potential market has no significant influence on the sampling level whereas the repeat purchase has a positive one. Using logistic analysis and regression analysis, the global sensitivity analysis gives a whole analysis of the interaction of all parameters, which provides a two-stage method to estimate the impact of the relevant parameters in the case of inaccuracy of the parameters and to be able to construct a 95% confidence interval for the predicted sampling level. Finally, the paper provides the operational steps to improve the accuracy of the parameter estimation and an innovational way to estimate the sampling level. PMID:25821847

Inter-diffusion of copper and hafnium as studied by x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Pearson, Justin; Chourasia, A. R.

The Cu/Hf interface has been characterized by x-ray photoelectron spectroscopy. Thin films (thicknesses ranging from 100 nm to 150 nm) of hafnium were deposited on a silicon substrate. About 80 nm of copper was then deposited on such samples. The e-beam method was used for the deposition. The samples were annealed for 30 min at temperatures of 100, 200, 300, 400, and 500°C. The inter-diffusion of copper and hafnium was investigated by sequential sputter depth profiling and x-ray photoelectron spectroscopy. The interdiffusion in each case was analyzed by the Matano-Boltzmann's procedure using the Fick's second law. The interdiffusion coefficients and the width of the interface as determined from the data have been correlated with the annealing temperature. Supported by Organized Research, TAMU-Commerce.

Homogeneous Diffusion Solid Model as a Realistic Approach to Describe Adsorption onto Materials with Different Geometries.

PubMed

Sabio, E; Zamora, F; González-García, C M; Ledesma, B; Álvarez-Murillo, A; Román, S

2016-12-01

In this work, the adsorption kinetics of p-nitrophenol (PNP) onto several commercial activated carbons (ACs) with different textural and geometrical characteristics was studied. For this aim, a homogeneous diffusion solid model (HDSM) was used, which does take the adsorbent shape into account. The HDSM was solved by means of the finite element method (FEM) using the commercial software COMSOL. The different kinetic patterns observed in the experiments carried out can be described by the developed model, which shows that the sharp drop of adsorption rate observed in some samples is caused by the formation of a concentration wave. The model allows one to visualize the changes in concentration taking place in both liquid and solid phases, which enables us to link the kinetic behaviour with the main features of the carbon samples.

A stochastic diffusion process for Lochner's generalized Dirichlet distribution

DOE PAGES

Bakosi, J.; Ristorcelli, J. R.

2013-10-01

The method of potential solutions of Fokker-Planck equations is used to develop a transport equation for the joint probability of N stochastic variables with Lochner’s generalized Dirichlet distribution as its asymptotic solution. Individual samples of a discrete ensemble, obtained from the system of stochastic differential equations, equivalent to the Fokker-Planck equation developed here, satisfy a unit-sum constraint at all times and ensure a bounded sample space, similarly to the process developed in for the Dirichlet distribution. Consequently, the generalized Dirichlet diffusion process may be used to represent realizations of a fluctuating ensemble of N variables subject to a conservation principle.more » Compared to the Dirichlet distribution and process, the additional parameters of the generalized Dirichlet distribution allow a more general class of physical processes to be modeled with a more general covariance matrix.« less

Hybrid finite element and Brownian dynamics method for diffusion-controlled reactions.

PubMed

Bauler, Patricia; Huber, Gary A; McCammon, J Andrew

2012-04-28

Diffusion is often the rate determining step in many biological processes. Currently, the two main computational methods for studying diffusion are stochastic methods, such as Brownian dynamics, and continuum methods, such as the finite element method. This paper proposes a new hybrid diffusion method that couples the strengths of each of these two methods. The method is derived for a general multidimensional system, and is presented using a basic test case for 1D linear and radially symmetric diffusion systems.

Influence of Osmotic Drying with an Aqueous Poly(ethylene Glycol) Liquid Desiccant on Alumina Objects Gelcast with Gelatin

DOE PAGES

Hammel, E. C.; Campa, J. A.; Armbrister, C. E.; ...

2017-09-06

Gelcasting and liquid desiccant drying are novel forming and drying methods used to mitigate common issues associated with the fabrication of complex advanced ceramic objects. Here, the molecular weight and osmotic pressure of aqueous poly(ethylene glycol) (PEG) desiccant solutions were simultaneously varied to understand their influence on the net mass loss rates of gelcast alumina samples prepared using gelatin as a gelling agent. Additionally, the amount of PEG diffusion and water diffusion to and from the ceramic samples after 150 min of immersion in the liquid desiccant was correlated to the solution properties as was the final bulk density ofmore » the sintered samples. Furthermore, solutions with high molecular weight and low osmotic pressure resulted in low PEG gain and low water loss, while solutions with low molecular weight and high osmotic pressure resulted in high PEG gain and high water loss. In some cases, more than 40 wt% of the total water per sample was removed through the liquid desiccant drying process.« less

Influence of Osmotic Drying with an Aqueous Poly(ethylene Glycol) Liquid Desiccant on Alumina Objects Gelcast with Gelatin

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

Hammel, E. C.; Campa, J. A.; Armbrister, C. E.

Gelcasting and liquid desiccant drying are novel forming and drying methods used to mitigate common issues associated with the fabrication of complex advanced ceramic objects. Here, the molecular weight and osmotic pressure of aqueous poly(ethylene glycol) (PEG) desiccant solutions were simultaneously varied to understand their influence on the net mass loss rates of gelcast alumina samples prepared using gelatin as a gelling agent. Additionally, the amount of PEG diffusion and water diffusion to and from the ceramic samples after 150 min of immersion in the liquid desiccant was correlated to the solution properties as was the final bulk density ofmore » the sintered samples. Furthermore, solutions with high molecular weight and low osmotic pressure resulted in low PEG gain and low water loss, while solutions with low molecular weight and high osmotic pressure resulted in high PEG gain and high water loss. In some cases, more than 40 wt% of the total water per sample was removed through the liquid desiccant drying process.« less

Diffusion of Molecular Diagnostic Lung Cancer Tests: A Survey of German Oncologists

PubMed Central

Steffen, Julius Alexander

2014-01-01

This study was aimed at examining the diffusion of diagnostic lung cancer tests in Germany. It was motivated by the high potential of detecting and targeting oncogenic drivers. Recognizing that the diffusion of diagnostic tests is a conditio sine qua non for the success of personalized lung cancer therapies, this study analyzed the diffusion of epidermal growth factor receptor (EGFR) and anaplastic lymphoma kinase (ALK) tests in Germany. Qualitative and quantitative research strategies were combined in a mixed-method design. A literature review and subsequent Key Opinion Leader interviews identified a set of qualitative factors driving the diffusion process, which were then translated into an online survey. The survey was conducted among a sample of 961 oncologists (11.34% response rate). The responses were analyzed in a multiple linear regression which identified six statistically significant factors driving the diffusion of molecular diagnostic lung cancer tests: reimbursement, attitude towards R&D, information self-assessment, perceived attitudes of colleagues, age and test-pathway strategies. Besides the important role of adequate reimbursement and relevant guidelines, the results of this study suggest that an increasing usage of test-pathway strategies, especially in an office-based setting, can increase the diffusion of molecular diagnostic lung cancer tests in the future. PMID:25562146

Holographic diffuser by use of a silver halide sensitized gelatin process

NASA Astrophysics Data System (ADS)

Kim, Sun Il; Choi, Yoon Sun; Ham, Yong Nam; Park, Chong Yun; Kim, Jong Man

2003-05-01

Diffusers play an important role in liquid-crystal display (LCD) application as a beam-shaping device, a brightness homogenizer, a light-scattering device, and an imaging screen. The transmittance and diffusing angle of the diffusers are the critical aspects for the applications to the LCD. The holographic diffusers by use of various processing methods have been investigated. The diffusing characteristics of different diffusing materials and processing methods have been evaluated and compared. The micro-structures of holographic diffusers have been investigated by use of using scanning electron microscopy. The holographic diffusers by use of the silver halide sensitized gelatin (SHSG) method have the structural merits for the improvement of the quality of diffusers. The features of holographic diffuser were exceptional in terms of transmittance and diffusing angle. The replication method by use of the SHSG process can be directly used for the manufacturing of diffusers for the display application.

Thermophysical properties of heat-treated U-7Mo/Al dispersion fuel

NASA Astrophysics Data System (ADS)

Cho, Tae Won; Kim, Yeon Soo; Park, Jong Man; Lee, Kyu Hong; Kim, Sunghwan; Lee, Chong Tak; Yang, Jae Ho; Oh, Jang Soo; Sohn, Dong-Seong

2018-04-01

In this study, the effects of interaction layer (IL) on thermophysical properties of U-7Mo/Al dispersion fuel were examined. Microstructural analyses revealed that ILs were formed uniformly on U-Mo particles during heating of U-7Mo/Al samples. The IL volume fraction was measured by applying image analysis methods. The uranium loadings of the samples were calculated based on the measured meat densities at 298 K. The density of the IL was estimated by using the measured density and IL volume fraction. Thermal diffusivity and heat capacity of the samples after the heat treatment were measured as a function of temperature and volume fractions of U-Mo and IL. The thermal conductivity of IL-formed U-7Mo/Al was derived by using the measured thermal diffusivity, heat capacity, and density. The thermal conductivity obtained in the present study was lower than that predicted by the modified Hashin-Shtrikman model due to the theoretical model's inability to consider the thermal resistance at interfaces between the meat constituents.

Genetic algorithms and MCML program for recovery of optical properties of homogeneous turbid media

PubMed Central

Morales Cruzado, Beatriz; y Montiel, Sergio Vázquez; Atencio, José Alberto Delgado

2013-01-01

In this paper, we present and validate a new method for optical properties recovery of turbid media with slab geometry. This method is an iterative method that compares diffuse reflectance and transmittance, measured using integrating spheres, with those obtained using the known algorithm MCML. The search procedure is based in the evolution of a population due to selection of the best individual, i.e., using a genetic algorithm. This new method includes several corrections such as non-linear effects in integrating spheres measurements and loss of light due to the finite size of the sample. As a potential application and proof-of-principle experiment of this new method, we use this new algorithm in the recovery of optical properties of blood samples at different degrees of coagulation. PMID:23504404

Diffusion of volatile organics through porous snow: impact of surface adsorption and grain boundaries

NASA Astrophysics Data System (ADS)

Bartels-Rausch, T.; Wren, S. N.; Schreiber, S.; Riche, F.; Schneebeli, M.; Ammann, M.

2013-07-01

Release of trace gases from surface snow on earth drives atmospheric chemistry, especially in the polar regions. The gas-phase diffusion of methanol and of acetone through the interstitial air of snow was investigated in a well-controlled laboratory study in the temperature range of 223 to 263 K. The aim of this study was to evaluate how the structure of the snowpack, the interaction of the trace gases with the snow surface, and the grain boundaries influence the diffusion on timescales up to 1 h. The diffusive loss of these two volatile organics into packed snow samples was measured using a chemical ionization mass spectrometer. The structure of the snow was analysed by means of X-ray-computed micro-tomography. The observed diffusion profiles could be well described based on gas-phase diffusion and the known structure of the snow sample at temperatures ≥ 253 K. At colder temperatures, surface interactions start to dominate the diffusive transport. Parameterizing these interactions in terms of adsorption to the solid ice surface, i.e. using temperature-dependent air-ice partitioning coefficients, better described the observed diffusion profiles than the use of air-liquid partitioning coefficients. No changes in the diffusive fluxes were observed by increasing the number of grain boundaries in the snow sample by a factor of 7, indicating that for these volatile organic trace gases, uptake into grain boundaries does not play a role on the timescale of diffusion through porous surface snow. For this, a snow sample with an artificially high amount of ice grains was produced and the grain boundary surface measured using thin sections. In conclusion, we have shown that the diffusivity can be predicted when the structure of the snowpack and the partitioning of the trace gas to solid ice is known.

A resilient domain decomposition polynomial chaos solver for uncertain elliptic PDEs

NASA Astrophysics Data System (ADS)

Mycek, Paul; Contreras, Andres; Le Maître, Olivier; Sargsyan, Khachik; Rizzi, Francesco; Morris, Karla; Safta, Cosmin; Debusschere, Bert; Knio, Omar

2017-07-01

A resilient method is developed for the solution of uncertain elliptic PDEs on extreme scale platforms. The method is based on a hybrid domain decomposition, polynomial chaos (PC) framework that is designed to address soft faults. Specifically, parallel and independent solves of multiple deterministic local problems are used to define PC representations of local Dirichlet boundary-to-boundary maps that are used to reconstruct the global solution. A LAD-lasso type regression is developed for this purpose. The performance of the resulting algorithm is tested on an elliptic equation with an uncertain diffusivity field. Different test cases are considered in order to analyze the impacts of correlation structure of the uncertain diffusivity field, the stochastic resolution, as well as the probability of soft faults. In particular, the computations demonstrate that, provided sufficiently many samples are generated, the method effectively overcomes the occurrence of soft faults.

Novel method for minority-carrier mobility measurement using photoconductance decay with chemically passivated and plasma damaged surfaces

NASA Astrophysics Data System (ADS)

Stephens, A. W.; Green, M. A.

1996-10-01

A method for measuring minority-carrier mobility using microwave-detected photoconductance decay without requiring bulk lifetime, estimates is presented. Three different measurements on a single sample yield values for surface recombination velocity, bulk lifetime, and diffusivity. For each measurement the surface conditions of the sample are changed, allowing extraction of different parameters. The usefulness of 0.08 molar ethanol/iodine solution as a means of achieving such good surface passivation is demonstrated. The following procedure was used to achieve high surface recombination. A CF4 plasma surface etch was shown to achieve the same level of surface damage as mechanical abrasion. The advantage of the new method is that it completely eliminates the chance of breaking samples during the abrasion process, which is of particular advantage for thin samples. The new experimental method for minority-carrier mobility measurement is evaluated using carrier lifetime measurements made on a commercially available Leo Giken ``Wafer-τ'' lifetime tester.

Diffusion coefficient of alginate microcapsules used in pancreatic islet transplantation, a method to cure type 1 diabetes

NASA Astrophysics Data System (ADS)

Najdahmadi, Avid; Lakey, Jonathan R. T.; Botvinick, Elliot

2018-02-01

Pancreatic islet transplantation is a promising approach of providing insulin in type 1 diabetes. One strategy to protect islets from the host immune system is encapsulation within a porous biocompatible alginate membrane. This encapsulation provides mechanical support to the cells and allows selective diffusion of oxygen, nutrients and insulin while blocking immunoglobulins. These hydrogels form by diffusion of calcium ions into the polymer network and therefore they are highly sensitive to environmental changes and fluctuations in temperature. We investigated the effects of gel concentration, crosslinking time and ambient conditions on material permeability, volume, and rigidity, all of which may change the immunoisolating characteristics of alginate. To measure diffusion coefficient as a method to capture structural changes we studied the diffusion of fluorescently tagged dextrans of different molecular weight into the midplane of alginate microcapsules, the diffusion coefficient is then calculated by fitting observed fluorescence dynamics to the mathematical solution of 1-D diffusion into a sphere. These measurements were performed after incubation in different conditions as well as after an in vivo experiment in six immunocompetent mice for seven days. Additionally, the changes in gel volume after incubation at different temperatures and environmental conditions as well as changes in compression modulus of alginate gels during crosslinking were investigated. Our result show that increase of polymer concentration and crosslinking time leads to a decrease in volume and increase in compression modulus. Furthermore, we found that samples crosslinked and placed in physiological environment, experience an increase in volume. As expected, these volume changes affect diffusion rates of fluorescent dextrans, where volume expansion is correlated with higher calculated diffusion coefficient. This observation is critical to islet protection since higher permeability due to the expansion in vivo may lead to increased permeability to immunoglobulins. Capsules from the in vivo study showed similar volume expansion and increased permeability, indicating our in vitro assay is a good predictor of volume change in vivo.

Numerical and Experimental Study on the Residual Stresses in the Nitrided Steel

NASA Astrophysics Data System (ADS)

Song, X.; Zhang, Zhi-Qian; Narayanaswamy, S.; Huang, Y. Z.; Zarinejad, M.

2016-09-01

In the present work, residual stresses distribution in the gas nitrided AISI 4140 sample has been studied using finite element (FE) simulation. The nitrogen concentration profile is obtained from the diffusion-controlled compound layer growth model, and nitrogen concentration controls the material volume change through phase transformation and lattice interstitials which results in residual stresses. Such model is validated through residual stress measurement technique—micro-ring-core method, which is applied to the nitriding process to obtain the residual stresses profiles in both the compound and diffusion layer. The numerical and experimental results are in good agreement with each other; they both indicate significant stress variation in the compound layer, which was not captured in previous research works due to the resolution limit of the traditional methods.

Functional Iron Oxide-Silver Hetero-Nanocomposites: Controlled Synthesis and Antibacterial Activity

NASA Astrophysics Data System (ADS)

Trang, Vu Thi; Tam, Le Thi; Van Quy, Nguyen; Huy, Tran Quang; Thuy, Nguyen Thanh; Tri, Doan Quang; Cuong, Nguyen Duy; Tuan, Pham Anh; Van Tuan, Hoang; Le, Anh-Tuan; Phan, Vu Ngoc

2017-06-01

Iron oxide-silver nanocomposites are of great interest for their antibacterial and antifungal activities. We report a two-step synthesis of functional magnetic hetero-nanocomposites of iron oxide nanoparticles and silver nanoparticles (Fe3O4-Ag). Iron oxide nanoparticles were prepared first by a co-precipitation method followed by the deposition of silver nanoparticles via a hydrothermal route. The prepared Fe3O4-Ag hetero-nanocomposites were characterized by x-ray diffraction, transmission electron microscopy, high resolution transmission electron microscopy and vibrating sample magnetometry. Their antibacterial activities were investigated by using paper-disc diffusion and direct-drop diffusion methods. The results indicate that the Fe3O4-Ag hetero-nanocomposites exhibit excellent antibacterial activities against two Gram-negative bacterial strains ( Salmonella enteritidis and Klebsiella pneumoniae).

Grain boundary diffusion studied on nano scale by rim growth experiments with isotopically doped thin films

NASA Astrophysics Data System (ADS)

Milke, R.; Dohmen, R.; Wiedenbeck, M.; Wirth, R.; Abart, R.; Becker, H.-W.

2003-04-01

Grain boundary diffusion studies by the rim growth method in the system MgO(±FeO)-SiO_2 have evolved from measuring rim growth rates to the tracing of chemical components by using isotopically enriched starting materials and SIMS analyses (Milke et al. 2001). We miniaturized this setup for grain boundary diffusion experiments by using pulsed-laser deposited (PLD) thin films (Dohmen et al. 2002). The starting samples consist of polycrystalline layers of pyroxene (en90fs10) and isotopically doped (18O, 29Si) olivine (fo90fa10) with a total thickness <= 1 μm on a polished quartz surface. A first series of experiments was performed at temperatures between 1000 and 1200^oC at fO_2 of 10-10 bar. Resulting layer thickness and chemi-cal composition were measured by Rutherford Back-Scattering (RBS) and TEM using Focused Ion Beam (FIB) preparation methods. O and Si isotope profiles were measured by SIMS depth scanning. The enstatite layers thicken during the annealing experiments with well-defined interfaces by rates for Δx^2 of 700 to 50000 nm^2/h at the chosen conditions. The iso-tope profiles show that Si acts as a slow diffusing component. From the enstatite growth rates a Dgb_Aδ can be calculated, where A is the rate-determining component. This gives a Dgb_Aδ in the range of 10-26 (at 1000^oC) to 10-24 (at 1200^oC) m^3s-1, which is well in accordance with an extrapolation from the data of Fisler et al. (1997) at 1350 to 1450^oC. This indicates that over the entire interval from 1000 to 1450^oC the reaction is controlled by diffusion of the same component and more importantly that mechanisms on the nano scale are the same as on the microscopic scale. The new method has several advantages over previously used techniques. The well-defined layers on nano scale allow one to study rim growth at lower temperatures than before and avoids therefore large extrapolations to natural conditions. The very small amount of isotopically enriched material needed for one sample makes it also economically viable. The samples can be designed with variable chemical composi-tions, e.g. distinct members of the fo-fa and en-fs series. The versatility of the PLD-technique allows one to apply this method to other chemical systems as well. Ref.: Dohmen et al. (2002) Eur J Miner 14: 1155--1168; Milke et al. (2001), Contrib Miner Petrol 142: 15--26; Fisler et al. (1997) Phys Chem Minerals 24: 264--273.

Investigating the Use of a Diffusion Flame to Produce Black Carbon Standards for Thermal- Optical Analysis of Carbonaceous Aerosols

NASA Astrophysics Data System (ADS)

Ortiz Montalvo, D. L.; Kirchstetter, T. W.; Soto-García, L. L.; Mayol-Bracero, O. L.

2006-12-01

Combustion generated particles are a concern to both climate and public health due to their ability to scatter and absorb solar radiation and alter cloud properties, and because they are small enough to be inhaled and deposit in the lungs where they may cause respiratory and other health problems. Specific concern is focused on particles that originate from the combustion of diesel fuel. Diesels particles are composed mainly of carbonaceous material, especially in locations where diesel fuel sulfur is low. These particles are black due to the strongly light absorbing nature of the refractory carbon components, appropriately called black carbon (BC). This research project focuses on the uncertainty in the measurement of BC mass concentration, which is typically determined by analysis of particles collected on a filter using a thermal-optical analysis (TOA) method. Many studies have been conducted to examine the accuracy of the commonly used variations of the TOA method, which vary in their sample heating protocol, carrier gas, and optical measurement. These studies show that BC measurements are inaccurate due to the presence of organic carbon (OC) in the aerosols. OC may co-evolve with BC or char to form BC during analysis, both of which make it difficult to distinguish between the OC and BC in the sample. The goal of this study is to develop the capability of producing standard samples of known amounts of BC, either alone or mixed with other aerosol constituents, and then evaluate which TOA methods accurately determine the BC amount. An inverted diffusion flame of methane and air was used to produce particle samples containing only BC as well as samples of BC mixed with humic acid (HA). Our study found that HA is light absorbing and catalyzes the combustion of BC. It is expected that both of these attributes will challenge the ability of TOA methods in distinguishing between OC and BC, such as the simple two step TOA method which relies solely on temperature to distinguish between OC and BC. These samples were analyzed using two TOA methods to compare the estimates of BC concentration. Future work will focus on the preparation of a variety of BC standards and comparing measurements of the prepared samples using a range of other TOA methods.

Shiga Toxin-Producing Escherichia coli Isolated from Bovine Mastitic Milk: Serogroups, Virulence Factors, and Antibiotic Resistance Properties

PubMed Central

Momtaz, Hassan; Safarpoor Dehkordi, Farhad; Taktaz, Taghi; Rezvani, Amir; Yarali, Sajad

2012-01-01

The aim of this study was to detect the virulence factors, serogroups, and antibiotic resistance properties of Shiga toxin-producing Escherichia coli, by using 268 bovine mastitic milk samples which were diagnosed using California Mastitis Test. After E. coli identification, PCR assays were developed for detection of different virulence genes, serogroups, and antibiotic resistance genes of Escherichia coli. The antibiotic resistance pattern was studied using disk diffusion method. Out of 268 samples, 73 (27.23%) were positive for Escherichia coli, and, out of 73 positive samples, 15 (20.54%) were O26 and 11 (15.06%) were O157 so they were the highest while O111 was not detected in any sample so it was the lowest serogroup. Out of 73 STEC strains, 11 (15.06%) and 36 (49.31%) were EHEC and AEEC, respectively. All of the EHEC strains had stx1, eaeA, and ehly, virulence genes, while in AEEC strains stx1 had the highest prevalence (77.77%), followed by eaeA (55.55%). Totally, aadA1 (65.95%) had the highest while blaSHV (6.38%) had the lowest prevalence of antibiotic resistance genes. The disk diffusion method showed that the STEC strains had the highest resistance to penicillin (100%), followed by tetracycline (57.44%), while resistance to cephalothin (6.38%) was the lowest. PMID:23213293

Extracting Diffusion Constants from Echo-Time-Dependent PFG NMR Data Using Relaxation-Time Information

NASA Astrophysics Data System (ADS)

Vandusschoten, D.; Dejager, P. A.; Vanas, H.

Heterogeneous (bio)systems are often characterized by several water-containing compartments that differ in relaxation time values and diffusion constants. Because of the relatively small differences among these diffusion constants, nonoptimal measuring conditions easily lead to the conclusion that a single diffusion constant suffices to describe the water mobility in a heterogeneous (bio)system. This paper demonstrates that the combination of a T2 measurement and diffusion measurements at various echo times (TE), based on the PFG MSE sequence, enables the accurate determination of diffusion constants which are less than a factor of 2 apart. This new method gives errors of the diffusion constant below 10% when two fractions are present, while the standard approach of a biexponential fit to the diffusion data in identical circumstances gives larger (>25%) errors. On application of this approach to water in apple parenchyma tissue, the diffusion constant of water in the vacuole of the cells ( D = 1.7 × 10 -9 m 2/s) can be distinguished from that of the cytoplasm ( D = 1.0 × 10 -9 m 2/s). Also, for mung bean seedlings, the cell size determined by PFG MSE measurements increased from 65 to 100 μm when the echo time increased from 150 to 900 ms, demonstrating that the interpretation of PFG SE data used to investigate cell sizes is strongly dependent on the T2 values of the fractions within the sample. Because relaxation times are used to discriminate the diffusion constants, we propose to name this approach diffusion analysis by relaxation- time- separated (DARTS) PFG NMR.

Phylogenetic study of metallo-β-lactamase producing multidrug resistant Pseudomonas aeruginosa isolates from burn patients.

PubMed

Jena, Jayanti; Debata, Nagen Kumar; Sahoo, Rajesh Kumar; Subudhi, Enketeswara

2015-12-01

The present study was carried out to understand the clonal relationship using enterobacteriaceae repetitive intergenic consensus polymerase chain reaction (ERIC-PCR) among metallo-β-lactamase (MBL) producing multidrug resistant Pseudomonas aeruginosa isolates from burn victims and their susceptibility to commonly used anti-pseudomonal agents. In the present study 94 non-duplicate P. aeruginosa strains from the wound samples of burn patients were included. Identification of the isolates was done by biochemical methods and antibiotic sensitivity was done by disc diffusion method following CLSI (Clinical Laboratory Standard Institute) guidelines. By using imipenem (IPM)-EDTA disk diffusion/double disc synergy method carbapenem resistant organisms were tested for MBL. To define the clonal relationship ERIC-PCR was used. Of the 94 isolates, 18 (19.14%) were found resistant to IPM and MBL production was shown 11 (11.70%) by the IPM-EDTA disc diffusion method. From dendrogram of the ERIC-PCR profile four major clusters were obtained (A, B, C and D). Cluster B contained the majority of the isolates (6 strains 1, 4, 8, 9, 10 and 11). This study using ERIC-PCR of randomly collected isolates exhibits high genetic diversity which rules out cross contamination frequency. Copyright © 2015 Elsevier Ltd and ISBI. All rights reserved.

C-Depth Method to Determine Diffusion Coefficient and Partition Coefficient of PCB in Building Materials.

PubMed

Liu, Cong; Kolarik, Barbara; Gunnarsen, Lars; Zhang, Yinping

2015-10-20

Polychlorinated biphenyls (PCBs) have been found to be persistent in the environment and possibly harmful. Many buildings are characterized with high PCB concentrations. Knowledge about partitioning between primary sources and building materials is critical for exposure assessment and practical remediation of PCB contamination. This study develops a C-depth method to determine diffusion coefficient (D) and partition coefficient (K), two key parameters governing the partitioning process. For concrete, a primary material studied here, relative standard deviations of results among five data sets are 5%-22% for K and 42-66% for D. Compared with existing methods, C-depth method overcomes the inability to obtain unique estimation for nonlinear regression and does not require assumed correlations for D and K among congeners. Comparison with a more sophisticated two-term approach implies significant uncertainty for D, and smaller uncertainty for K. However, considering uncertainties associated with sampling and chemical analysis, and impact of environmental factors, the results are acceptable for engineering applications. This was supported by good agreement between model prediction and measurement. Sensitivity analysis indicated that effective diffusion distance, contacting time of materials with primary sources, and depth of measured concentrations are critical for determining D, and PCB concentration in primary sources is critical for K.

Local measurement of thermal conductivity and diffusivity.

PubMed

Hurley, David H; Schley, Robert S; Khafizov, Marat; Wendt, Brycen L

2015-12-01

Simultaneous measurement of local thermal diffusivity and conductivity is demonstrated on a range of ceramic samples. This was accomplished by measuring the temperature field spatial profile of samples excited by an amplitude modulated continuous wave laser beam. A thin gold film is applied to the samples to ensure strong optical absorption and to establish a second boundary condition that introduces an expression containing the substrate thermal conductivity. The diffusivity and conductivity are obtained by comparing the measured phase profile of the temperature field to a continuum based model. A sensitivity analysis is used to identify the optimal film thickness for extracting the both substrate conductivity and diffusivity. Proof of principle studies were conducted on a range of samples having thermal properties that are representatives of current and advanced accident tolerant nuclear fuels. It is shown that by including the Kapitza resistance as an additional fitting parameter, the measured conductivity and diffusivity of all the samples considered agreed closely with the literature values. A distinguishing feature of this technique is that it does not require a priori knowledge of the optical spot size which greatly increases measurement reliability and reproducibility.

Intensity-Value Corrections for Integrating Sphere Measurements of Solid Samples Measured Behind Glass

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

Johnson, Timothy J.; Bernacki, Bruce E.; Redding, Rebecca L.

2014-11-01

Accurate and calibrated directional-hemispherical reflectance spectra of solids are important for both in situ and remote sensing. Many solids are in the form of powders or granules and to measure their diffuse reflectance spectra in the laboratory, it is often necessary to place the samples behind a transparent medium such as glass for the ultraviolet (UV), visible, or near-infrared spectral regions. Using both experimental methods and a simple optical model, we demonstrate that glass (fused quartz in our case) leads to artifacts in the reflectance values. We report our observations that the measured reflectance values, for both hemispherical and diffusemore » reflectance, are distorted by the additional reflections arising at the air–quartz and sample–quartz interfaces. The values are dependent on the sample reflectance and are offset in intensity in the hemispherical case, leading to measured values up to ~6% too high for a 2% reflectance surface, ~3.8% too high for 10% reflecting surfaces, approximately correct for 40–60% diffuse-reflecting surfaces, and ~1.5% too low for 99% reflecting Spectralon® surfaces. For the case of diffuse-only reflectance, the measured values are uniformly too low due to the polished glass, with differences of nearly 6% for a 99% reflecting matte surface. The deviations arise from the added reflections from the quartz surfaces, as verified by both theory and experiment, and depend on sphere design. Finally, empirical correction factors were implemented into post-processing software to redress the artifact for hemispherical and diffuse reflectance data across the 300–2300 nm range.« less

“In vitro” antifungal activity of ozonized sunflower oil on yeasts from onychomycosis

PubMed Central

Guerrer, L.V.; Cunha, K. C.; Nogueira, M. C. L.; Cardoso, C. C.; Soares, M. M. C. N.; Almeida, M. T. G.

2012-01-01

The “in vitro” antifungal activity of ozonized sunflower oil (Bioperoxoil®) was tested on 101 samples of yeasts originating from onychomycosis using the disk diffusion method. The oil was efficacious against several clinical fungal strains: Candida parapsilosis, Candida albicans, Trichosporon asahii, Candida tropicalis and Candida guilliermondii. PMID:24031958

A novel passive water sampler for in situ sampling of antibiotics.

PubMed

Chen, Chang-Er; Zhang, Hao; Jones, Kevin C

2012-05-01

Passive water sampling has several advantages over active methods; it provides time-integrated data, can save on time and cost compared to active methods, and yield high spatial resolution data through co-deployment of simple, cheap units. However, one problem with many sampler designs in current use is that their uptake rates for trace substances of interest are flow-rate dependent, thereby requiring calibration data and other information to enable water concentrations to be derived from the mass per sampler. However, the 'family' of samplers employing the principle of diffusive gradients in thin films (DGT) provides an in situ means of quantitatively measuring labile species in aquatic systems without field calibration. So far, this technique has only been tested and applied in inorganic substances: metals, radionuclides, nutrients, etc. Design and applications of DGT to trace organic contaminants ('o-DGT') would be of widespread interest. This study describes the laboratory testing and performance characteristics of o-DGT, with the antibiotic sulfamethoxazole (SMX) as a model compound and XAD18 as the novel binding agent. o-DGT uptake of SMX increased with time and decreased with diffusion layer thickness, confirming the principle for SMX. XAD18 showed sufficiently high capacity for SMX for routine field applications. o-DGT measurement of SMX was independent of pH (6-9) and ionic strength (0.001-0.1 M) and not affected by flow rate once above static conditions. The diffusion coefficient of SMX in the sampler was measured using an independent diffusion cell and information is presented to allow temperature correction and derivation of aqueous concentrations from deployed samplers. The potential use of o-DGT for in situ measurement of pharmaceutical antibiotics is confirmed by this study and applications are briefly discussed.

Is Vancomycine Still a Choice for Chronic Osteomyelitis Empirical Therapy in Iran?

PubMed Central

Izadi, Morteza; Zamani, Mohammad Mahdi; Mousavi, Seyed Ahmad; Sadat, Seyed Mir Mostafa; Siami, Zeinab; Vais Ahmadi, Noushin; Jonaidi Jafari, Nematollah; Shirvani, Shahram; Majidi Fard, Mojgan; Imani Fooladi, Abbas Ali

2012-01-01

Background Pyogenic bacteria and especially Staphylococcus aurous (S. aurous) are the most common cause of chronic osteomyelitis. Not only treatment protocol of chronic osteomyelitis occasionally is amiss but also this malady responds to treatment difficultly. Objectives This study investigates antibiotic resistance pattern of S. aurous isolated from Iranian patients who suffer from chronic osteomyelitis by two methods: disk diffusion (Kirby bauyer) and E-test (Epsilometer test) to find Vancomycin susceptibility and MIC (Minimum inhibitory concentration). Patients and Methods One hundred and thirty one patients who suffer from chronic osteomyelitis which have been referred to both governmental and private hospitals at 2010 were tried out for culturing of osteomyelitis site (sites). Antibiotic susceptibility and MIC of isolated bacteria were investigated by Kirby bauyer and E-test respectively. Results Samples were collected from bone (73.4%), surrounding tissue (14.6%) and wound discharge (12%). S. aureus was isolated from 49.6% of the samples. According to disc diffusion, methicillin resistance S. aureus (MRSA) was 75% and Vancomycin resistance S. aurous (VRSA) was 0% and based on MIC, MRSA was 68.5% and VRSA was 0%. According to MIC experiments, maximum sensitivity was against to Vancomycin (90.2%) and ciprofloxacin (54.4%) respectively but based on disc diffusion, maximum sensitivity was against to Vancomycin (97.7%) and ciprofloxacin (43.2%), respectively (P = 0.001). E-test (9.8%) in comparison with Disc diffusion (2.3%) showed higher percent of intermediate susceptibility to Vancomycin (P = 0.017). Conclusions Comparison of antibiograms and MICs showed that Kirby bauyer technique especially for detection of VISA strains is not reliable comparison with E-test. Already VRSA strains have not detected in Iranian chronic osteomyelitis, Thus Vancomycin is the first choice for chronic osteomyelitis empirical therapy in Iran yet. PMID:23483042

Semi-supervised learning for photometric supernova classification

NASA Astrophysics Data System (ADS)

Richards, Joseph W.; Homrighausen, Darren; Freeman, Peter E.; Schafer, Chad M.; Poznanski, Dovi

2012-01-01

We present a semi-supervised method for photometric supernova typing. Our approach is to first use the non-linear dimension reduction technique diffusion map to detect structure in a data base of supernova light curves and subsequently employ random forest classification on a spectroscopically confirmed training set to learn a model that can predict the type of each newly observed supernova. We demonstrate that this is an effective method for supernova typing. As supernova numbers increase, our semi-supervised method efficiently utilizes this information to improve classification, a property not enjoyed by template-based methods. Applied to supernova data simulated by Kessler et al. to mimic those of the Dark Energy Survey, our methods achieve (cross-validated) 95 per cent Type Ia purity and 87 per cent Type Ia efficiency on the spectroscopic sample, but only 50 per cent Type Ia purity and 50 per cent efficiency on the photometric sample due to their spectroscopic follow-up strategy. To improve the performance on the photometric sample, we search for better spectroscopic follow-up procedures by studying the sensitivity of our machine-learned supernova classification on the specific strategy used to obtain training sets. With a fixed amount of spectroscopic follow-up time, we find that, despite collecting data on a smaller number of supernovae, deeper magnitude-limited spectroscopic surveys are better for producing training sets. For supernova Ia (II-P) typing, we obtain a 44 per cent (1 per cent) increase in purity to 72 per cent (87 per cent) and 30 per cent (162 per cent) increase in efficiency to 65 per cent (84 per cent) of the sample using a 25th (24.5th) magnitude-limited survey instead of the shallower spectroscopic sample used in the original simulations. When redshift information is available, we incorporate it into our analysis using a novel method of altering the diffusion map representation of the supernovae. Incorporating host redshifts leads to a 5 per cent improvement in Type Ia purity and 13 per cent improvement in Type Ia efficiency. A web service for the supernova classification method used in this paper can be found at .

Greedy algorithms for diffuse optical tomography reconstruction

NASA Astrophysics Data System (ADS)

Dileep, B. P. V.; Das, Tapan; Dutta, Pranab K.

2018-03-01

Diffuse optical tomography (DOT) is a noninvasive imaging modality that reconstructs the optical parameters of a highly scattering medium. However, the inverse problem of DOT is ill-posed and highly nonlinear due to the zig-zag propagation of photons that diffuses through the cross section of tissue. The conventional DOT imaging methods iteratively compute the solution of forward diffusion equation solver which makes the problem computationally expensive. Also, these methods fail when the geometry is complex. Recently, the theory of compressive sensing (CS) has received considerable attention because of its efficient use in biomedical imaging applications. The objective of this paper is to solve a given DOT inverse problem by using compressive sensing framework and various Greedy algorithms such as orthogonal matching pursuit (OMP), compressive sampling matching pursuit (CoSaMP), and stagewise orthogonal matching pursuit (StOMP), regularized orthogonal matching pursuit (ROMP) and simultaneous orthogonal matching pursuit (S-OMP) have been studied to reconstruct the change in the absorption parameter i.e, Δα from the boundary data. Also, the Greedy algorithms have been validated experimentally on a paraffin wax rectangular phantom through a well designed experimental set up. We also have studied the conventional DOT methods like least square method and truncated singular value decomposition (TSVD) for comparison. One of the main features of this work is the usage of less number of source-detector pairs, which can facilitate the use of DOT in routine applications of screening. The performance metrics such as mean square error (MSE), normalized mean square error (NMSE), structural similarity index (SSIM), and peak signal to noise ratio (PSNR) have been used to evaluate the performance of the algorithms mentioned in this paper. Extensive simulation results confirm that CS based DOT reconstruction outperforms the conventional DOT imaging methods in terms of computational efficiency. The main advantage of this study is that the forward diffusion equation solver need not be repeatedly solved.

Obtaining the Bidirectional Transfer Distribution Function ofIsotropically Scattering Materials Using an Integrating Sphere

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

Jonsson, Jacob C.; Branden, Henrik

2006-10-19

This paper demonstrates a method to determine thebidirectional transfer distribution function (BTDF) using an integratingsphere. Information about the sample's angle dependent scattering isobtained by making transmittance measurements with the sample atdifferent distances from the integrating sphere. Knowledge about theilluminated area of the sample and the geometry of the sphere port incombination with the measured data combines to an system of equationsthat includes the angle dependent transmittance. The resulting system ofequations is an ill-posed problem which rarely gives a physical solution.A solvable system is obtained by using Tikhonov regularization on theill-posed problem. The solution to this system can then be usedmore » to obtainthe BTDF. Four bulk-scattering samples were characterised using both twogoniophotometers and the described method to verify the validity of thenew method. The agreement shown is great for the more diffuse samples.The solution to the low-scattering samples contains unphysicaloscillations, butstill gives the correct shape of the solution. Theorigin of the oscillations and why they are more prominent inlow-scattering samples are discussed.« less

Method for monitoring stack gases for uranium activity

DOEpatents

Beverly, C.R.; Ernstberger, E.G.

1985-07-03

A method for monitoring the stack gases of a purge cascade of gaseous diffusion plant for uranium activity. A sample stream is taken from the stack gases and contacted with a volume of moisture-laden air for converting trace levels of uranium hexafluoride, if any, in the stack gases into particulate uranyl fluoride. A continuous strip of filter paper from a supply roll is passed through this sampling stream to intercept and gather any uranyl fluoride in the sampling stream. This filter paper is then passed by an alpha scintillation counting device where any radioactivity on the filter paper is sensed so as to provide a continuous monitoring of the gas stream for activity indicative of the uranium content in the stack gases. 1 fig.

Method for monitoring stack gases for uranium activity

DOEpatents

Beverly, Claude R.; Ernstberger, Harold G.

1988-01-01

A method for monitoring the stack gases of a purge cascade of a gaseous diffusion plant for uranium activity. A sample stream is taken from the stack gases and contacted with a volume of moisture-laden air for converting trace levels of uranium hexafluoride, if any, in the stack gases into particulate uranyl fluoride. A continuous strip of filter paper from a supply roll is passed through this sampling stream to intercept and gather any uranyl fluoride in the sampling stream. This filter paper is then passed by an alpha scintillation counting device where any radioactivity on the filter paper is sensed so as to provide a continuous monitoring of the gas stream for activity indicative of the uranium content in the stack gases.

New methodology for the thermal characterization of thermoelectric liquids

NASA Astrophysics Data System (ADS)

Touati, Karim; Depriester, Michael; Kuriakose, Maju; Hadj Sahraoui, Abdelhak

2015-09-01

A new and accurate method for the thermal characterization of thermoelectric liquids is proposed. The experiment is based on a self-generated voltage due to the Seebeck effect. This voltage is provided by the sample when one of its two faces is thermally excited using a modulated laser. The sample used is tetradodecylammonium nitrate salt/1-octanol mixture, with high Seebeck coefficient. The thermal properties of the used sample (thermal diffusivity, effusivity, and conductivity) are found and compared to those obtained by other photothermal techniques. In addition to this, a study of the electrolyte thermal parameters with the variation of tetradodecylammonium nitrate concentration was also carried out. This new method is promising due to its accuracy and its simplicity.

[Research on NIR equivalent spectral measurement].

PubMed

Wang, Zhi-Hong; Liu, Jie; Sun, Yu-Yang; Teng, Fei; Lin, Jun

2013-04-01

When the spectra of the diffuse reflectance of low reflectivity samples or the transmittance of low transmisivity samples are measured by a portable near infrared (NIR) spectrometer, because there is the noise of the spectrometer, the smaller the reflectance or transmittance of the sample, the lower its SNR. Even if treated by denoise methods, the spectra can not meet the requirement of NIR analysis. So the equivalent spectrum measure method was researched. Based on the intensity of the reflected or transmitted signal by the sample under the traditional measure conditions, the light current of the spectrometer was enlarged, and then the signal of the measured sample increased; the reflected or transmitted light of the measure reference was reduced to avoid the signal of the measure reference over range. Moreover the equivalent spectrum of the sample was calculated in order to make it identical with the spectrum measured by traditional method. Thus the NIR spectral SNR was improved. The results of theory analysis and experiments show that if the light signal of the spectrometer was properly increased according to the reflected or transmitted signal of the low reflectivity or transmisivity sample, the equivalent spectrum was the same as the spectrum measured by traditional method and its SNR was improved.

Characterization of the olfactory impact around a wastewater treatment plant: optimization and validation of a hydrogen sulfide determination procedure based on passive diffusion sampling.

PubMed

Colomer, Fernando Llavador; Espinós-Morató, Héctor; Iglesias, Enrique Mantilla; Pérez, Tatiana Gómez; Campos-Candel, Andreu; Lozano, Caterina Coll

2012-08-01

A monitoring program based on an indirect method was conducted to assess the approximation of the olfactory impact in several wastewater treatment plants (in the present work, only one is shown). The method uses H2S passive sampling using Palmes-type diffusion tubes impregnated with silver nitrate and fluorometric analysis employing fluorescein mercuric acetate. The analytical procedure was validated in the exposure chamber. Exposure periods ofat least 4 days are recommended. The quantification limit of the procedure is 0.61 ppb for a 5-day sampling, which allows the H2S immission (ground concentration) level to be measured within its low odor threshold, from 0.5 to 300 ppb. Experimental results suggest an exposure time greater than 4 days, while recovery efficiency of the procedure, 93.0+/-1.8%, seems not to depend on the amount of H2S collected by the samplers within their application range. The repeatability, expressed as relative standard deviation, is lower than 7%, which is within the limits normally accepted for this type of sampler. Statistical comparison showed that this procedure and the reference method provide analogous accuracy. The proposed procedure was applied in two experimental campaigns, one intensive and the other extensive, and concentrations within the H2S low odor threshold were quantified at each sampling point. From these results, it can be concluded that the procedure shows good potential for monitoring the olfactory impact around facilities where H2S emissions are dominant.

Characterization of the olfactory impact around a wastewater treatment plant: Optimization and validation of a hydrogen sulfide determination procedure based on passive diffusion sampling.

PubMed

Colomer, Fernando Llavador; Espinós-Morató, Héctor; Iglesias, Enrique Mantilla; Pérez, Tatiana Gómez; Campos-Candel, Andreu; Coll Lozano, Caterina

2012-08-01

A monitoring program based on an indirect method was conducted to assess the approximation of the olfactory impact in several wastewater treatment plants (in the present work, only one is shown). The method uses H 2 S passive sampling using Palmes-type diffusion tubes impregnated with silver nitrate and fluorometric analysis employing fluorescein mercuric acetate. The analytical procedure was validated in the exposure chamber. Exposure periods of at least 4 days are recommended. The quantification limit of the procedure is 0.61 ppb for a 5-day sampling, which allows the H 2 S immission (ground concentration) level to be measured within its low odor threshold, from 0.5 to 300 ppb. Experimental results suggest an exposure time greater than 4 days, while recovery efficiency of the procedure, 93.0 ± 1.8%, seems not to depend on the amount of H 2 S collected by the samplers within their application range. The repeatability, expressed as relative standard deviation, is lower than 7%, which is within the limits normally accepted for this type of sampler. Statistical comparison showed that this procedure and the reference method provide analogous accuracy. The proposed procedure was applied in two experimental campaigns, one intensive and the other extensive, and concentrations within the H 2 S low odor threshold were quantified at each sampling point. From these results, it can be concluded that the procedure shows good potential for monitoring the olfactory impact around facilities where H 2 S emissions are dominant. [Box: see text].

Diffusion processes in tumors: A nuclear medicine approach

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

Amaya, Helman, E-mail: haamayae@unal.edu.co

The number of counts used in nuclear medicine imaging techniques, only provides physical information about the desintegration of the nucleus present in the the radiotracer molecules that were uptaken in a particular anatomical region, but that information is not a real metabolic information. For this reason a mathematical method was used to find a correlation between number of counts and {sup 18}F-FDG mass concentration. This correlation allows a better interpretation of the results obtained in the study of diffusive processes in an agar phantom, and based on it, an image from the PETCETIX DICOM sample image set from OsiriX-viewer softwaremore » was processed. PET-CT gradient magnitude and Laplacian images could show direct information on diffusive processes for radiopharmaceuticals that enter into the cells by simple diffusion. In the case of the radiopharmaceutical {sup 18}F-FDG is necessary to include pharmacokinetic models, to make a correct interpretation of the gradient magnitude and Laplacian of counts images.« less

Improved thermal stability of TbF3-coated sintered Nd-Fe-B magnets by electrophoretic deposition

NASA Astrophysics Data System (ADS)

Cao, X. J.; Chen, L.; Guo, S.; Di, J. H.; Ding, G. F.; Chen, R. J.; Yan, A. R.; Chen, K. Z.

2018-05-01

Using electrophoretic deposition (EPD) method, the impact of TbF3 diffusion on the coercivity, microstructure and thermal stability of sintered Nd-Fe-B magnets with different rare earth (RE) content was investigated. In the diffused magnets with the RE content of 34 wt.%, the maximum coercivity about 28.12 kOe with less than 1.44 wt.% Tb was achieved, the coercivity temperature coefficient (β) was improved to -0.50 %/°C from -0.58 %/°C within the temperature interval 25-160 °C, and the maximum operating temperature further increased to about 160 °C. It suggested that TbF3 diffused magnets had much superior thermal stability than the annealed samples. This was attributed to the formation of the Tb-rich (Nd, Tb)2Fe14B phase in the outer region of the matrix grains and the improved Nd-rich grain boundary phase after TbF3 diffusion.

Exploring a potential energy surface by machine learning for characterizing atomic transport

NASA Astrophysics Data System (ADS)

Kanamori, Kenta; Toyoura, Kazuaki; Honda, Junya; Hattori, Kazuki; Seko, Atsuto; Karasuyama, Masayuki; Shitara, Kazuki; Shiga, Motoki; Kuwabara, Akihide; Takeuchi, Ichiro

2018-03-01

We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for atomic transport. The proposed method generates numerous random samples of the entire potential energy surface (PES) from a probabilistic Gaussian process model of the PES, which enables defining the likelihood of the dominant points. The robustness and efficiency of the method are demonstrated on a dozen model cases for proton diffusion in oxides, in comparison with a conventional nudge elastic band method.

A computational kinetic model of diffusion for molecular systems.

PubMed

Teo, Ivan; Schulten, Klaus

2013-09-28

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

Considerations for the independent reaction times and step-by-step methods for radiation chemistry simulations

NASA Astrophysics Data System (ADS)

Plante, Ianik; Devroye, Luc

2017-10-01

Ionizing radiation interacts with the water molecules of the tissues mostly by ionizations and excitations, which result in the formation of the radiation track structure and the creation of radiolytic species such as H.,.OH, H2, H2O2, and e-aq. After their creation, these species diffuse and may chemically react with the neighboring species and with the molecules of the medium. Therefore radiation chemistry is of great importance in radiation biology. As the chemical species are not distributed homogeneously, the use of conventional models of homogeneous reactions cannot completely describe the reaction kinetics of the particles. Actually, many simulations of radiation chemistry are done using the Independent Reaction Time (IRT) method, which is a very fast technique to calculate radiochemical yields but which do not calculate the positions of the radiolytic species as a function of time. Step-by-step (SBS) methods, which are able to provide such information, have been used only sparsely because these are time-consuming in terms of calculation. Recent improvements in computer performance now allow the regular use of the SBS method in radiation chemistry. The SBS and IRT methods are both based on the Green's functions of the diffusion equation (GFDE). In this paper, several sampling algorithms of the GFDE and for the IRT method are presented. We show that the IRT and SBS methods are exactly equivalent for 2-particles systems for diffusion and partially diffusion-controlled reactions between non-interacting particles. We also show that the results obtained with the SBS simulation method with periodic boundary conditions are in agreement with the predictions by classical reaction kinetics theory, which is an important step towards using this method for modelling of biochemical networks and metabolic pathways involved in oxidative stress. Finally, the first simulation results obtained with the code RITRACKS (Relativistic Ion Tracks) are presented.

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.

The relation between statistical power and inference in fMRI

PubMed Central

Wager, Tor D.; Yarkoni, Tal

2017-01-01

Statistically underpowered studies can result in experimental failure even when all other experimental considerations have been addressed impeccably. In fMRI the combination of a large number of dependent variables, a relatively small number of observations (subjects), and a need to correct for multiple comparisons can decrease statistical power dramatically. This problem has been clearly addressed yet remains controversial—especially in regards to the expected effect sizes in fMRI, and especially for between-subjects effects such as group comparisons and brain-behavior correlations. We aimed to clarify the power problem by considering and contrasting two simulated scenarios of such possible brain-behavior correlations: weak diffuse effects and strong localized effects. Sampling from these scenarios shows that, particularly in the weak diffuse scenario, common sample sizes (n = 20–30) display extremely low statistical power, poorly represent the actual effects in the full sample, and show large variation on subsequent replications. Empirical data from the Human Connectome Project resembles the weak diffuse scenario much more than the localized strong scenario, which underscores the extent of the power problem for many studies. Possible solutions to the power problem include increasing the sample size, using less stringent thresholds, or focusing on a region-of-interest. However, these approaches are not always feasible and some have major drawbacks. The most prominent solutions that may help address the power problem include model-based (multivariate) prediction methods and meta-analyses with related synthesis-oriented approaches. PMID:29155843

Method for sampling and analysis of volatile biomarkers in process gas from aerobic digestion of poultry carcasses using time-weighted average SPME and GC-MS.

PubMed

Koziel, Jacek A; Nguyen, Lam T; Glanville, Thomas D; Ahn, Heekwon; Frana, Timothy S; Hans van Leeuwen, J

2017-10-01

A passive sampling method, using retracted solid-phase microextraction (SPME) - gas chromatography-mass spectrometry and time-weighted averaging, was developed and validated for tracking marker volatile organic compounds (VOCs) emitted during aerobic digestion of biohazardous animal tissue. The retracted SPME configuration protects the fragile fiber from buffeting by the process gas stream, and it requires less equipment and is potentially more biosecure than conventional active sampling methods. VOC concentrations predicted via a model based on Fick's first law of diffusion were within 6.6-12.3% of experimentally controlled values after accounting for VOC adsorption to the SPME fiber housing. Method detection limits for five marker VOCs ranged from 0.70 to 8.44ppbv and were statistically equivalent (p>0.05) to those for active sorbent-tube-based sampling. The sampling time of 30min and fiber retraction of 5mm were found to be optimal for the tissue digestion process. Copyright © 2017 Elsevier Ltd. All rights reserved.

Rectification of depth measurement using pulsed thermography with logarithmic peak second derivative method

NASA Astrophysics Data System (ADS)

Li, Xiaoli; Zeng, Zhi; Shen, Jingling; Zhang, Cunlin; Zhao, Yuejin

2018-03-01

Logarithmic peak second derivative (LPSD) method is the most popular method for depth prediction in pulsed thermography. It is widely accepted that this method is independent of defect size. The theoretical model for LPSD method is based on the one-dimensional solution of heat conduction without considering the effect of defect size. When a decay term considering defect aspect ratio is introduced into the solution to correct the three-dimensional thermal diffusion effect, we found that LPSD method is affected by defect size by analytical model. Furthermore, we constructed the relation between the characteristic time of LPSD method and defect aspect ratio, which was verified with the experimental results of stainless steel and glass fiber reinforced plate (GFRP) samples. We also proposed an improved LPSD method for depth prediction when the effect of defect size was considered, and the rectification results of stainless steel and GFRP samples were presented and discussed.

Fractal diffusion in high temperature polymer electrolyte fuel cell membranes

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

Hopfenmuller, Bernhard; Zorn, Reiner; Holderer, Olaf

In this paper, the performance of fuel cells depends largely on the proton diffusion in the proton conducting membrane, the core of a fuel cell. High temperature polymer electrolyte fuel cells are based on a polymer membrane swollen with phosphoric acid as the electrolyte, where proton conduction takes place. We studied the proton diffusion in such membranes with neutron scattering techniques which are especially sensitive to the proton contribution. Time of flight spectroscopy and backscattering spectroscopy have been combined to cover a broad dynamic range. In order to selectively observe the diffusion of protons potentially contributing to the ion conductivity,more » two samples were prepared, where in one of the samples the phosphoric acid was used with hydrogen replaced by deuterium. The scattering data from the two samples were subtracted in a suitable way after measurement. Thereby subdiffusive behavior of the proton diffusion has been observed and interpreted in terms of a model of fractal diffusion. For this purpose, a scattering function for fractal diffusion has been developed. The fractal diffusion dimension d w and the Hausdorff dimension d f have been determined on the length scales covered in the neutron scattering experiments.« less

Fractal diffusion in high temperature polymer electrolyte fuel cell membranes

DOE PAGES

Hopfenmuller, Bernhard; Zorn, Reiner; Holderer, Olaf; ...

2018-05-29

In this paper, the performance of fuel cells depends largely on the proton diffusion in the proton conducting membrane, the core of a fuel cell. High temperature polymer electrolyte fuel cells are based on a polymer membrane swollen with phosphoric acid as the electrolyte, where proton conduction takes place. We studied the proton diffusion in such membranes with neutron scattering techniques which are especially sensitive to the proton contribution. Time of flight spectroscopy and backscattering spectroscopy have been combined to cover a broad dynamic range. In order to selectively observe the diffusion of protons potentially contributing to the ion conductivity,more » two samples were prepared, where in one of the samples the phosphoric acid was used with hydrogen replaced by deuterium. The scattering data from the two samples were subtracted in a suitable way after measurement. Thereby subdiffusive behavior of the proton diffusion has been observed and interpreted in terms of a model of fractal diffusion. For this purpose, a scattering function for fractal diffusion has been developed. The fractal diffusion dimension d w and the Hausdorff dimension d f have been determined on the length scales covered in the neutron scattering experiments.« less

Considerations for sampling inorganic constituents in ground water using diffusion samplers

USGS Publications Warehouse

Vroblesky, D.A.; Petkewich, M.D.; Campbell, T.R.; ,

2002-01-01

Data indicate that nylon-screen and dialysis diffusion samplers are capable of obtaining concentrations of inorganic solutes in ground water from wells that closely correspond to concentrations obtained by low-flow sampling. Conservative solutes, such as chloride, can be sampled by filling the diffusion samplers with oxygenated water. The samplers should be filled with anaerobic water for sampling redoxsensitive solutes. Oxidation of iron within the samplers, either by using aerobic fill water or by in-well oxygenation events, can lead to erroneous iron concentrations. Lithologic and chemical heterogeneity and sampler placement depth can lead to differences between concentrations from diffusion samples and low-flow samples because of mixing during pumping. A disadvantage of regenerated cellulose dialysis samplers is that they can begin to biodegrade within the two weeks of deployment. Nylon-screen samplers buried beneath streambed sediment along the unnamed tributary in a discharge zone of arseniccontaminated ground water were useful in locating the specific discharge zone.

Estimating Arrhenius parameters using temperature programmed molecular dynamics

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

Imandi, Venkataramana; Chatterjee, Abhijit, E-mail: abhijit@che.iitb.ac.in

2016-07-21

Kinetic rates at different temperatures and the associated Arrhenius parameters, whenever Arrhenius law is obeyed, are efficiently estimated by applying maximum likelihood analysis to waiting times collected using the temperature programmed molecular dynamics method. When transitions involving many activated pathways are available in the dataset, their rates may be calculated using the same collection of waiting times. Arrhenius behaviour is ascertained by comparing rates at the sampled temperatures with ones from the Arrhenius expression. Three prototype systems with corrugated energy landscapes, namely, solvated alanine dipeptide, diffusion at the metal-solvent interphase, and lithium diffusion in silicon, are studied to highlight variousmore » aspects of the method. The method becomes particularly appealing when the Arrhenius parameters can be used to find rates at low temperatures where transitions are rare. Systematic coarse-graining of states can further extend the time scales accessible to the method. Good estimates for the rate parameters are obtained with 500-1000 waiting times.« less

NMR investigation of water diffusion in different biofilm structures.

PubMed

Herrling, Maria P; Weisbrodt, Jessica; Kirkland, Catherine M; Williamson, Nathan H; Lackner, Susanne; Codd, Sarah L; Seymour, Joseph D; Guthausen, Gisela; Horn, Harald

2017-12-01

Mass transfer in biofilms is determined by diffusion. Different mostly invasive approaches have been used to measure diffusion coefficients in biofilms, however, data on heterogeneous biomass under realistic conditions is still missing. To non-invasively elucidate fluid-structure interactions in complex multispecies biofilms pulsed field gradient-nuclear magnetic resonance (PFG-NMR) was applied to measure the water diffusion in five different types of biomass aggregates: one type of sludge flocs, two types of biofilm, and two types of granules. Data analysis is an important issue when measuring heterogeneous systems and is shown to significantly influence the interpretation and understanding of water diffusion. With respect to numerical reproducibility and physico-chemical interpretation, different data processing methods were explored: (bi)-exponential data analysis and the Γ distribution model. Furthermore, the diffusion coefficient distribution in relation to relaxation was studied by D-T 2 maps obtained by 2D inverse Laplace transform (2D ILT). The results show that the effective diffusion coefficients for all biofilm samples ranged from 0.36 to 0.96 relative to that of water. NMR diffusion was linked to biofilm structure (e.g., biomass density, organic and inorganic matter) as observed by magnetic resonance imaging and to traditional biofilm parameters: diffusion was most restricted in granules with compact structures, and fast diffusion was found in heterotrophic biofilms with fluffy structures. The effective diffusion coefficients in the biomass were found to be broadly distributed because of internal biomass heterogeneities, such as gas bubbles, precipitates, and locally changing biofilm densities. Thus, estimations based on biofilm bulk properties in multispecies systems can be overestimated and mean diffusion coefficients might not be sufficiently informative to describe mass transport in biofilms and the near bulk. © 2017 Wiley Periodicals, Inc.

Characterization of electrokinetic gating valve in microfluidic channels.

PubMed

Zhang, Guiseng; Du, Wei; Liu, Bi-Feng; Hisamoto, Hideaki; Terabe, Shigeru

2007-02-12

Electrokinetic gating, functioning as a micro-valve, has been widely employed in microfluidic chips for sample injection and flow switch. Investigating its valving performance is fundamentally vital for microfluidics and microfluidics-based chemical analysis. In this paper, electrokinetic gating valve in microchannels was evaluated using optical imaging technique. Microflow profiles at channels junction were examined, revealing that molecular diffusion played a significant role in the valving disable; which could cause analyte leakage in sample injection. Due to diffusion, the analyte crossed the interface of the analyte flow and gating flow, and then formed a cometic tail-like diffusion area at channels junction. From theoretical calculation and some experimental evidences, the size of the area was related to the diffusion coefficient and the velocity of analytes. Additionally, molecular diffusion was also believed to be another reason of sampling bias in gated injection.

A comparison of four porewater sampling methods for metal mixtures and dissolved organic carbon and the implications for sediment toxicity evaluations

USGS Publications Warehouse

Cleveland, Danielle; Brumbaugh, William G.; MacDonald, Donald D.

2017-01-01

Evaluations of sediment quality conditions are commonly conducted using whole-sediment chemistry analyses but can be enhanced by evaluating multiple lines of evidence, including measures of the bioavailable forms of contaminants. In particular, porewater chemistry data provide information that is directly relevant for interpreting sediment toxicity data. Various methods for sampling porewater for trace metals and dissolved organic carbon (DOC), which is an important moderator of metal bioavailability, have been employed. The present study compares the peeper, push point, centrifugation, and diffusive gradients in thin films (DGT) methods for the quantification of 6 metals and DOC. The methods were evaluated at low and high concentrations of metals in 3 sediments having different concentrations of total organic carbon and acid volatile sulfide and different particle-size distributions. At low metal concentrations, centrifugation and push point sampling resulted in up to 100 times higher concentrations of metals and DOC in porewater compared with peepers and DGTs. At elevated metal levels, the measured concentrations were in better agreement among the 4 sampling techniques. The results indicate that there can be marked differences among operationally different porewater sampling methods, and it is unclear if there is a definitive best method for sampling metals and DOC in porewater.

Cs diffusion in SiC high-energy grain boundaries

NASA Astrophysics Data System (ADS)

Ko, Hyunseok; Szlufarska, Izabela; Morgan, Dane

2017-09-01

Cesium (Cs) is a radioactive fission product whose release is of concern for Tristructural-Isotropic fuel particles. In this work, Cs diffusion through high energy grain boundaries (HEGBs) of cubic-SiC is studied using an ab-initio based kinetic Monte Carlo (kMC) model. The HEGB environment was modeled as an amorphous SiC, and Cs defect energies were calculated using the density functional theory (DFT). From defect energies, it was suggested that the fastest diffusion mechanism is the diffusion of Cs interstitial in an amorphous SiC. The diffusion of Cs interstitial was simulated using a kMC model, based on the site and transition state energies sampled from the DFT. The Cs HEGB diffusion exhibited an Arrhenius type diffusion in the range of 1200-1600 °C. The comparison between HEGB results and the other studies suggests not only that the GB diffusion dominates the bulk diffusion but also that the HEGB is one of the fastest grain boundary paths for the Cs diffusion. The diffusion coefficients in HEGB are clearly a few orders of magnitude lower than the reported diffusion coefficients from in- and out-of-pile samples, suggesting that other contributions are responsible, such as radiation enhanced diffusion.

Timescales of ductility in an extensional shear zone recorded as diffusion profiles in deformed quartz

NASA Astrophysics Data System (ADS)

Nachlas, William; Teyssier, Christian; Whitney, Donna

2015-04-01

We document rutile needles that were in the process of exsolving from quartz during ductile shearing, and we apply the Arrhenius parameters for Ti diffusion in quartz to extract the timescales over which diffusion transpired. By constraining temperature conditions of deformation using multiple independent thermometers in the same rocks (Ti-in-quartz, Zr-in-rutile, quartz fabrics and microstructures), we estimate the longevity of a ductile shear zone that accommodated extensional collapse in the North American Cordillera. Eocene exhumation of the Pioneer core complex, Idaho, USA, was accommodated by the brittle-ductile Wildhorse detachment system that localized in a zone of sheared metasediments and juxtaposes lower crustal migmatite gneisses with upper crustal Paleozoic sedimentary units. Deformation in the Wildhorse detachment was partly accommodated within a continuous sequence (~200 m) of quartzite mylonites, wherein quartz grains are densely rutilated with microscopic rutile needles that are pervasively oriented into the lineation direction. We apply high-resolution spectroscopic CL analysis to map the Ti concentration field in quartz surrounding rutile needles, revealing depletion halos that indicate exsolution as Ti unmixes from quartz. Linear transects through depletion halos show that concentration profiles exhibit a characteristic diffusion geometry. We apply an error-function diffusion model to fit the measured profiles to extract the temperature or time recorded in the profile. Assuming modest temperature estimates from our combined thermometry analysis, results of diffusion modeling suggest that the quartzite shear zone was deforming over an integrated 0.8 - 3.1 Myr. If samples are permitted to have deformed in discrete intervals, our results suggest deformation of individual samples for timescales as short as 100 kyr. By comparing samples from different levels of the shear zone, we find that deformation was sustained in higher levels of the shear zone for longer duration than in samples deeper into the footwall, which we interpret to reflect progressive downward propagation of a widening ductile zone. Considering the complex nonlinear feedbacks between the temperature- and time-dependence of both lattice diffusion and work hardening of microstructures, our approach introduces a unique opportunity to link timing with kinematics to reconstruct the thermomechanical evolution of a deforming shear zone. As a parallel test of this method, we have applied it to rock deformation experiments where it reproduces the approximate number of hours over which the experiment was conducted, further exemplifying the validity of this approach for constraining earth events.

Modeling gas displacement kinetics in coal with Maxwell-Stefan diffusion theory

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

Wei, X.R.; Wang, G.X.; Massarotto, P.

2007-12-15

The kinetics of binary gas counter-diffusion and Darcy flow in a large coal sample were modeled, and the results compared with data from experimental laboratory investigations. The study aimed for a better understanding of the CO{sub 2}-sequestration enhanced coalbed methane (ECBM) recovery process. The transport model used was based on the bidisperse diffusion mechanism and Maxwell-Stefan (MS) diffusion theory. This provides an alternative approach to simulate multicomponent gas diffusion and flow in bulk coals. A series of high-stress core flush tests were performed on a large coal sample sourced from a Bowen Basin coal mine in Queensland, Australia to investigatemore » the kinetics of one gas displacing another. These experimental results were used to derive gas diffusivities, and to examine the predictive capability of the diffusion model. The simulations show good agreements with the displacement experiments revealing that MS diffusion theory is superior for describing diffusion of mixed gases in coals compared with the constant Fick diffusivity model. The optimized effective micropore and macropore diffusivities are comparable with experimental measurements achieved by other researchers.« less

Diffusive transfer to membranes as an effective interface between gel electrophoresis and mass spectrometry

NASA Astrophysics Data System (ADS)

Ogorzalek Loo, Rachel R.; Mitchell, Charles; Stevenson, Tracy I.; Loo, Joseph A.; Andrews, Philip C.

1997-12-01

Diffusive transfer was examined as a blotting method to transfer proteins from polyacrylamide gels to membranes for ultraviolet matrix-assisted laser desorption ionization (MALDI) mass spectrometry. The method is well-suited for transfers from isoelectric focusing (IEF) gels. Spectra have been obtained for 11 pmol of 66 kDa albumin loaded onto an IEF gel and subsequently blotted to polyethylene. Similarly, masses of intact carbonic anhydrase and hemoglobin were obtained from 14 and 20 pmol loadings. This methodology is also compatible with blotting high molecular weight proteins, as seen for 6 pmol of the 150 kDa monoclonal antibody anti-[beta]-galactosidase transferred to Goretex. Polypropylene, Teflon, Nafion and polyvinylidene difluoride (PVDF) also produced good spectra following diffusive transfer. Only analysis from PVDF required that the membrane be kept wet prior to application of matrix. Considerations in mass accuracy for analysis from large-area membranes with continuous extraction and delayed extraction were explored, as were remedies for surface charging. Vapor phase CNBr cleavage was applied to membrane-bound samples for peptide mapping.

Determination of nitrogen dioxide in ambient air by use of a passive sampling technique and triethanolamine as absorbent

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

Krochmal, D.; Gorski, L.

1991-03-01

The effects of temperature, humidity, and storage on a diffusive sampler were tested by use of the Amaya-Sugiura method, modified previously. Several materials were used as carriers for triethanolamine in the sampler. The mass of NO{sub 2} absorbed in the sampler was determined spectrophotometrically as nitrite by using Saltzman solution. The collection efficiency of the sampler was lower than that calculated from Fick's law of diffusion due to significant contribution of liquid phase in the overall sampler diffusive resistance. This resulted in an increase of the mass of NO{sub 2} absorbed in the sampler by ca. 20% per 10{degree}C ofmore » temperature growth and by ca. 25% when the relative humidity rose from 0 to 100%. Dependence of concentration of TEA solution in the sampler on the relative humidity of the air was noted. The relative precision of the method characterized by RSD was 10%; the detection limit of NO{sub 2} was 10 {mu}g/m{sup 3} for a 24-h exposure.« less

An Apparent Diffusion Coefficient Histogram Method Versus a Traditional 2-Dimensional Measurement Method for Identifying Non-Puerperal Mastitis From Breast Cancer at 3.0 T.

PubMed

Tang, Qi; Li, Qiang; Xie, Dong; Chu, Ketao; Liu, Lidong; Liao, Chengcheng; Qin, Yunying; Wang, Zheng; Su, Danke

2018-05-21

This study aimed to investigate the utility of a volumetric apparent diffusion coefficient (ADC) histogram method for distinguishing non-puerperal mastitis (NPM) from breast cancer (BC) and to compare this method with a traditional 2-dimensional measurement method. Pretreatment diffusion-weighted imaging data at 3.0 T were obtained for 80 patients (NPM, n = 27; BC, n = 53) and were retrospectively assessed. Two readers measured ADC values according to 2 distinct region-of-interest (ROI) protocols. The first protocol included the generation of ADC histograms for each lesion, and various parameters were examined. In the second protocol, 3 freehand (TF) ROIs for local lesions were generated to obtain a mean ADC value (defined as ADC-ROITF). All of the ADC values were compared by an independent-samples t test or the Mann-Whitney U test. Receiver operating characteristic curves and a leave-one-out cross-validation method were also used to determine diagnostic deficiencies of the significant parameters. The ADC values for NPM were characterized by significantly higher mean, 5th to 95th percentiles, and maximum and mode ADCs compared with the corresponding ADCs for BC (all P < 0.05). However, the minimum, skewness, and kurtosis ADC values, as well as ADC-ROITF, did not significantly differ between the NPM and BC cases. Thus, the generation of volumetric ADC histograms seems to be a superior method to the traditional 2-dimensional method that was examined, and it also seems to represent a promising image analysis method for distinguishing NPM from BC.

Rapid Identification of Vancomycin Resistant Enterococcus Faecalis Clinical Isolates using a Sugar Fermentation Method

PubMed Central

Raeisi, Javad; Saifi, Mahnaz; Pourshafie, Mohammad Reza; Habibi, Mehri; Mohajerani, Hamid Reza; Akbari, Neda

2017-01-01

Introduction Vancomycin Resistant Enterococci (VRE) can be found all over the world. Thus, rapid detection of the isolates could be of high importance in the treatment or prevention of the associated disease. Aim To measure the turanose fermentation in Enterococcus faecalis clinical isolates for rapid differentiation of VRE and Vancomycin-Susceptible E. faecalis (VSE) isolates. Materials and Methods Forty E. faecalis samples were isolated from 200 clinical samples in Tehran Medical Center, Iran, from October 2012 to December 2012. These isolates were detected according to the standard microbial and biochemical tests. Detection of VRE isolates was originally performed by disk diffusion using 1 μg vancomycin disk, followed by Polymerase Chain Reaction (PCR) amplification of the vanA gene. Finally, the turanose consumption in 1%, 0.7% and 0.5% dilutions was detected by a phenotypic method. Results Among the 40 E. faecalis isolates, 20 vancomycin-susceptible and 20 vancomycin-resistant E. faecalis were isolated according to the disk diffusion and PCR of the vanA gene. There was a considerable difference between VRE and VSE isolates in 0.7% dilution of turanose. However, there was no significant difference between VRE and VSE in 1% and 0.5% dilutions of turanose. Conclusion Since detection of VRE isolates is of high importance, especially in nosocomial infections, phenotypic methods may be highly useful for this purpose. In conclusion, our data indicate that VRE isolated from clinical samples could be distinguished from VSE isolates by turanose fermentation at dilution 0.7%. PMID:28511382

Histopathology of ventilator-associated pneumonia (VAP) and its clinical implications.

PubMed

Torres, A; Fábregas, N; Arce, Y; López-Boado, M A

1999-01-01

Ventilator-associated pneumonia (VAP) is a diffuse polymicrobial and dynamic process, with heterogeneous distribution of lesions, showing different degrees of histological evolution predominating in the dependent lung zones, in which microbiology and histology can be dissociated. This might explain why blind endobronchial techniques to collect respiratory secretions have similar accuracy compared to visually guided samples, explaining the difficulties in validating any methods for its diagnosis. In the clinical setting the association of acute lung injury (ALI) and pneumonia is controversial. However, it is rare to detect diffuse alveolar damage (DAD) in absence of histological signs of pneumonia, probably evidencing that ALI favors the development of pneumonia. Histopathologically, it is difficult to distinguish initial and resolution phases of DAD from pneumonia and vice versa. On the other hand, there is a clear relationship between antimicrobial treatment and the decreased lung bacterial burden which strengthens the importance of distal airway sampling before starting antibiotic therapy.

A Stochastic Diffusion Process for the Dirichlet Distribution

DOE PAGES

Bakosi, J.; Ristorcelli, J. R.

2013-03-01

The method of potential solutions of Fokker-Planck equations is used to develop a transport equation for the joint probability ofNcoupled stochastic variables with the Dirichlet distribution as its asymptotic solution. To ensure a bounded sample space, a coupled nonlinear diffusion process is required: the Wiener processes in the equivalent system of stochastic differential equations are multiplicative with coefficients dependent on all the stochastic variables. Individual samples of a discrete ensemble, obtained from the stochastic process, satisfy a unit-sum constraint at all times. The process may be used to represent realizations of a fluctuating ensemble ofNvariables subject to a conservation principle.more » Similar to the multivariate Wright-Fisher process, whose invariant is also Dirichlet, the univariate case yields a process whose invariant is the beta distribution. As a test of the results, Monte Carlo simulations are used to evolve numerical ensembles toward the invariant Dirichlet distribution.« less

[Comparison of microdilution and disk diffusion methods for the detection of fluconazole and voriconazole susceptibility against clinical Candida glabrata isolates and determination of changing susceptibility with new CLSI breakpoints].

PubMed

Hazırolan, Gülşen; Sarıbaş, Zeynep; Arıkan Akdağlı, Sevtap

2016-07-01

Candida albicans is the most frequently isolated species as the causative agent of Candida infections. However, in recent years, the isolation rate of non-albicans Candida species have increased. In many centers, Candida glabrata is one of the commonly isolated non-albicans species of C.glabrata infections which are difficult-to-treat due to decreased susceptibility to fluconazole and cross-resistance to other azoles. The aims of this study were to determine the in vitro susceptibility profiles of clinical C.glabrata isolates against fluconazole and voriconazole by microdilution and disk diffusion methods and to evaluate the results with both the previous (CLSI) and current species-specific CLSI (Clinical and Laboratory Standards Institute) clinical breakpoints. A total of 70 C.glabrata strains isolated from clinical samples were included in the study. The identification of the isolates was performed by morphologic examination on cornmeal Tween 80 agar and assimilation profiles obtained by using ID32C (BioMérieux, France). Broth microdilution and disk diffusion methods were performed according to CLSI M27-A3 and CLSI M44-A2 documents, respectively. The results were evaluated according to CLSI M27-A3 and M44-A2 documents and new vs. species-specific CLSI breakpoints. By using both previous and new CLSI breakpoints, broth microdilution test results showed that voriconazole has greater in vitro activity than fluconazole against C.glabrata isolates. For the two drugs tested, very major error was not observed with disk diffusion method when microdilution method was considered as the reference method. Since "susceptible" category no more exists for fluconazole vs. C.glabrata, the isolates that were interpreted as susceptible by previous breakpoints were evaluated as susceptible-dose dependent by current CLSI breakpoints. Since species-specific breakpoints remain yet undetermined for voriconazole, comparative analysis was not possible for this agent. The results obtained at 24 hours by disk diffusion method were evaluated by using both previous and current CLSI breakpoints and the agreement rates for fluconazole and voriconazole were 80% and 92.8% with previous CLSI breakpoint, 87.1% and 94.2% with new breakpoints, respectively. The high agreement rates between the two methods obtained by the new breakpoints in particular suggest that disk diffusion appears as a reliable alternative method in general for in vitro susceptibility testing of fluconazole and voriconazole against C.glabrata isolates.

Sparse and optimal acquisition design for diffusion MRI and beyond

PubMed Central

Koay, Cheng Guan; Özarslan, Evren; Johnson, Kevin M.; Meyerand, M. Elizabeth

2012-01-01

Purpose: Diffusion magnetic resonance imaging (MRI) in combination with functional MRI promises a whole new vista for scientists to investigate noninvasively the structural and functional connectivity of the human brain—the human connectome, which had heretofore been out of reach. As with other imaging modalities, diffusion MRI data are inherently noisy and its acquisition time-consuming. Further, a faithful representation of the human connectome that can serve as a predictive model requires a robust and accurate data-analytic pipeline. The focus of this paper is on one of the key segments of this pipeline—in particular, the development of a sparse and optimal acquisition (SOA) design for diffusion MRI multiple-shell acquisition and beyond. Methods: The authors propose a novel optimality criterion for sparse multiple-shell acquisition and quasimultiple-shell designs in diffusion MRI and a novel and effective semistochastic and moderately greedy combinatorial search strategy with simulated annealing to locate the optimum design or configuration. The goal of the optimality criteria is threefold: first, to maximize uniformity of the diffusion measurements in each shell, which is equivalent to maximal incoherence in angular measurements; second, to maximize coverage of the diffusion measurements around each radial line to achieve maximal incoherence in radial measurements for multiple-shell acquisition; and finally, to ensure maximum uniformity of diffusion measurement directions in the limiting case when all the shells are coincidental as in the case of a single-shell acquisition. The approach taken in evaluating the stability of various acquisition designs is based on the condition number and the A-optimal measure of the design matrix. Results: Even though the number of distinct configurations for a given set of diffusion gradient directions is very large in general—e.g., in the order of 10232 for a set of 144 diffusion gradient directions, the proposed search strategy was found to be effective in finding the optimum configuration. It was found that the square design is the most robust (i.e., with stable condition numbers and A-optimal measures under varying experimental conditions) among many other possible designs of the same sample size. Under the same performance evaluation, the square design was found to be more robust than the widely used sampling schemes similar to that of 3D radial MRI and of diffusion spectrum imaging (DSI). Conclusions: A novel optimality criterion for sparse multiple-shell acquisition and quasimultiple-shell designs in diffusion MRI and an effective search strategy for finding the best configuration have been developed. The results are very promising, interesting, and practical for diffusion MRI acquisitions. PMID:22559620

Discovery of the linear region of Near Infrared Diffuse Reflectance spectra using the Kubelka-Munk theory

NASA Astrophysics Data System (ADS)

Dai, Shengyun; Pan, Xiaoning; Ma, Lijuan; Huang, Xingguo; Du, Chenzhao; Qiao, Yanjiang; Wu, Zhisheng

2018-05-01

Particle size is of great importance for the quantitative model of the NIR diffuse reflectance. In this paper, the effect of sample particle size on the measurement of harpagoside in Radix Scrophulariae powder by near infrared diffuse (NIR) reflectance spectroscopy was explored. High-performance liquid chromatography (HPLC) was employed as a reference method to construct the quantitative particle size model. Several spectral preprocessing methods were compared, and particle size models obtained by different preprocessing methods for establishing the partial least-squares (PLS) models of harpagoside. Data showed that the particle size distribution of 125-150 μm for Radix Scrophulariae exhibited the best prediction ability with R2pre=0.9513, RMSEP=0.1029 mg·g-1, and RPD = 4.78. For the hybrid granularity calibration model, the particle size distribution of 90-180 μm exhibited the best prediction ability with R2pre=0.8919, RMSEP=0.1632 mg·g-1, and RPD = 3.09. Furthermore, the Kubelka-Munk theory was used to relate the absorption coefficient k (concentration-dependent) and scatter coefficient s (particle size-dependent). The scatter coefficient s was calculated based on the Kubelka-Munk theory to study the changes of s after being mathematically preprocessed. A linear relationship was observed between k/s and absorption A within a certain range and the value for k/s was greater than 4. According to this relationship, the model was more accurately constructed with the particle size distribution of 90-180 μm when s was kept constant or in a small linear region. This region provided a good reference for the linear modeling of diffuse reflectance spectroscopy. To establish a diffuse reflectance NIR model, further accurate assessment should be obtained in advance for a precise linear model.

Interface bonding of NiCrAlY coating on laser modified H13 tool steel surface

NASA Astrophysics Data System (ADS)

Reza, M. S.; Aqida, S. N.; Ismail, I.

2016-06-01

Bonding strength of thermal spray coatings depends on the interfacial adhesion between bond coat and substrate material. In this paper, NiCrAlY (Ni-164/211 Ni22 %Cr10 %Al1.0 %Y) coatings were developed on laser modified H13 tool steel surface using atmospheric plasma spray (APS). Different laser peak power, P p, and duty cycle, DC, were investigated in order to improve the mechanical properties of H13 tool steel surface. The APS spraying parameters setting for coatings were set constant. The coating microstructure near the interface was analyzed using IM7000 inverted optical microscope. Interface bonding of NiCrAlY was investigated by interfacial indentation test (IIT) method using MMT-X7 Matsuzawa Hardness Tester Machine with Vickers indenter. Diffusion of atoms along NiCrAlY coating, laser modified and substrate layers was investigated by energy-dispersive X-ray spectroscopy (EDXS) using Hitachi Tabletop Microscope TM3030 Plus. Based on IIT method results, average interfacial toughness, K avg, for reference sample was 2.15 MPa m1/2 compared to sample L1 range of K avg from 6.02 to 6.96 MPa m1/2 and sample L2 range of K avg from 2.47 to 3.46 MPa m1/2. Hence, according to K avg, sample L1 has the highest interface bonding and is being laser modified at lower laser peak power, P p, and higher duty cycle, DC, prior to coating. The EDXS analysis indicated the presence of Fe in the NiCrAlY coating layer and increased Ni and Cr composition in the laser modified layer. Atomic diffusion occurred in both coating and laser modified layers involved in Fe, Ni and Cr elements. These findings introduce enhancement of coating system by substrate surface modification to allow atomic diffusion.

Two-photon fluorescence anisotropy imaging

NASA Astrophysics Data System (ADS)

Li, Wei; Wang, Yi; Shao, Hanrong; He, Yonghong; Ma, Hui

2006-09-01

We have developed a novel method for imaging the fluorescence intensity and anisotropy by two-photon fluorescence microscopy and tested its capability in biological application. This method is applied to model sample including FITC and FITC-CD44 antibody solution and also FITC-CD44 stained cells. The fluorescence anisotropy (FA) of FITC-CD44ab solution is higher than the FITC solution with the same concentration. The fluorescence in cell sample has even higher FA than in solution because the rotation diffusion is restrained in membrane. The method is employed to study the effect of berberine a kind of Chinese medicine, on tumor metastasis. The results indicated that tumor cell membrane fluidity is decreasing with increasing the concentration of berberine in culture medium.

Incorporation of Prior Knowledge of Signal Behavior Into the Reconstruction to Accelerate the Acquisition of Diffusion MRI Data.

PubMed

Abascal, Juan F P J; Desco, Manuel; Parra-Robles, Juan

2018-02-01

Diffusion MRI data are generally acquired using hyperpolarized gases during patient breath-hold, which yields a compromise between achievable image resolution, lung coverage, and number of -values. In this paper, we propose a novel method that accelerates the acquisition of diffusion MRI data by undersampling in both the spatial and -value dimensions and incorporating knowledge about signal decay into the reconstruction (SIDER). SIDER is compared with total variation (TV) reconstruction by assessing its effect on both the recovery of ventilation images and the estimated mean alveolar dimensions (MADs). Both methods are assessed by retrospectively undersampling diffusion data sets ( =8) of healthy volunteers and patients with Chronic Obstructive Pulmonary Disease (COPD) for acceleration factors between x2 and x10. TV led to large errors and artifacts for acceleration factors equal to or larger than x5. SIDER improved TV, with a lower solution error and MAD histograms closer to those obtained from fully sampled data for acceleration factors up to x10. SIDER preserved image quality at all acceleration factors, although images were slightly smoothed and some details were lost at x10. In conclusion, we developed and validated a novel compressed sensing method for lung MRI imaging and achieved high acceleration factors, which can be used to increase the amount of data acquired during breath-hold. This methodology is expected to improve the accuracy of estimated lung microstructure dimensions and provide more options in the study of lung diseases with MRI.

Diffusive parameters of tritiated water and uranium in chalk

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

Descostes, M.; UMR 8587 CEA, Universite d'Evry, CNRS,; Pili, E.

2012-07-15

The Cretaceous Chalk of North-western Europe exhibits a double porosity (matrix and fracture) providing pathways for both slow and rapid flow of water. The present study aims at understanding and predicting the contaminant transfer properties through a significant section of this formation, with a particular emphasis on diffusion. This requires to study the nature of porosity and to perform diffusion experiments in representative samples using uranium and tritiated water (HTO), respectively taken as a reactive tracer and an inert one. The diffusive parameters, i.e. the accessible porosity and the effective diffusion coefficient were determined. Additional information was obtained with mercurymore » porosimetry, gravimetric water content, textural and mineralogical characterization. The diffusion tests performed with HTO appear to be the best method to measure the total accessible porosity in any type of porous media, especially those having large pore size distributions. Our study demonstrates that classical gravimetric water content measurements are not sensitive to the reduction in pore size as opposed to HTO diffusion tests because capillary water is not extracted by conventional gravimetric method but can still be probed by diffusion experiments. We found effective diffusion coefficients D{sub e}(U(VI)) near 4 x 10{sup -10} m{sup 2}s{sup -1}). The slower migration of U(VI) compared to HTO indicates sorption, with R{sub d}(U(VI)) from 100 to 360 mL g{sup -1}. These values are one order of magnitude larger than other determinations of the U(VI) sorption coefficient because only the matrix porosity is concerned here. The migration of U(VI) in chalk is only limited by sorption on ancillary Fe-Pb-bearing minerals. Transport of HTO and U(VI) is independent of the porosity distribution. Uranium diffusion in the chalk matrix porosity is fast enough to allow the total invasion of the pore space within characteristic time scales of the order of 1000 years. This results in a partitioning of uranium velocities in fracture flow and matrix flow proportionally to the respective fracture and matrix porosities. (authors)« less

An accurate computational method for the diffusion regime verification

NASA Astrophysics Data System (ADS)

Zhokh, Alexey A.; Strizhak, Peter E.

2018-04-01

The diffusion regime (sub-diffusive, standard, or super-diffusive) is defined by the order of the derivative in the corresponding transport equation. We develop an accurate computational method for the direct estimation of the diffusion regime. The method is based on the derivative order estimation using the asymptotic analytic solutions of the diffusion equation with the integer order and the time-fractional derivatives. The robustness and the computational cheapness of the proposed method are verified using the experimental methane and methyl alcohol transport kinetics through the catalyst pellet.

Acquisition of reproducible transmission near-infrared (NIR) spectra of solid samples with inconsistent shapes by irradiation with isotropically diffused radiation using polytetrafluoroethylene (PTFE) beads.

PubMed

Lee, Jinah; Duy, Pham Khac; Yoon, Jihye; Chung, Hoeil

2014-06-21

A bead-incorporated transmission scheme (BITS) has been demonstrated for collecting reproducible transmission near-infrared (NIR) spectra of samples with inconsistent shapes. Isotropically diffused NIR radiation was applied around a sample and the surrounding radiation was allowed to interact homogeneously with the sample for transmission measurement. Samples were packed in 1.40 mm polytetrafluoroethylene (PTFE) beads, ideal diffusers without NIR absorption, and then transmission spectra were collected by illuminating the sample-containing beads using NIR radiation. When collimated radiation was directly applied, a small portion of the non-fully diffused radiation (NFDR) propagated through the void space of the packing and eventually degraded the reproducibility. Pre-diffused radiation was introduced by placing an additional PTFE disk in front of the packing to diminish NFDR, which produced more reproducible spectral features. The proposed scheme was evaluated by analyzing two different solid samples: density determination for individual polyethylene (PE) pellets and identification of mining locality for tourmalines. Because spectral collection was reproducible, the use of the spectrum acquired from one PE pellet was sufficient to accurately determine the density of nine other pellets with different shapes. The differentiation of tourmalines, which are even more dissimilar in appearance, according to their mining locality was also feasible with the help of the scheme.

Local measurement of thermal conductivity and diffusivity

DOE PAGES

Hurley, David H.; Schley, Robert S.; Khafizov, Marat; ...

2015-12-01

Simultaneous measurement of local thermal diffusivity and conductivity is demonstrated on a range of ceramic samples. This was accomplished by measuring the temperature field spatial profile of samples excited by an amplitude modulated continuous wave laser beam. A thin gold film is applied to the samples to ensure strong optical absorption and to establish a second boundary condition that introduces an expression containing the substrate thermal conductivity. The diffusivity and conductivity are obtained by comparing the measured phase profile of the temperature field to a continuum based model. A sensitivity analysis is used to identify the optimal film thickness formore » extracting the both substrate conductivity and diffusivity. Proof of principle studies were conducted on a range of samples having thermal properties that are representative of current and advanced accident tolerant nuclear fuels. It is shown that by including the Kapitza resistance as an additional fitting parameter, the measured conductivity and diffusivity of all the samples considered agree closely with literature values. Lastly, a distinguishing feature of this technique is that it does not require a priori knowledge of the optical spot size which greatly increases measurement reliability and reproducibility.« less

Local measurement of thermal conductivity and diffusivity

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

Hurley, David H.; Schley, Robert S.; Khafizov, Marat

2015-12-15

Simultaneous measurement of local thermal diffusivity and conductivity is demonstrated on a range of ceramic samples. This was accomplished by measuring the temperature field spatial profile of samples excited by an amplitude modulated continuous wave laser beam. A thin gold film is applied to the samples to ensure strong optical absorption and to establish a second boundary condition that introduces an expression containing the substrate thermal conductivity. The diffusivity and conductivity are obtained by comparing the measured phase profile of the temperature field to a continuum based model. A sensitivity analysis is used to identify the optimal film thickness formore » extracting the both substrate conductivity and diffusivity. Proof of principle studies were conducted on a range of samples having thermal properties that are representatives of current and advanced accident tolerant nuclear fuels. It is shown that by including the Kapitza resistance as an additional fitting parameter, the measured conductivity and diffusivity of all the samples considered agreed closely with the literature values. A distinguishing feature of this technique is that it does not require a priori knowledge of the optical spot size which greatly increases measurement reliability and reproducibility.« less

Evaluation of optimized b-value sampling schemas for diffusion kurtosis imaging with an application to stroke patient data

PubMed Central

Yan, Xu; Zhou, Minxiong; Ying, Lingfang; Yin, Dazhi; Fan, Mingxia; Yang, Guang; Zhou, Yongdi; Song, Fan; Xu, Dongrong

2013-01-01

Diffusion kurtosis imaging (DKI) is a new method of magnetic resonance imaging (MRI) that provides non-Gaussian information that is not available in conventional diffusion tensor imaging (DTI). DKI requires data acquisition at multiple b-values for parameter estimation; this process is usually time-consuming. Therefore, fewer b-values are preferable to expedite acquisition. In this study, we carefully evaluated various acquisition schemas using different numbers and combinations of b-values. Acquisition schemas that sampled b-values that were distributed to two ends were optimized. Compared to conventional schemas using equally spaced b-values (ESB), optimized schemas require fewer b-values to minimize fitting errors in parameter estimation and may thus significantly reduce scanning time. Following a ranked list of optimized schemas resulted from the evaluation, we recommend the 3b schema based on its estimation accuracy and time efficiency, which needs data from only 3 b-values at 0, around 800 and around 2600 s/mm2, respectively. Analyses using voxel-based analysis (VBA) and region-of-interest (ROI) analysis with human DKI datasets support the use of the optimized 3b (0, 1000, 2500 s/mm2) DKI schema in practical clinical applications. PMID:23735303

Locally enhanced sampling molecular dynamics study of the dioxygen transport in human cytoglobin.

PubMed

Orlowski, Slawomir; Nowak, Wieslaw

2007-07-01

Cytoglobin (Cyg)--a new member of the vertebrate heme globin family--is expressed in many tissues of the human body but its physiological role is still unclear. It may deliver oxygen under hypoxia, serve as a scavenger of reactive species or be involved in collagen synthesis. This protein is usually six-coordinated and binds oxygen by a displacement of the distal HisE7 imidazole. In this paper, the results of 60 ns molecular dynamics (MD) simulations of dioxygen diffusion inside Cyg matrix are discussed. In addition to a classical MD trajectory, an approximate Locally Enhanced Sampling (LES) method has been employed. Classical diffusion paths were carefully analyzed, five cavities in dynamical structures were determined and at least four distinct ligand exit paths were identified. The most probable exit/entry path is connected with a large tunnel present in Cyg. Several residues that are perhaps critical for kinetics of small gaseous diffusion were discovered. A comparison of gaseous ligand transport in Cyg and in the most studied heme protein myoglobin is presented. Implications of efficient oxygen transport found in Cyg to its possible physiological role are discussed.

Fermi level dependence of hydrogen diffusivity in GaN

NASA Astrophysics Data System (ADS)

Polyakov, A. Y.; Smirnov, N. B.; Pearton, S. J.; Ren, F.; Theys, B.; Jomard, F.; Teukam, Z.; Dmitriev, V. A.; Nikolaev, A. E.; Usikov, A. S.; Nikitina, I. P.

2001-09-01

Hydrogen diffusion studies were performed in GaN samples with different Fermi level positions. It is shown that, at 350 °C, hydrogen diffusion is quite fast in heavily Mg doped p-type material with the Fermi level close to Ev+0.15 eV, considerably slower in high-resistivity p-GaN(Zn) with the Fermi level Ev+0.9 eV, while for conducting and semi-insulating n-GaN samples with the Fermi level in the upper half of the band gap no measurable hydrogen diffusion could be detected. For these latter samples it is shown that higher diffusion temperature of 500 °C and longer times (50 h) are necessary to incorporate hydrogen to appreciable depth. These findings are in line with previously published theoretical predictions of the dependence of hydrogen interstitials formation in GaN on the Fermi level position.

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

Streza, M.; Dadarlat, D.; Strzałkowski, K.

An accurate determination of thermophysical properties such as thermal diffusivity, thermal effusivity and thermal conductivity is extremely important for characterization and quality assurance of semiconductors. Thermal diffusivity and effusivity of some binary semiconductors have been investigated. Two experimental techniques were used: a contact technique (PPE calorimetry) and a non contact technique (lock-in thermography). When working with PPE, in the back (BPPE) configuration and in the thermally thick regim of the pyroelectric sensor, we can get the thermal diffusivity of the sample by performing a scanning of the excitation frequency of radiation. Thermal effusivity is obtained in front configuration (sensor directlymore » irradiated and sample in back position) by performing a thickness scan of a coupling fluid. By using the lock-in thermography technique, the thermal diffusivity of the sample is obtained from the phase image. The results obtained by the two techniques are in good agreement. Nevertheless, for the determination of thermal diffusivity, lock-in thermography is preferred.« less

Method for measurement of radon diffusion and solubility in solid materials

NASA Astrophysics Data System (ADS)

Maier, Andreas; Weber, Uli; Dickmann, Jannis; Breckow, Joachim; van Beek, Patrick; Schardt, Dieter; Kraft, Gerhard; Fournier, Claudia

2018-02-01

In order to study the permeation i.e. the diffusion and solubility of radon gas in biological material, a new setup was constructed and a novel analysis was applied to obtain diffusion and solubility coefficients. Thin slabs of solid materials were installed between detector housing and the surrounding radon exposure chamber of 50 Ls volume. In this setup radon can diffuse through thin test samples into a cylindrical volume of 5 mm height and 20 mm diameter and reach an α-particle detector. There the 5.49 MeV α-decay of the penetrating radon atoms is measured by a silicon surface barrier detector. The time dependent activities inside the small detector volume are recorded after injection of a known radon activity concentration into the outer chamber. Analyzing the time behavior of the integral α-activity from radon in the small vessel, both, the diffusion coefficient and solubility of the test material can be determined, based on a new mathematical model of the diffusion process concerning the special boundary conditions given by the experimental setup. These first measurements were intended as proof of concept for the detection system and the data analysis. Thin polyethylene foils (LDPE) were selected as material for the diffusion measurements and the results were in agreement with data from literature. In further measurements, we will concentrate on biological material like bone, fat and other tissues.

Determination of diffusion coefficients of carbon dioxide in water between 268 and 473 K in a high-pressure capillary optical cell with in situ Raman spectroscopic measurements

USGS Publications Warehouse

Lu, Wanjun; Guo, Huirong; Chou, I.-Ming; Burruss, R.C.; Li, Lanlan

2013-01-01

Accurate values of diffusion coefficients for carbon dioxide in water and brine at reservoir conditions are essential to our understanding of transport behavior of carbon dioxide in subsurface pore space. However, the experimental data are limited to conditions at low temperatures and pressures. In this study, diffusive transfer of carbon dioxide in water at pressures up to 45 MPa and temperatures from 268 to 473 K was observed within an optical capillary cell via time-dependent Raman spectroscopy. Diffusion coefficients were estimated by the least-squares method for the measured variations in carbon dioxide concentration in the cell at various sample positions and time. At the constant pressure of 20 MPa, the measured diffusion coefficients of carbon dioxide in water increase with increasing temperature from 268 to 473 K. The relationship between diffusion coefficient of carbon dioxide in water [D(CO2) in m2/s] and temperature (T in K) was derived with Speedy–Angell power-law approach as: D(CO2)=D0[T/Ts-1]m where D0 = 13.942 × 10−9 m2/s, Ts = 227.0 K, and m = 1.7094. At constant temperature, diffusion coefficients of carbon dioxide in water decrease with pressure increase. However, this pressure effect is rather small (within a few percent).

Full Characterization of CO2-Oil Properties On-Chip: Solubility, Diffusivity, Extraction Pressure, Miscibility, and Contact Angle.

PubMed

Sharbatian, Atena; Abedini, Ali; Qi, ZhenBang; Sinton, David

2018-02-20

Carbon capture, storage, and utilization technologies target a reduction in net CO 2 emissions to mitigate greenhouse gas effects. The largest such projects worldwide involve storing CO 2 through enhanced oil recovery-a technologically and economically feasible approach that combines both storage and oil recovery. Successful implementation relies on detailed measurements of CO 2 -oil properties at relevant reservoir conditions (P = 2.0-13.0 MPa and T = 23 and 50 °C). In this paper, we demonstrate a microfluidic method to quantify the comprehensive suite of mutual properties of a CO 2 and crude oil mixture including solubility, diffusivity, extraction pressure, minimum miscibility pressure (MMP), and contact angle. The time-lapse oil swelling/extraction in response to CO 2 exposure under stepwise increasing pressure was quantified via fluorescence microscopy, using the inherent fluorescence property of the oil. The CO 2 solubilities and diffusion coefficients were determined from the swelling process with measurements in strong agreement with previous results. The CO 2 -oil MMP was determined from the subsequent oil extraction process with measurements within 5% of previous values. In addition, the oil-CO 2 -silicon contact angle was measured throughout the process, with contact angle increasing with pressure. In contrast with conventional methods, which require days and ∼500 mL of fluid sample, the approach here provides a comprehensive suite of measurements, 100-fold faster with less than 1 μL of sample, and an opportunity to better inform large-scale CO 2 projects.

NIST High Accuracy Reference Reflectometer-Spectrophotometer

PubMed Central

Proctor, James E.; Yvonne Barnes, P.

1996-01-01

A new reflectometer-spectrophotometer has been designed and constructed using state-of-the-art technology to enhance optical properties of materials measurements over the ultraviolet, visible, and near-infrared (UV-Vis-NIR) wavelength range (200 nm to 2500 nm). The instrument, Spectral Tri-function Automated Reference Reflectometer (STARR), is capable of measuring specular and diffuse reflectance, bidirectional reflectance distribution function (BRDF) of diffuse samples, and both diffuse and non-diffuse transmittance. Samples up to 30 cm by 30 cm can be measured. The instrument and its characterization are described. PMID:27805081

Comparison of temporal trends in VOCs as measured with PDB samplers and low-flow sampling methods

USGS Publications Warehouse

Harte, P.T.

2002-01-01

Analysis of temporal trends in tetrachloroethylene (PCE) concentration determined by two sample techniques showed that passive diffusion bag (pdb) samplers adequately sample the large variation in PCE concentrations at the site. The slopes of the temporal trends in concentrations were comparable between the two techniques, and the pdb sample concentration generally reflected the instantaneous concentration sampled by the low-flow technique. Thus, the pdb samplers provided an appropriate sampling technique for PCE at these wells. One or two wells did not make the case for widespread application of pdb samples at all sites. However, application of pdb samples in some circumstances was appropriate for evaluating temporal and spatial variations in VOC concentrations, thus, should be considered as a useful tool in hydrogeology.

Rapid determination of nitrites in food using a diffuse UV-visible reflectance method.

PubMed

Khan, S; Vila, M M D C; Tubino, M

2012-08-01

A simple, low-cost, sensitive and selective method for the determination of trace quantities of nitrite in foods such as cheese and cured meat using diffuse ultraviolet-visible reflectance was developed. It is based on the reaction of nitrite with sulphadiazine and α-naphthol, which produces a coloured product in basic medium. The reaction is carried out directly in the measuring cell. For cheese the limit of detection (LOD), expressed as NaNO₂, was estimated to be about 2.0 × 10⁻²mg l⁻¹ (2.9 × 10⁻⁷mol l⁻¹) in the final measuring solution and 0.17 mg kg⁻¹ in cheese (2.5 × 10⁻⁶mol kg⁻¹). The relative standard deviation (RSD) varied from 5% to 8% depending on the sample. For meat the LOD was estimated to be about 2.0 × 10⁻²mg l⁻¹ (2.9 × 10⁻⁷mol l⁻¹) in the final measuring solution and 0.13 mg kg⁻¹ in meat (1.9 × 10⁻⁶mol kg⁻¹). The RSD varied from 3% to 6% depending on the sample. The results of the proposed method were also compared with those obtained with the official method using the statistical Student's t-test and F-test procedures.

Sensitive determination of trace mercury by UV-visible diffuse reflectance spectroscopy after complexation and membrane filtration-enrichment.

PubMed

Yin, Changhai; Iqbal, Jibran; Hu, Huilian; Liu, Bingxiang; Zhang, Lei; Zhu, Bilin; Du, Yiping

2012-09-30

A simple, sensitive and selective solid phase reflectometry method is proposed for the determination of trace mercury in aqueous samples. The complexation reagent dithizone was firstly injected into the properly buffered solution with vigorous stirring, which started a simultaneous formation of nanoparticles suspension of dithizone and its complexation reaction with the mercury(II) ions to make Hg-dithizone nanoparticles. After a definite time, the mixture was filtered with membrane, and then quantified directly on the surface of the membrane by using integrating sphere accessory of the UV-visible spectrophotometer. The quantitative analysis was carried out at a wavelength of 485 nm since it yielded the largest difference in diffuse reflectance spectra before and after reaction with mercury(II).A good linear correlation in the range of 0.2-4.0 μg/L with a squared correlation coefficient (R(2)) of 0.9944 and a detection limit of 0.12 μg/L were obtained. The accuracy of the method was evaluated by the analysis of spiked mercury(II) concentrations determined using this method along with those determined by the atomic fluorescence mercury vapourmeter and the results obtained were in good agreement. The proposed method was applied to the determination of mercury in tap water and river water samples with the recovery in an acceptable range (95.7-105.3%). Copyright © 2012 Elsevier B.V. All rights reserved.

Multifractal diffusion entropy analysis: Optimal bin width of probability histograms

NASA Astrophysics Data System (ADS)

Jizba, Petr; Korbel, Jan

2014-11-01

In the framework of Multifractal Diffusion Entropy Analysis we propose a method for choosing an optimal bin-width in histograms generated from underlying probability distributions of interest. The method presented uses techniques of Rényi’s entropy and the mean squared error analysis to discuss the conditions under which the error in the multifractal spectrum estimation is minimal. We illustrate the utility of our approach by focusing on a scaling behavior of financial time series. In particular, we analyze the S&P500 stock index as sampled at a daily rate in the time period 1950-2013. In order to demonstrate a strength of the method proposed we compare the multifractal δ-spectrum for various bin-widths and show the robustness of the method, especially for large values of q. For such values, other methods in use, e.g., those based on moment estimation, tend to fail for heavy-tailed data or data with long correlations. Connection between the δ-spectrum and Rényi’s q parameter is also discussed and elucidated on a simple example of multiscale time series.

A non-invasive diffuse reflectance calibration-free method for absolute determination of exogenous biochemicals concentration in biological tissues

NASA Astrophysics Data System (ADS)

Lappa, Alexander V.; Kulikovskiy, Artem N.; Busarov, Oleg G.

2014-03-01

The paper presents a new method for distant non-destructive determination of concentration of light absorbing admixtures in turbid media. In particular, it is intended for non-invasive in vivo control of accumulation in patient tissues of various biochemicals introduced to the patients for chemotherapy, photodynamic therapy or diagnostics. It is require that the admixture absorption spectrum should have a clearly marked peak in the wavelength region where the pure medium one varies regularly. Fluorescence of admixtures is not required. The method uses the local diffuse reflectance spectroscopy with optical fiber probe including one emitting and two reading There are several features in the method: the value to be determined is absolute concentration of admixtures; the method needs no calibration measurements on phantoms; it needs no reference measurements on sample with zero admixture concentration; it uses a two parametric kinetic light propagation model and original algorithms to resolve direct and inverse tasks of radiation transport theory. Experimental testing passed with tissue equivalent phantoms and different admixtures, including a chlorine photosensitizer, showed accuracy under 10% in all cases.

Advances in spectroscopic methods for quantifying soil carbon

USGS Publications Warehouse

Reeves, James B.; McCarty, Gregory W.; Calderon, Francisco; Hively, W. Dean

2012-01-01

The current gold standard for soil carbon (C) determination is elemental C analysis using dry combustion. However, this method requires expensive consumables, is limited by the number of samples that can be processed (~100/d), and is restricted to the determination of total carbon. With increased interest in soil C sequestration, faster methods of analysis are needed, and there is growing interest in methods based on diffuse reflectance spectroscopy in the visible, near-infrared or mid-infrared spectral ranges. These spectral methods can decrease analytical requirements and speed sample processing, be applied to large landscape areas using remote sensing imagery, and be used to predict multiple analytes simultaneously. However, the methods require localized calibrations to establish the relationship between spectral data and reference analytical data, and also have additional, specific problems. For example, remote sensing is capable of scanning entire watersheds for soil carbon content but is limited to the surface layer of tilled soils and may require difficult and extensive field sampling to obtain proper localized calibration reference values. The objective of this chapter is to discuss the present state of spectroscopic methods for determination of soil carbon.

Secondary Ion Mass Spectrometry for Mg Tracer Diffusion: Issues and Solutions

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

Tuggle, Jay; Giordani, Andrew; Kulkarni, Nagraj S

2014-01-01

A Secondary Ion Mass Spectrometry (SIMS) method has been developed to measure stable Mg isotope tracer diffusion. This SIMS method was then used to calculate Mg self- diffusivities and the data was verified against historical data measured using radio tracers. The SIMS method has been validated as a reliable alternative to the radio-tracer technique for the measurement of Mg self-diffusion coefficients and can be used as a routine method for determining diffusion coefficients.

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

PubMed

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

2006-05-09

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

Orthotropic and time-dependent moisture diffusion measurements in polymer matrix composites using nuclear reaction analysis

NASA Astrophysics Data System (ADS)

Pilli, Siva P.

Moisture plays a significant role in influencing the mechanical behavior and long-term durability of composites. The objective of this dissertation was to understand the basic concepts of moisture transport in polymeric composites. Humidity test chambers were used in combination with D2O water to characterize the diffusion of D2O using Nuclear Reaction Analysis (NRA). Moisture content was measured as a function of through-thickness depth using NRA. In this study a novel method to measure the orthotropic diffusivities of polymer matrix composites has been demonstrated. This was achieved by soaking the samples in D2O vapor and subsequently characterizing the diffusion of D2O at all edges of the coupon using NRA. The diffusivity through the surface was 3½ times higher than the diffusivity through the edges. A direct comparison of experimental data with models using orthotropic diffusivities was in relatively good agreement. Surface moisture content was also measured as a function of time using NRA. It was shown that the surface concentration reaches an intermediate value of 79% Mm very rapidly and is followed by a slow linear increase to the saturation level (Mm). This research also interrogates the effect of pressure on diffusion. Test chambers were built to maintain a constant relative humidity of 80% at 60°C at three different pressures (0.101 MPa, 0.517 MPa and 1.034 MPa) including a liquid water immersion test chamber at 60°C. In this study it was observed that the time to saturation increased with increasing chamber pressure. This was primarily due to the increased maximum moisture content at higher pressures. Liquid immersion of the test samples provided the upper bound for maximum moisture content and a lower bound for time to saturation. The effects of material systems and layups on humidity measurements were also studied using two different polymer composite material systems, Cycom and Toray. Diffusivity results were identical for different layups whereas differences were observed for different material systems. Finally three-dimensional numeric models were developed, using ANSYS, to compare with the measured moisture content. Models incorporating the time-dependent and 3-D diffusion have shown an improved correlation with experiments.

Isolation of antimicrobial producing Actinobacteria from soil samples.

PubMed

Elbendary, Afaf Ahmed; Hessain, Ashgan Mohamed; El-Hariri, Mahmoud Darderi; Seida, Ahmed Adel; Moussa, Ihab Mohamed; Mubarak, Ayman Salem; Kabli, Saleh A; Hemeg, Hassan A; El Jakee, Jakeen Kamal

2018-01-01

Emergence of multidrug resistant bacteria has made the search for novel bioactive compounds from natural and unexplored habitats a necessity. Actinobacteria have important bioactive substances. The present study investigated antimicrobial activity of Actinobacteria isolated from soil samples of Egypt. One hundred samples were collected from agricultural farming soil of different governorates. Twelve isolates have produced activity against the tested microorganisms ( S. aureus , Bacillus cereus , E. coli , K. pneumoniae , P. aeruginosa , S. Typhi, C. albicans , A. niger and A. flavus ). By VITEK 2 system version: 07.01 the 12 isolates were identified as Kocuria kristinae , Kocuria rosea , Streptomyces griseus , Streptomyces flaveolus and Actinobacteria . Using ethyl acetate extraction method the isolates culture's supernatants were tested by diffusion method against indicator microorganisms. These results indicate that Actinobacteria isolated from Egypt farms could be sources of antimicrobial bioactive substances.

24-HOUR DIFFUSIVE SAMPLING OF TOXIC VOCS IN AIR ONTO CARBOPACK X SOLID ADSORBENT FOLLOWED BY THERMAL DESORPTION/GC/MS ANALYSIS - LABORATORY STUDIES

EPA Science Inventory

Diffusive sampling of a mixture of 42 volatile organic compounds (VOCs) in humidified, purified air onto the solid adsorbent Carbopack X was evaluated under controlled laboratory conditions. The evaluation included variations in sample air temperature, relative humidity, and ozon...

Estimation of white matter fiber parameters from compressed multiresolution diffusion MRI using sparse Bayesian learning.

PubMed

Pisharady, Pramod Kumar; Sotiropoulos, Stamatios N; Duarte-Carvajalino, Julio M; Sapiro, Guillermo; Lenglet, Christophe

2018-02-15

We present a sparse Bayesian unmixing algorithm BusineX: Bayesian Unmixing for Sparse Inference-based Estimation of Fiber Crossings (X), for estimation of white matter fiber parameters from compressed (under-sampled) diffusion MRI (dMRI) data. BusineX combines compressive sensing with linear unmixing and introduces sparsity to the previously proposed multiresolution data fusion algorithm RubiX, resulting in a method for improved reconstruction, especially from data with lower number of diffusion gradients. We formulate the estimation of fiber parameters as a sparse signal recovery problem and propose a linear unmixing framework with sparse Bayesian learning for the recovery of sparse signals, the fiber orientations and volume fractions. The data is modeled using a parametric spherical deconvolution approach and represented using a dictionary created with the exponential decay components along different possible diffusion directions. Volume fractions of fibers along these directions define the dictionary weights. The proposed sparse inference, which is based on the dictionary representation, considers the sparsity of fiber populations and exploits the spatial redundancy in data representation, thereby facilitating inference from under-sampled q-space. The algorithm improves parameter estimation from dMRI through data-dependent local learning of hyperparameters, at each voxel and for each possible fiber orientation, that moderate the strength of priors governing the parameter variances. Experimental results on synthetic and in-vivo data show improved accuracy with a lower uncertainty in fiber parameter estimates. BusineX resolves a higher number of second and third fiber crossings. For under-sampled data, the algorithm is also shown to produce more reliable estimates. Copyright © 2017 Elsevier Inc. All rights reserved.

Effect of Mechanical Impact Energy on the Sorption and Diffusion of Moisture in Reinforced Polymer Composite Samples on Variation of Their Sizes

NASA Astrophysics Data System (ADS)

Startsev, V. O.; Il'ichev, A. V.

2018-05-01

The effect of mechanical impact energy on the sorption and diffusion of moisture in polymer composite samples on variation of their sizes was investigated. Square samples, with sides of 40, 60, 80, and 100 mm, made of a KMKU-2m-120.E0,1 carbon-fiber and KMKS-2m.120.T10 glass-fiber plastics with different resistances to calibrated impacts, were compared. Impact loading diagrams of the samples in relation to their sizes and impact energy were analyzed. It is shown that the moisture saturation and moisture diffusion coefficient of the impact-damaged materials can be modeled by Fick's second law with account of impact energy and sample sizes.

Diffusion phenomenon at the interface of Cu-brass under a strong gravitational field

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

Ogata, Yudai; Tokuda, Makoto; Januszko, Kamila

2015-03-28

To investigate diffusion phenomenon at the interface between Cu and brass under a strong gravitational field generated by ultracentrifuge apparatus, we performed gravity experiments on samples prepared by electroplating with interfaces normal and parallel to the direction of gravity. For the parallel-mode sample, for which sedimentation cannot occur thorough the interface, the concentration change was significant within the lower gravity region; many pores were observed in this region. Many vacancies arising from crystal strain due to the strong gravitational field moved into the lower gravity region, and enhanced the atoms mobilities. For the two normal-mode samples, which have interface normalmore » to the direction of gravity, the composition gradient of the brass-on-Cu sample was steeper than that for Cu-on-brass. This showed that the atoms of denser Cu diffuse in the direction of gravity, whereas Zn atoms diffuse in the opposite direction by sedimentation. The interdiffusion coefficients became higher in the Cu-on-brass sample, and became lower in the brass-on-Cu sample. This rise may be related to the behavior of the vacancies.« less

Grain boundary diffusion behaviors in hot-deformed Nd2Fe14B magnets by PrNd-Cu low eutectic alloys

NASA Astrophysics Data System (ADS)

Tang, Xu; Chen, Renjie; Li, Ming; Jin, Chaoxiang; Yin, Wenzong; Lee, Don; Yan, Aru

2018-01-01

High coercivity of hot-deformed Nd2Fe14B magnets was obtained by grain boundary diffusion. Comparable squareness and similar magnetic properties for samples diffusing from side and pole surfaces show little discrepancies if quantities of the infiltrated PrNd-Cu low eutectic alloys is enough to obtain sufficient diffusion. However, the microstructures and higher characteristic peak ratios show preferable orientation of grains near surfaces of the sample diffused from side surfaces than that from pole surfaces. Amorphous Nd-rich phases and crystal Fe-rich phases were both observed in the diffused magnets. The enhancement of coercivity is considered to be resulted from grain boundary optimization and magnetic isolation which is caused by the thickened nonmagnetic intergranular phases.

Surface photovoltage method extended to silicon solar cell junction

NASA Technical Reports Server (NTRS)

Wang, E. Y.; Baraona, C. R.; Brandhorst, H. W., Jr.

1974-01-01

The conventional surface photovoltage (SPV) method is extended to the measurement of the minority carrier diffusion length in diffused semiconductor junctions of the type used in a silicon solar cell. The minority carrier diffusion values obtained by the SPV method agree well with those obtained by the X-ray method. Agreement within experimental error is also obtained between the minority carrier diffusion lengths in solar cell diffusion junctions and in the same materials with n-regions removed by etching, when the SPV method was used in the measurements.

Molecular dynamics simulation of three plastic additives' diffusion in polyethylene terephthalate.

PubMed

Li, Bo; Wang, Zhi-Wei; Lin, Qin-Bao; Hu, Chang-Ying

2017-06-01

Accurate diffusion coefficient data of additives in a polymer are of paramount importance for estimating the migration of the additives over time. This paper shows how this diffusion coefficient can be estimated for three plastic additives [2-(2'-hydroxy-5'-methylphenyl) (UV-P), 2,6-di-tert-butyl-4-methylphenol (BHT) and di-(2-ethylhexyl) phthalate (DEHP)] in polyethylene terephthalate (PET) using the molecular dynamics (MD) simulation method. MD simulations were performed at temperatures of 293-433 K. The diffusion coefficient was calculated through the Einstein relationship connecting the data of mean-square displacement at different times. Comparison of the diffusion coefficients simulated by the MD simulation technique, predicted by the Piringer model and experiments, showed that, except for a few samples, the MD-simulated values were in agreement with the experimental values within one order of magnitude. Furthermore, the diffusion process for additives is discussed in detail, and four factors - the interaction energy between additive molecules and PET, fractional free volume, molecular shape and size, and self-diffusion of the polymer - are proposed to illustrate the microscopic diffusion mechanism. The movement trajectories of additives in PET cell models suggested that the additive molecules oscillate slowly rather than hopping for a long time. Occasionally, when a sufficiently large hole was created adjacently, the molecule could undergo spatial motion by jumping into the free-volume hole and consequently start a continuous oscillation and hop. The results indicate that MD simulation is a useful approach for predicting the microstructure and diffusion coefficient of plastic additives, and help to estimate the migration level of additives from PET packaging.

When Advocacy Obscures Accuracy Online: Digital Pandemics of Public Health Misinformation Through an Antifluoride Case Study

PubMed Central

Getman, Rebekah; Saraf, Avinash; Zhang, Lily H.; Kalenderian, Elsbeth

2015-01-01

Objectives. In an antifluoridation case study, we explored digital pandemics and the social spread of scientifically inaccurate health information across the Web, and we considered the potential health effects. Methods. Using the social networking site Facebook and the open source applications Netvizz and Gephi, we analyzed the connectedness of antifluoride networks as a measure of social influence, the social diffusion of information based on conversations about a sample scientific publication as a measure of spread, and the engagement and sentiment about the publication as a measure of attitudes and behaviors. Results. Our study sample was significantly more connected than was the social networking site overall (P < .001). Social diffusion was evident; users were forced to navigate multiple pages or never reached the sample publication being discussed 60% and 12% of the time, respectively. Users had a 1 in 2 chance of encountering negative and nonempirical content about fluoride unrelated to the sample publication. Conclusions. Network sociology may be as influential as the information content and scientific validity of a particular health topic discussed using social media. Public health must employ social strategies for improved communication management. PMID:25602893

Biexponential characterization of prostate tissue water diffusion decay curves over an extended b-factor range.

PubMed

Mulkern, Robert V; Barnes, Agnieszka Szot; Haker, Steven J; Hung, Yin P; Rybicki, Frank J; Maier, Stephan E; Tempany, Clare M C

2006-06-01

Detailed measurements of water diffusion within the prostate over an extended b-factor range were performed to assess whether the standard assumption of monoexponential signal decay is appropriate in this organ. From nine men undergoing prostate MR staging examinations at 1.5 T, a single 10-mm-thick axial slice was scanned with a line scan diffusion imaging sequence in which 14 equally spaced b factors from 5 to 3,500 s/mm(2) were sampled along three orthogonal diffusion sensitization directions in 6 min. Due to the combination of long scan time and limited volume coverage associated with the multi-b-factor, multidirectional sampling, the slice was chosen online from the available T2-weighted axial images with the specific goal of enabling the sampling of presumed noncancerous regions of interest (ROIs) within the central gland (CG) and peripheral zone (PZ). Histology from prescan biopsy (n=9) and postsurgical resection (n=4) was subsequently employed to help confirm that the ROIs sampled were noncancerous. The CG ROIs were characterized from the T2-weighted images as primarily mixtures of glandular and stromal benign prostatic hyperplasia, which is prevalent in this population. The water signal decays with b factor from all ROIs were clearly non-monoexponential and better served with bi- vs. monoexponential fits, as tested using chi(2)-based F test analyses. Fits to biexponential decay functions yielded intersubject fast diffusion component fractions in the order of 0.73+/-0.08 for both CG and PZ ROIs, fast diffusion coefficients of 2.68+/-0.39 and 2.52+/-0.38 microm(2)/ms and slow diffusion coefficients of 0.44+/-0.16 and 0.23+/-0.16 um(2)/ms for CG and PZ ROIs, respectively. The difference between the slow diffusion coefficients within CG and PZ was statistically significant as assessed with a Mann-Whitney nonparametric test (P<.05). We conclude that a monoexponential model for water diffusion decay in prostate tissue is inadequate when a large range of b factors is sampled and that biexponential analyses are better suited for characterizing prostate diffusion decay curves.

Diffusive gradients in thin-films (DGT) for in situ sampling of selected endocrine disrupting chemicals (EDCs) in waters.

PubMed

Chen, Wei; Pan, Suhong; Cheng, Hao; Sweetman, Andrew J; Zhang, Hao; Jones, Kevin C

2018-06-15

A passive water sampler based on the diffusive gradients in thin-films (DGT) technique was developed and tested for 3 groups of endocrine disrupting chemicals (EDCs, including oestrogens, alkyl-phenols and bisphenols). Three different resins (hydrophilic-lipophilic-balanced (HLB), XAD18 and Strata-XL-A (SXLA)) were investigated for their suitability as the binding phase for DGT devices. Laboratory tests across a range of pH (3.5-9.5), ionic strength (0.001-0.5 M) and dissolved organic matter concentration (0-20 mg L -1 ) showed HLB and XAD18-DGT devices were more stable compared to SXLA-DGT. HLB-DGT and XAD18-DGT accumulated test chemicals with time consistent with theoretical predictions, while SXLA-DGT accumulated reduced amounts of chemical. DGT performance was also compared in field deployments up to 28 days, alongside conventional active sampling at a wastewater treatment plant. Uptake was linear to the samplers over 18 days, and then began to plateau/decline, indicating the maximum deployment time in those conditions. Concentrations provided by the DGT samplers compared well with those provided by auto-samplers. DGT integrated concentrations over the deployment period in a way that grab-sampling cannot. The advantages of the DGT sampler over active sampling include: low cost, ease of simultaneous multi-site deployment, in situ analyte pre-concentration and reduction of matrix interferences compared with conventional methods. Compared to other passive sampler designs, DGT uptake is independent of flow rate and therefore allows direct derivation of field concentrations from measured compound diffusion coefficients. This passive DGT sampler therefore constitutes a viable and attractive alternative to conventional grab and active water sampling for routine monitoring of selected EDCs. Copyright © 2018 Elsevier Ltd. All rights reserved.

Affinity learning with diffusion on tensor product graph.

PubMed

Yang, Xingwei; Prasad, Lakshman; Latecki, Longin Jan

2013-01-01

In many applications, we are given a finite set of data points sampled from a data manifold and represented as a graph with edge weights determined by pairwise similarities of the samples. Often the pairwise similarities (which are also called affinities) are unreliable due to noise or due to intrinsic difficulties in estimating similarity values of the samples. As observed in several recent approaches, more reliable similarities can be obtained if the original similarities are diffused in the context of other data points, where the context of each point is a set of points most similar to it. Compared to the existing methods, our approach differs in two main aspects. First, instead of diffusing the similarity information on the original graph, we propose to utilize the tensor product graph (TPG) obtained by the tensor product of the original graph with itself. Since TPG takes into account higher order information, it is not a surprise that we obtain more reliable similarities. However, it comes at the price of higher order computational complexity and storage requirement. The key contribution of the proposed approach is that the information propagation on TPG can be computed with the same computational complexity and the same amount of storage as the propagation on the original graph. We prove that a graph diffusion process on TPG is equivalent to a novel iterative algorithm on the original graph, which is guaranteed to converge. After its convergence we obtain new edge weights that can be interpreted as new, learned affinities. We stress that the affinities are learned in an unsupervised setting. We illustrate the benefits of the proposed approach for data manifolds composed of shapes, images, and image patches on two very different tasks of image retrieval and image segmentation. With learned affinities, we achieve the bull's eye retrieval score of 99.99 percent on the MPEG-7 shape dataset, which is much higher than the state-of-the-art algorithms. When the data- points are image patches, the NCut with the learned affinities not only significantly outperforms the NCut with the original affinities, but it also outperforms state-of-the-art image segmentation methods.

Influence of structure properties on protein-protein interactions-QSAR modeling of changes in diffusion coefficients.

PubMed

Bauer, Katharina Christin; Hämmerling, Frank; Kittelmann, Jörg; Dürr, Cathrin; Görlich, Fabian; Hubbuch, Jürgen

2017-04-01

Information about protein-protein interactions provides valuable knowledge about the phase behavior of protein solutions during the biopharmaceutical production process. Up to date it is possible to capture their overall impact by an experimentally determined potential of mean force. For the description of this potential, the second virial coefficient B22, the diffusion interaction parameter kD, the storage modulus G', or the diffusion coefficient D is applied. In silico methods do not only have the potential to predict these parameters, but also to provide deeper understanding of the molecular origin of the protein-protein interactions by correlating the data to the protein's three-dimensional structure. This methodology furthermore allows a lower sample consumption and less experimental effort. Of all in silico methods, QSAR modeling, which correlates the properties of the molecule's structure with the experimental behavior, seems to be particularly suitable for this purpose. To verify this, the study reported here dealt with the determination of a QSAR model for the diffusion coefficient of proteins. This model consisted of diffusion coefficients for six different model proteins at various pH values and NaCl concentrations. The generated QSAR model showed a good correlation between experimental and predicted data with a coefficient of determination R2 = 0.9 and a good predictability for an external test set with R2 = 0.91. The information about the properties affecting protein-protein interactions present in solution was in agreement with experiment and theory. Furthermore, the model was able to give a more detailed picture of the protein properties influencing the diffusion coefficient and the acting protein-protein interactions. Biotechnol. Bioeng. 2017;114: 821-831. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Reconstruction of stochastic temporal networks through diffusive arrival times

NASA Astrophysics Data System (ADS)

Li, Xun; Li, Xiang

2017-06-01

Temporal networks have opened a new dimension in defining and quantification of complex interacting systems. Our ability to identify and reproduce time-resolved interaction patterns is, however, limited by the restricted access to empirical individual-level data. Here we propose an inverse modelling method based on first-arrival observations of the diffusion process taking place on temporal networks. We describe an efficient coordinate-ascent implementation for inferring stochastic temporal networks that builds in particular but not exclusively on the null model assumption of mutually independent interaction sequences at the dyadic level. The results of benchmark tests applied on both synthesized and empirical network data sets confirm the validity of our algorithm, showing the feasibility of statistically accurate inference of temporal networks only from moderate-sized samples of diffusion cascades. Our approach provides an effective and flexible scheme for the temporally augmented inverse problems of network reconstruction and has potential in a broad variety of applications.

Two-Photon Laser-Induced Fluorescence O and N Atoms for the Study of Heterogeneous Catalysis in a Diffusion Reactor

NASA Technical Reports Server (NTRS)

Pallix, Joan B.; Copeland, Richard A.; Arnold, James O. (Technical Monitor)

1995-01-01

Advanced laser-based diagnostics have been developed to examine catalytic effects and atom/surface interactions on thermal protection materials. This study establishes the feasibility of using laser-induced fluorescence for detection of O and N atom loss in a diffusion tube to measure surface catalytic activity. The experimental apparatus is versatile in that it allows fluorescence detection to be used for measuring species selective recombination coefficients as well as diffusion tube and microwave discharge diagnostics. Many of the potential sources of error in measuring atom recombination coefficients by this method have been identified and taken into account. These include scattered light, detector saturation, sample surface cleanliness, reactor design, gas pressure and composition, and selectivity of the laser probe. Recombination coefficients and their associated errors are reported for N and O atoms on a quartz surface at room temperature.

Intercomparison of formaldehyde measurements in the tropical atmosphere

NASA Astrophysics Data System (ADS)

Trapp, Dorothea; De Serves, Claes

An intercomparison of formaldehyde measurements at low concentrations ( < 2.0 ppbv) was performed during the ASTROS '93 field campaign in Venezuela (Atmospheric Studies in the TROpical Savannah, September 1993). Formaldehyde was collected and measured by two different techniques: a porous membrane diffusion scrubber with fluorescent detection of the Hantzsch reaction product, and DNPH-traps (2,4-dinitrophenylhydrazine) followed by high performance liquid chromatography with a UV/VIS absorption detector. The time resolution for the diffusion scrubber instrument was 5 min while the DNPH-tr;ap samples were integrated over 30-60 min. The measured concentrations range from the detection limits (0.045 ppbv for the diffusion scrubber, 0.1 ppbv for the DNPH-traps) up to 2 ppbv. The correlation coefficient between the two techniques is r2 = 0.80 (n = 48) and the slope equals unity (1.02 ± 0.03). Both methods are found to be suitable for field experiments in the low ppbv range of formaldehyde.

Reconstruction of stochastic temporal networks through diffusive arrival times

PubMed Central

Li, Xun; Li, Xiang

2017-01-01

Temporal networks have opened a new dimension in defining and quantification of complex interacting systems. Our ability to identify and reproduce time-resolved interaction patterns is, however, limited by the restricted access to empirical individual-level data. Here we propose an inverse modelling method based on first-arrival observations of the diffusion process taking place on temporal networks. We describe an efficient coordinate-ascent implementation for inferring stochastic temporal networks that builds in particular but not exclusively on the null model assumption of mutually independent interaction sequences at the dyadic level. The results of benchmark tests applied on both synthesized and empirical network data sets confirm the validity of our algorithm, showing the feasibility of statistically accurate inference of temporal networks only from moderate-sized samples of diffusion cascades. Our approach provides an effective and flexible scheme for the temporally augmented inverse problems of network reconstruction and has potential in a broad variety of applications. PMID:28604687

Dual Contrast CT Method Enables Diagnostics of Cartilage Injuries and Degeneration Using a Single CT Image.

PubMed

Saukko, Annina E A; Honkanen, Juuso T J; Xu, Wujun; Väänänen, Sami P; Jurvelin, Jukka S; Lehto, Vesa-Pekka; Töyräs, Juha

2017-12-01

Cartilage injuries may be detected using contrast-enhanced computed tomography (CECT) by observing variations in distribution of anionic contrast agent within cartilage. Currently, clinical CECT enables detection of injuries and related post-traumatic degeneration based on two subsequent CT scans. The first scan allows segmentation of articular surfaces and lesions while the latter scan allows evaluation of tissue properties. Segmentation of articular surfaces from the latter scan is difficult since the contrast agent diffusion diminishes the image contrast at surfaces. We hypothesize that this can be overcome by mixing anionic contrast agent (ioxaglate) with bismuth oxide nanoparticles (BINPs) too large to diffuse into cartilage, inducing a high contrast at the surfaces. Here, a dual contrast method employing this mixture is evaluated by determining the depth-wise X-ray attenuation profiles in intact, enzymatically degraded, and mechanically injured osteochondral samples (n = 3 × 10) using a microCT immediately and at 45 min after immersion in contrast agent. BiNPs were unable to diffuse into cartilage, producing high contrast at articular surfaces. Ioxaglate enabled the detection of enzymatic and mechanical degeneration. In conclusion, the dual contrast method allowed detection of injuries and degeneration simultaneously with accurate cartilage segmentation using a single scan conducted at 45 min after contrast agent administration.

Room-temperature detection of mobile impurities in compound semiconductors by transient ion drift

NASA Astrophysics Data System (ADS)

Lyubomirsky, Igor; Rabinal, M. K.; Cahen, David

1997-05-01

We show that the transient ion drift (TID) method, which is based on recording junction capacitance under constant reverse bias [A. Zamouche, T. Heiser, and A. Mesli, Appl. Phys. Lett. 66, 631 (1995)], can be used not only for measurements of the diffusion coefficient of mobile impurities, but also to estimate the concentration of mobile species as part of the total dopant density. This is illustrated for CdTe, contaminated by Cu, and intentionally doped by Li or Ag and for CuInSe2. We show also that, with some restrictions, the TID method can be used if the mobile ions are major dopants. This is demonstrated using Schottky barriers on CdTe, and p-n junction devices in (Hg,Cd)Te, and CuInSe2. The values that we obtain for the diffusion coefficients (for Li, Ag, and Cu in CdTe and for Cu in CuInSe2) agree well with measured or extrapolated values, obtained by other methods, as reported in the literature. Furthermore, we could distinguish between diffusion and chemical reactions of dopants, as demonstrated for the case of Cu in CdTe and Ag-doped (Hg,Cd)Te. In the former case this allows us to separate copper-free from contaminated CdTe samples.

Noncontact blood species identification method based on spatially resolved near-infrared transmission spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Linna; Sun, Meixiu; Wang, Zhennan; Li, Hongxiao; Li, Yingxin; Li, Gang; Lin, Ling

2017-09-01

The inspection and identification of whole blood are crucially significant for import-export ports and inspection and quarantine departments. In our previous research, we proved Near-Infrared diffuse transmitted spectroscopy method was potential for noninvasively identifying three blood species, including macaque, human and mouse, with samples measured in the cuvettes. However, in open sampling cases, inspectors may be endangered by virulence factors in blood samples. In this paper, we explored the noncontact measurement for classification, with blood samples measured in the vacuum blood vessels. Spatially resolved near-infrared spectroscopy was used to improve the prediction accuracy. Results showed that the prediction accuracy of the model built with nine detection points was more than 90% in identification between all five species, including chicken, goat, macaque, pig and rat, far better than the performance of the model built with single-point spectra. The results fully supported the idea that spatially resolved near-infrared spectroscopy method can improve the prediction ability, and demonstrated the feasibility of this method for noncontact blood species identification in practical applications.

Development of a passive sampler for gaseous mercury

NASA Astrophysics Data System (ADS)

Gustin, M. S.; Lyman, S. N.; Kilner, P.; Prestbo, E.

2011-10-01

Here we describe work toward development of the components of a cost effective passive sampling system for gaseous Hg that could be broadly deployed by nontechnical staff. The passive sampling system included an external shield to reduce turbulence and exposure to precipitation and dust, a diffusive housing that directly protects the collection surface during deployment and handling, and a collection surface. A protocol for cleaning and deploying the sampler and an analytical method were developed. Our final design consisted of a polycarbonate external shield enclosing a custom diffusive housing made from expanded PTFE tubing. Two collection surfaces were investigated, gold sputter-coated quartz plates and silver wires. Research showed the former would require extensive quality control for use, while the latter had interferences with other atmosphere constituents. Although the gold surface exhibited the best performance over space and time, gradual passivation would limit reuse. For both surfaces lack of contamination during shipping, deployment and storage indicated that the handling protocols developed worked well with nontechnical staff. We suggest that the basis for this passive sampling system is sound, but further exploration and development of a reliable collection surface is needed.

Thermophysical properties of heat-treated U-7Mo/Al dispersion fuel

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

Cho, Tae Won; Kim, Yeon Soo; Park, Jong Man

In this study, the effects of interaction layer (IL) on thermophysical properties of U-7Mo/Al dispersion fuel were examined. Microstructural analyses revealed that ILs were formed uniformly on U-Mo particles during heating of U-7Mo/Al samples. The IL volume fraction was measured by applying image analysis methods. The uranium loadings of the samples were calculated based on the measured meat densities at 298 K. The density of the IL was estimated by using the measured density and IL volume fraction. Thermal diffusivity and heat capacity of the samples after the heat treatment were measured as a function of temperature and volume fractionsmore » of U-Mo and IL. The thermal conductivity of IL-formed U-7Mo/Al was derived by using the measured thermal diffusivity, heat capacity, and density. The thermal conductivity obtained in the present study was lower than that predicted by the modified Hashin–Shtrikman model due to the theoretical model’s inability to consider the thermal resistance at interfaces between the meat constituents.« less

Thermal diffusivity measurement of GaAs/AlGaAs thin-film structures

NASA Astrophysics Data System (ADS)

Chen, G.; Tien, C. L.; Wu, X.; Smith, J. S.

1994-05-01

This work develops a new measurement technique that determines the thermal diffusivity of thin films in both parallel and perpendicular directions, and presents experimental results on the thermal diffusivity of GaAs/AlGaAs-based thin-film structures. In the experiment, a modulated laser source heats up the sample and a fast-response temperature sensor patterned directly on the sample picks up the thermal response. From the phase delay between the heating source and the temperature sensor, the thermal diffusivity in either the parallel or perpendicular direction is obtained depending on the experimental configuration. The experiment is performed on a molecular-beam-epitaxy grown vertical-cavity surface-emitting laser (VCSEL) structure. The substrates of the samples are etched away to eliminate the effects of the interface between the film and the substrate. The results show that the thermal diffusivity of the VCSEL structure is 5-7 times smaller than that of its corresponding bulk media. The experiments also provide evidence on the anisotropy of thermal diffusivity caused solely by the effects of interfaces and boundaries of thin films.

Cytotoxicity of Light-Cured Dental Materials according to Different Sample Preparation Methods

PubMed Central

Lee, Myung-Jin; Kim, Mi-Joo; Kwon, Jae-Sung; Lee, Sang-Bae; Kim, Kwang-Mahn

2017-01-01

Dental light-cured resins can undergo different degrees of polymerization when applied in vivo. When polymerization is incomplete, toxic monomers may be released into the oral cavity. The present study assessed the cytotoxicity of different materials, using sample preparation methods that mirror clinical conditions. Composite and bonding resins were used and divided into four groups according to sample preparation method: uncured; directly cured samples, which were cured after being placed on solidified agar; post-cured samples were polymerized before being placed on agar; and “removed unreacted layer” samples had their oxygen-inhibition layer removed after polymerization. Cytotoxicity was evaluated using an agar diffusion test, MTT assay, and confocal microscopy. Uncured samples were the most cytotoxic, while removed unreacted layer samples were the least cytotoxic (p < 0.05). In the MTT assay, cell viability increased significantly in every group as the concentration of the extracts decreased (p < 0.05). Extracts from post-cured and removed unreacted layer samples of bonding resin were less toxic than post-cured and removed unreacted layer samples of composite resin. Removal of the oxygen-inhibition layer resulted in the lowest cytotoxicity. Clinicians should remove unreacted monomers on the resin surface immediately after restoring teeth with light-curing resin to improve the restoration biocompatibility. PMID:28772647

The Efficacy of Consensus Tree Methods for Summarizing Phylogenetic Relationships from a Posterior Sample of Trees Estimated from Morphological Data.

PubMed

O'Reilly, Joseph E; Donoghue, Philip C J

2018-03-01

Consensus trees are required to summarize trees obtained through MCMC sampling of a posterior distribution, providing an overview of the distribution of estimated parameters such as topology, branch lengths, and divergence times. Numerous consensus tree construction methods are available, each presenting a different interpretation of the tree sample. The rise of morphological clock and sampled-ancestor methods of divergence time estimation, in which times and topology are coestimated, has increased the popularity of the maximum clade credibility (MCC) consensus tree method. The MCC method assumes that the sampled, fully resolved topology with the highest clade credibility is an adequate summary of the most probable clades, with parameter estimates from compatible sampled trees used to obtain the marginal distributions of parameters such as clade ages and branch lengths. Using both simulated and empirical data, we demonstrate that MCC trees, and trees constructed using the similar maximum a posteriori (MAP) method, often include poorly supported and incorrect clades when summarizing diffuse posterior samples of trees. We demonstrate that the paucity of information in morphological data sets contributes to the inability of MCC and MAP trees to accurately summarise of the posterior distribution. Conversely, majority-rule consensus (MRC) trees represent a lower proportion of incorrect nodes when summarizing the same posterior samples of trees. Thus, we advocate the use of MRC trees, in place of MCC or MAP trees, in attempts to summarize the results of Bayesian phylogenetic analyses of morphological data.

The Efficacy of Consensus Tree Methods for Summarizing Phylogenetic Relationships from a Posterior Sample of Trees Estimated from Morphological Data

PubMed Central

O’Reilly, Joseph E; Donoghue, Philip C J

2018-01-01

Abstract Consensus trees are required to summarize trees obtained through MCMC sampling of a posterior distribution, providing an overview of the distribution of estimated parameters such as topology, branch lengths, and divergence times. Numerous consensus tree construction methods are available, each presenting a different interpretation of the tree sample. The rise of morphological clock and sampled-ancestor methods of divergence time estimation, in which times and topology are coestimated, has increased the popularity of the maximum clade credibility (MCC) consensus tree method. The MCC method assumes that the sampled, fully resolved topology with the highest clade credibility is an adequate summary of the most probable clades, with parameter estimates from compatible sampled trees used to obtain the marginal distributions of parameters such as clade ages and branch lengths. Using both simulated and empirical data, we demonstrate that MCC trees, and trees constructed using the similar maximum a posteriori (MAP) method, often include poorly supported and incorrect clades when summarizing diffuse posterior samples of trees. We demonstrate that the paucity of information in morphological data sets contributes to the inability of MCC and MAP trees to accurately summarise of the posterior distribution. Conversely, majority-rule consensus (MRC) trees represent a lower proportion of incorrect nodes when summarizing the same posterior samples of trees. Thus, we advocate the use of MRC trees, in place of MCC or MAP trees, in attempts to summarize the results of Bayesian phylogenetic analyses of morphological data. PMID:29106675

Neutral solute transport across osteochondral interface: A finite element approach.

PubMed

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

2016-12-08

Investigation of the solute transfer across articular cartilage and subchondral bone plate could nurture the understanding of the mechanisms of osteoarthritis (OA) progression. In the current study, we approached the transport of neutral solutes in human (slight OA) and equine (healthy) samples using both computed tomography and biphasic-solute finite element modeling. We developed a multi-zone biphasic-solute finite element model (FEM) accounting for the inhomogeneity of articular cartilage (superficial, middle and deep zones) and subchondral bone plate. Fitting the FEM model to the concentration-time curves of the cartilage and the equilibrium concentration of the subchondral plate/calcified cartilage enabled determination of the diffusion coefficients in the superficial, middle and deep zones of cartilage and subchondral plate. We found slightly higher diffusion coefficients for all zones in the human samples as compared to the equine samples. Generally the diffusion coefficient in the superficial zone of human samples was about 3-fold higher than the middle zone, the diffusion coefficient of the middle zone was 1.5-fold higher than that of the deep zone, and the diffusion coefficient of the deep zone was 1.5-fold higher than that of the subchondral plate/calcified cartilage. Those ratios for equine samples were 9, 2 and 1.5, respectively. Regardless of the species considered, there is a gradual decrease of the diffusion coefficient as one approaches the subchondral plate, whereas the rate of decrease is dependent on the type of species. Copyright © 2016 Elsevier Ltd. All rights reserved.

Digital-computer normal shock position and restart control of a Mach 2.5 axisymmetric mixed-compression inlet

NASA Technical Reports Server (NTRS)

Neiner, G. H.; Cole, G. L.; Arpasi, D. J.

1972-01-01

Digital computer control of a mixed-compression inlet is discussed. The inlet was terminated with a choked orifice at the compressor face station to dynamically simulate a turbojet engine. Inlet diffuser exit airflow disturbances were used. A digital version of a previously tested analog control system was used for both normal shock and restart control. Digital computer algorithms were derived using z-transform and finite difference methods. Using a sample rate of 1000 samples per second, the digital normal shock and restart controls essentially duplicated the inlet analog computer control results. At a sample rate of 100 samples per second, the control system performed adequately but was less stable.

The evolution, argon diffusion properties, and 40Argon/39Argon ages of detachment-related fault rocks in the footwalls of the Whipple and Chemehuevi Mountains, Southeastern, California

NASA Astrophysics Data System (ADS)

Hazelton, Garrett Blaine

Furnace and laser spot methods of obtaining 40Ar/ 39Ar ages from fine-grained cataclasite and pseudotachylyte are compared and evaluated in terms of protolith, faulting, and cooling age components. These methods are applied to fault rocks from outcrop-scale, small-displacement, brittle detachment faults (minidetachments or MDF's) that cut mid-crustal rocks from the footwalls of brittle, large-displacement (>20 km), top-to-the-NE, low-angle normal (i.e., detachment) faults in the Whipple (WM) and Chemehuevi Mountains (CM), SE California. Mid-Tertiary extension affected both areas from ˜26 Ma to ˜11--8 Ma. Rapid footwall cooling began at ˜22 Ma. WM-CM furnace ages range from 22.0 +/- 1.3 to 14.6 +/- 0.6 Ma, CM laser ages from 29.9 +/- 3.7 to 15.7 +/- 1.2 Ma. These ages are younger than host protolith formation and record detachment faulting or footwall cooling. At least 50 MDF's were mapped; they typically cut all basement fabrics. Brittle MDFand detacriment-generated fault rocks are texturally similar, but some in the WM are plastically deformed. Fault rock matrix was mechanically extracted, optically studied, probed to characterize bulk mineralogy. K-feldspar grains are the primary source of fault rock-derived Ar. The laser provides high spatial resolution and the furnace method yields the Ar diffusion properties of fault rock matrix. Both methods yield reproducible results, but ages are difficult to interpret without an established geothermochronologic context. Fault rock 40Ar/39Ar measurements reveal: (1) closure temperatures of 140--280°C (at 100°C/Myr); (2) activation energies ranging from 33--50 kcal/mol; (3) individual K-feldspar grain ages of 55--5 Ma; (4) unanticipated and poorly understood low-temperature diffusion behavior; (5) little difference between pseudotachylyte and cataclasite matrix diffusion and age results; (6) that pre-analysis sample characterization is requisite. The diffusion properties of prepared glasses (47--84% SiO2) were also measured. Those with fault rock-like compositions yield activation energies of 25--39 kca/mol and average diffusivity of 4.63 · 10-3 cm2/sec. Network-forming Ca, Fe, and Mg partly cause certain low-temperature diffusion behaviors that, if unaccounted for, could allow an underestimation of Ar diffusion rates in some glass-bearing materials. Numerical models show that ambient temperature, grain size, and cooling rate strongly influence the Ar retention rate and interpretability of fault rock 40Ar/39Ar ages.

Thermal diffusivity of diamond nanowires studied by laser assisted atom probe tomography

NASA Astrophysics Data System (ADS)

Arnoldi, L.; Spies, M.; Houard, J.; Blum, I.; Etienne, A.; Ismagilov, R.; Obraztsov, A.; Vella, A.

2018-04-01

The thermal properties of single-crystal diamond nanowires (NWs) have been calculated from first principles but have never been measured experimentally. Taking advantage of the sharp geometry of samples analyzed in a laser assisted atom probe, this technique is used to measure the thermal diffusivity of a single NW at low temperature (<300 K). The obtained value is in good agreement with the ab-initio calculations and confirms that thermal diffusivity in nanoscale samples is lower than in bulk samples. The results impact the design and integration of diamond NWs and nanoneedles in nanoscale devices for heat dissipation.

Growth and antimicrobial studies of γ-glycine crystal grown using CuSO4

NASA Astrophysics Data System (ADS)

Vijayalakshmi, V.; Dhanasekaran, P.

2018-05-01

In the current work single crystals of pure and 1M of CuSO4-added glycine were grown by slow evaporation method and its optical and antimicrobial properties were studied. The Polymorph of glycine transforms from a-glycine to γ-glycine due to the incorporation of CuSO4 on glycine was affirmed by the PXRD and FTIR studies. The impact of CuSO4 on the antimicrobial action of the grown samples was deliberate by utilizing the agar diffusion method.

Dispersal of Transgenes through Maize Seed Systems in Mexico

PubMed Central

Dyer, George A.; Serratos-Hernández, J. Antonio; Perales, Hugo R.; Gepts, Paul; Piñeyro-Nelson, Alma; Chávez, Angeles; Salinas-Arreortua, Noé; Yúnez-Naude, Antonio; Taylor, J. Edward; Alvarez-Buylla, Elena R.

2009-01-01

Objectives Current models of transgene dispersal focus on gene flow via pollen while neglecting seed, a vital vehicle for gene flow in centers of crop origin and diversity. We analyze the dispersal of maize transgenes via seeds in Mexico, the crop's cradle. Methods We use immunoassays (ELISA) to screen for the activity of recombinant proteins in a nationwide sample of farmer seed stocks. We estimate critical parameters of seed population dynamics using household survey data and combine these estimates with analytical results to examine presumed sources and mechanisms of dispersal. Results Recombinant proteins Cry1Ab/Ac and CP4/EPSPS were found in 3.1% and 1.8% of samples, respectively. They are most abundant in southeast Mexico but also present in the west-central region. Diffusion of seed and grain imported from the United States might explain the frequency and distribution of transgenes in west-central Mexico but not in the southeast. Conclusions Understanding the potential for transgene survival and dispersal should help design methods to regulate the diffusion of germplasm into local seed stocks. Further research is needed on the interactions between formal and informal seed systems and grain markets in centers of crop origin and diversification. PMID:19503610

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.

Development, Characterization, and Resultant Properties of a Carbon, Boron, and Chromium Ternary Diffusion System

NASA Astrophysics Data System (ADS)

Domec, Brennan S.

In today's industry, engineering materials are continuously pushed to the limits. Often, the application only demands high-specification properties in a narrowly-defined region of the material, such as the outermost surface. This, in combination with the economic benefits, makes case hardening an attractive solution to meet industry demands. While case hardening has been in use for decades, applications demanding high hardness, deep case depth, and high corrosion resistance are often under-served by this process. Instead, new solutions are required. The goal of this study is to develop and characterize a new borochromizing process applied to a pre-carburized AISI 8620 alloy steel. The process was successfully developed using a combination of computational simulations, calculations, and experimental testing. Process kinetics were studied by fitting case depth measurement data to Fick's Second Law of Diffusion and an Arrhenius equation. Results indicate that the kinetics of the co-diffusion method are unaffected by the addition of chromium to the powder pack. The results also show that significant structural degradation of the case occurs when chromizing is applied sequentially to an existing boronized case. The amount of degradation is proportional to the chromizing parameters. Microstructural evolution was studied using metallographic methods, simulation and computational calculations, and analytical techniques. While the co-diffusion process failed to enrich the substrate with chromium, significant enrichment is obtained with the sequential diffusion process. The amount of enrichment is directly proportional to the chromizing parameters with higher parameters resulting in more enrichment. The case consists of M7C3 and M23C6 carbides nearest the surface, minor amounts of CrB, and a balance of M2B. Corrosion resistance was measured with salt spray and electrochemical methods. These methods confirm the benefit of surface enrichment by chromium in the sequential diffusion method with corrosion resistance increasing directly with chromium concentration. The results also confirm the deleterious effect of surface-breaking case defects and the need to reduce or eliminate them. The best combination of microstructural integrity, mean surface hardness, effective case depth, and corrosion resistance is obtained in samples sequentially boronized and chromized at 870°C for 6hrs. Additional work is required to further optimize process parameters and case properties.

Enhanced amperometric detection of metronidazole in drug formulations and urine samples based on chitosan protected tetrasulfonated copper phthalocyanine thin-film modified glassy carbon electrode.

PubMed

Meenakshi, S; Pandian, K; Jayakumari, L S; Inbasekaran, S

2016-02-01

An enhanced electrocatalytic reduction of metronidazole antibiotic drug molecule using chitosan protected tetrasulfonated copper phthalocyanine (Chit/CuTsPc) thin-film modified glassy carbon electrode (GCE) has been developed. An irreversible reduction occurs at -0.47V (vs. Ag/AgCl) using Chit/CuTsPc modified GCE. A maximum peak current value is obtained at pH1 and the electrochemical reduction reaction is a diffusion controlled one. The detection limit is found to be 0.41nM from differential pulse voltammetry (DPV) method. This present investigation method is adopted for electrochemical detection of metronidazole in drug formulation and urine samples by using DPV method. Copyright © 2015 Elsevier B.V. All rights reserved.

Diffusion of volatile organics through porous snow: impact of surface adsorption and grain boundaries

NASA Astrophysics Data System (ADS)

Bartels-Rausch, T.; Wren, S. N.; Schreiber, S.; Riche, F.; Schneebeli, M.; Ammann, M.

2013-03-01

Release of trace gases from surface snow on Earth drives atmospheric chemistry, especially in the polar regions. The gas-phase diffusion of methanol and of acetone through the interstitial air of snow was investigated in a well-controlled laboratory study in the temperature range of 223 to 263 K. The aim of this study was to evaluate how the structure of the snowpack, the interaction of the trace gases with the snow surface, and the grain boundaries influence the diffusion on timescales up to 1 h. The diffusive loss of these two volatile organics into packed snow samples was measured using a chemical ionization mass spectrometer. The structure of the snow was analyzed by means of X-ray computed micro-tomography. The observed diffusion profiles could be well described based on gas-phase diffusion and the known structure of the snow sample at temperatures ≥ 253 K. At colder temperatures surface interactions start to dominate the diffusive transport. Parameterizing these interactions in terms of adsorption to the solid ice surface, i.e. using temperature dependent air-ice partitioning coefficients, better described the observed diffusion profiles than the use of air-liquid partitioning coefficients. No changes in the diffusive fluxes were observed by increasing the number of grain boundaries in the snow sample by a factor of 7, indicating that for these volatile organic trace gases, uptake into grain boundaries does not play a role on the timescale of diffusion through porous surface snow. In conclusion, we have shown that the diffusivity can be predicted when the structure of the snowpack and the partitioning of the trace gas to solid ice is known.

Highly reproducible alkali metal doping system for organic crystals through enhanced diffusion of alkali metal by secondary thermal activation.

PubMed

Lee, Jinho; Park, Chibeom; Song, Intek; Koo, Jin Young; Yoon, Taekyung; Kim, Jun Sung; Choi, Hee Cheul

2018-05-16

In this paper, we report an efficient alkali metal doping system for organic single crystals. Our system employs an enhanced diffusion method for the introduction of alkali metal into organic single crystals by controlling the sample temperature to induce secondary thermal activation. Using this system, we achieved intercalation of potassium into picene single crystals with closed packed crystal structures. Using optical microscopy and Raman spectroscopy, we confirmed that the resulting samples were uniformly doped and became K 2 picene single crystal, while only parts of the crystal are doped and transformed into K 2 picene without secondary thermal activation. Moreover, using a customized electrical measurement system, the insulator-to-semiconductor transition of picene single crystals upon doping was confirmed by in situ electrical conductivity and ex situ temperature-dependent resistivity measurements. X-ray diffraction studies showed that potassium atoms were intercalated between molecular layers of picene, and doped samples did not show any KH- nor KOH-related peaks, indicating that picene molecules are retained without structural decomposition. During recent decades, tremendous efforts have been exerted to develop high-performance organic semiconductors and superconductors, whereas as little attention has been devoted to doped organic crystals. Our method will enable efficient alkali metal doping of organic crystals and will be a resource for future systematic studies on the electrical property changes of these organic crystals upon doping.

An accurate two-dimensional LBIC solution for bipolar transistors

NASA Astrophysics Data System (ADS)

Benarab, A.; Baudrand, H.; Lescure, M.; Boucher, J.

1988-05-01

A complete solution of the diffusion problem of carriers generated by a located light beam in the emitter and base region of a bipolar structure is presented. Green's function method and moment method are used to solve the 2-D diffusion equation in these regions. From the Green's functions solution of these equations, the light beam induced currents (LBIC) in the different junctions of the structure due to an extended generation represented by a rectangular light spot; are thus decided. The equations of these currents depend both on the parameters which characterise the structure, surface states, dimensions of the emitter and the base region, and the characteristics of the light spot, that is to say, the width and the wavelength. Curves illustrating the variation of the various LBIC in the base region junctions as a function of the impact point of the light beam ( x0) for different values of these parameters are discussed. In particular, the study of the base-emitter currents when the light beam is swept right across the sample illustrates clearly a good geometrical definition of the emitter region up to base end of the emitter-base space-charge areas and a "whirl" lateral diffusion beneath this region, (i.e. the diffusion of the generated carriers near the surface towards the horizontal base-emitter junction and those created beneath this junction towards the lateral (B-E) junctions).

Test-Retest Reliability of Diffusion Tensor Imaging in Huntington's Disease.

PubMed

Cole, James H; Farmer, Ruth E; Rees, Elin M; Johnson, Hans J; Frost, Chris; Scahill, Rachael I; Hobbs, Nicola Z

2014-03-21

Diffusion tensor imaging (DTI) has shown microstructural abnormalities in patients with Huntington's Disease (HD) and work is underway to characterise how these abnormalities change with disease progression. Using methods that will be applied in longitudinal research, we sought to establish the reliability of DTI in early HD patients and controls. Test-retest reliability, quantified using the intraclass correlation coefficient (ICC), was assessed using region-of-interest (ROI)-based white matter atlas and voxelwise approaches on repeat scan data from 22 participants (10 early HD, 12 controls). T1 data was used to generate further ROIs for analysis in a reduced sample of 18 participants. The results suggest that fractional anisotropy (FA) and other diffusivity metrics are generally highly reliable, with ICCs indicating considerably lower within-subject compared to between-subject variability in both HD patients and controls. Where ICC was low, particularly for the diffusivity measures in the caudate and putamen, this was partly influenced by outliers. The analysis suggests that the specific DTI methods used here are appropriate for cross-sectional research in HD, and give confidence that they can also be applied longitudinally, although this requires further investigation. An important caveat for DTI studies is that test-retest reliability may not be evenly distributed throughout the brain whereby highly anisotropic white matter regions tended to show lower relative within-subject variability than other white or grey matter regions.

On the design of experiments for determining ternary mixture free energies from static light scattering data using a nonlinear partial differential equation

PubMed Central

Wahle, Chris W.; Ross, David S.; Thurston, George M.

2012-01-01

We mathematically design sets of static light scattering experiments to provide for model-independent measurements of ternary liquid mixing free energies to a desired level of accuracy. A parabolic partial differential equation (PDE), linearized from the full nonlinear PDE [D. Ross, G. Thurston, and C. Lutzer, J. Chem. Phys. 129, 064106 (2008)10.1063/1.2937902], describes how data noise affects the free energies to be inferred. The linearized PDE creates a net of spacelike characteristic curves and orthogonal, timelike curves in the composition triangle, and this net governs diffusion of information coming from light scattering measurements to the free energy. Free energy perturbations induced by a light scattering perturbation diffuse along the characteristic curves and towards their concave sides, with a diffusivity that is proportional to the local characteristic curvature radius. Consequently, static light scattering can determine mixing free energies in regions with convex characteristic curve boundaries, given suitable boundary data. The dielectric coefficient is a Lyapunov function for the dynamical system whose trajectories are PDE characteristics. Information diffusion is heterogeneous and system-dependent in the composition triangle, since the characteristics depend on molecular interactions and are tangent to liquid-liquid phase separation coexistence loci at critical points. We find scaling relations that link free energy accuracy, total measurement time, the number of samples, and the interpolation method, and identify the key quantitative tradeoffs between devoting time to measuring more samples, or fewer samples more accurately. For each total measurement time there are optimal sample numbers beyond which more will not improve free energy accuracy. We estimate the degree to which many-point interpolation and optimized measurement concentrations can improve accuracy and save time. For a modest light scattering setup, a sample calculation shows that less than two minutes of measurement time is, in principle, sufficient to determine the dimensionless mixing free energy of a non-associating ternary mixture to within an integrated error norm of 0.003. These findings establish a quantitative framework for designing light scattering experiments to determine the Gibbs free energy of ternary liquid mixtures. PMID:22830693

Bayesian Scalar-on-Image Regression with Application to Association Between Intracranial DTI and Cognitive Outcomes

PubMed Central

Huang, Lei; Goldsmith, Jeff; Reiss, Philip T.; Reich, Daniel S.; Crainiceanu, Ciprian M.

2013-01-01

Diffusion tensor imaging (DTI) measures water diffusion within white matter, allowing for in vivo quantification of brain pathways. These pathways often subserve specific functions, and impairment of those functions is often associated with imaging abnormalities. As a method for predicting clinical disability from DTI images, we propose a hierarchical Bayesian “scalar-on-image” regression procedure. Our procedure introduces a latent binary map that estimates the locations of predictive voxels and penalizes the magnitude of effect sizes in these voxels, thereby resolving the ill-posed nature of the problem. By inducing a spatial prior structure, the procedure yields a sparse association map that also maintains spatial continuity of predictive regions. The method is demonstrated on a simulation study and on a study of association between fractional anisotropy and cognitive disability in a cross-sectional sample of 135 multiple sclerosis patients. PMID:23792220

Efficient and robust computation of PDF features from diffusion MR signal.

PubMed

Assemlal, Haz-Edine; Tschumperlé, David; Brun, Luc

2009-10-01

We present a method for the estimation of various features of the tissue micro-architecture using the diffusion magnetic resonance imaging. The considered features are designed from the displacement probability density function (PDF). The estimation is based on two steps: first the approximation of the signal by a series expansion made of Gaussian-Laguerre and Spherical Harmonics functions; followed by a projection on a finite dimensional space. Besides, we propose to tackle the problem of the robustness to Rician noise corrupting in-vivo acquisitions. Our feature estimation is expressed as a variational minimization process leading to a variational framework which is robust to noise. This approach is very flexible regarding the number of samples and enables the computation of a large set of various features of the local tissues structure. We demonstrate the effectiveness of the method with results on both synthetic phantom and real MR datasets acquired in a clinical time-frame.

Efficient computation of the Grünwald-Letnikov fractional diffusion derivative using adaptive time step memory

NASA Astrophysics Data System (ADS)

MacDonald, Christopher L.; Bhattacharya, Nirupama; Sprouse, Brian P.; Silva, Gabriel A.

2015-09-01

Computing numerical solutions to fractional differential equations can be computationally intensive due to the effect of non-local derivatives in which all previous time points contribute to the current iteration. In general, numerical approaches that depend on truncating part of the system history while efficient, can suffer from high degrees of error and inaccuracy. Here we present an adaptive time step memory method for smooth functions applied to the Grünwald-Letnikov fractional diffusion derivative. This method is computationally efficient and results in smaller errors during numerical simulations. Sampled points along the system's history at progressively longer intervals are assumed to reflect the values of neighboring time points. By including progressively fewer points backward in time, a temporally 'weighted' history is computed that includes contributions from the entire past of the system, maintaining accuracy, but with fewer points actually calculated, greatly improving computational efficiency.

Spectrally resolved visualization of fluorescent dyes permeating into skin

NASA Astrophysics Data System (ADS)

Maeder, Ulf; Bergmann, Thorsten; Beer, Sebastian; Burg, Jan Michael; Schmidts, Thomas; Runkel, Frank; Fiebich, Martin

2012-03-01

We present a spectrally resolved confocal imaging approach to qualitatively asses the overall uptake and the penetration depth of fluorescent dyes into biological tissue. We use a confocal microscope with a spectral resolution of 5 nm to measure porcine skin tissue after performing a Franz-Diffusion experiment with a submicron emulsion enriched with the fluorescent dye Nile Red. The evaluation uses linear unmixing of the dye and the tissue autofluorescence spectra. The results are combined with a manual segmentation of the skin's epidermis and dermis layers to assess the penetration behavior additionally to the overall uptake. The diffusion experiments, performed for 3h and 24h, show a 3-fold increased dye uptake in the epidermis and dermis for the 24h samples. As the method is based on spectral information it does not face the problem of superimposed dye and tissue spectra and therefore is more precise compared to intensity based evaluation methods.

Water of Hydration Dynamics in Minerals Gypsum and Bassanite: Ultrafast 2D IR Spectroscopy of Rocks.

PubMed

Yan, Chang; Nishida, Jun; Yuan, Rongfeng; Fayer, Michael D

2016-08-03

Water of hydration plays an important role in minerals, determining their crystal structures and physical properties. Here ultrafast nonlinear infrared (IR) techniques, two-dimensional infrared (2D IR) and polarization selective pump-probe (PSPP) spectroscopies, were used to measure the dynamics and disorder of water of hydration in two minerals, gypsum (CaSO4·2H2O) and bassanite (CaSO4·0.5H2O). 2D IR spectra revealed that water arrangement in freshly precipitated gypsum contained a small amount of inhomogeneity. Following annealing at 348 K, water molecules became highly ordered; the 2D IR spectrum became homogeneously broadened (motional narrowed). PSPP measurements observed only inertial orientational relaxation. In contrast, water in bassanite's tubular channels is dynamically disordered. 2D IR spectra showed a significant amount of inhomogeneous broadening caused by a range of water configurations. At 298 K, water dynamics cause spectral diffusion that sampled a portion of the inhomogeneous line width on the time scale of ∼30 ps, while the rest of inhomogeneity is static on the time scale of the measurements. At higher temperature, the dynamics become faster. Spectral diffusion accelerates, and a portion of the lower temperature spectral diffusion became motionally narrowed. At sufficiently high temperature, all of the dynamics that produced spectral diffusion at lower temperatures became motionally narrowed, and only homogeneous broadening and static inhomogeneity were observed. Water angular motions in bassanite exhibit temperature-dependent diffusive orientational relaxation in a restricted cone of angles. The experiments were made possible by eliminating the vast amount of scattered light produced by the granulated powder samples using phase cycling methods.

Crystal surface integrity and diffusion measurements on Earth and planetary materials

NASA Astrophysics Data System (ADS)

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

2016-09-01

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

Decorrelation-based viscosity measurement using phase-sensitive optical coherence tomography (Conference Presentation)

NASA Astrophysics Data System (ADS)

Blackburn, Brecken J.; Gu, Shi; Jenkins, Michael W.; Rollins, Andrew M.

2017-02-01

A robust method to measure viscosity of microquantities of biological samples, such as blood and mucus, could lead to a better understanding and diagnosis of diseases. Microsamples have presented persistent challenges to conventional rheology, which requires bulk quantities of a sample. Alternatively, fluid viscosity can be probed by monitoring microscale motion of particles. Here, we present a decorrelation-based method using M-mode phase-sensitive optical coherence tomography (OCT) to measure particle Brownian motion. This is similar to previous methods using laser speckle decorrelation but with sensitivity to nanometer-scale displacement. This allows for the measurement of decorrelation in less than 1 millisecond and significantly decreases sensitivity to bulk motion, thereby potentially enabling in vivo and in situ applications. From first principles, an analytical method is established using M-mode images obtained from a 47 kHz spectral-domain OCT system. A g(1) first-order autocorrelation is calculated from windows containing several pixels over a time frame of 200-1000 microseconds. Total imaging time is 500 milliseconds for averaging purposes. The autocorrelation coefficient over this short time frame decreases linearly and at a rate proportional to the diffusion constant of the particles, allowing viscosity to be calculated. In verification experiments using phantoms of microbeads in 200 µL glycerol-water mixtures, this method showed insensitivity to 2 mm/s lateral bulk motion and accurate viscosity measurements over a depth of 400 µm. In addition, the method measured a significant decrease of the apparent diffusion constant of soft tissue after formalin fixation, suggesting potential applications in mapping tissue stiffness.

Rep. Bill Nelson prepares to photograph samples of protein crystal growth

NASA Image and Video Library

1986-01-12

61C-05-036 (12-18 Jan. 1986) --- U.S. Representative Bill Nelson (Democrat - Florida), STS-61C payload specialist, prepares to photograph individual samples in the Handheld Protein Crystal Growth Experiment (HPCG) on Columbia's middeck. The operations involve the use of four pieces of equipment to attempt the growth of 60 different types of crystals -- 12 by means of dialysis and 48 via the vapor diffusion method. The photo was used by members of the STS-61C crew at their Jan. 23, 1986, Post-Flight Press Conference.

Experimental investigation of concentration and stable isotopes signals during organic contaminants back diffusion

NASA Astrophysics Data System (ADS)

Jin, Biao; Nika, Chrysanthi-Elisabeth; Rolle, Massimo

2017-04-01

Back diffusion of organic contaminants is often the cause of groundwater plumes' persistence and can significantly hinder cleanup interventions [1, 2]. In this study we perform a high-resolution investigation of back diffusion in a well-controlled flow-through laboratory setup. We considered cis-dichloroethene (cis-DCE) as model contaminant and we investigated its back diffusion from an impermeable source into a permeable saturated layer, in which advection-dominated flow conditions were established. We used concentration and stable chlorine isotope measurements to investigate the plumes originated by cis-DCE back diffusion in a series of flow-through experiments, performed in porous media with different hydraulic conductivity and at different seepage velocities (i.e., 0.4, 0.8 and 1.2 m/day). A two-centimeter thick agarose gel layer was placed at the bottom of the setup to simulate the source of cis-DCE back diffusion from an impervious layer. Intensive sampling (>1000 measurements) was carried out, including the withdrawal of aqueous samples at closely spaced (1 cm) outlet ports, as well as the high-resolution sampling of the source zone (agarose gel) at the end of each experiment. The transient behavior of the plumes originated by back diffusion was investigated by sampling the outlet ports at regular intervals in the experiments, each run for a total time corresponding to 15 pore volumes. The high-resolution sampling allowed us to resolve the spatial and temporal evolution of concentration and stable isotope gradients in the flow-through setup. In particular, steep concentration and stable isotope gradients were observed at the outlet. Lateral isotope gradients corresponding to chlorine isotope fractionation up to 20‰ were induced by cis-DCE back diffusion and subsequent advection-dominated transport in all flow-through experiments. A numerical modeling approach, tracking individually all chlorine isotopologues, based on the accurate parameterization of local dispersion, as well as on the values of aqueous diffusion coefficients and diffusion-induced isotope fractionation from a previous study [3], provided a good agreement with the experimental data. References [1] Mackay, D. M.; Cherry, J. A. Groundwater contamination: Pumpand-treat remediation. Environ. Sci. Technol. 1989, 23, 630-636. [2] Parker, B. L.; Chapman, S. W.; Guilbeault, M. A. Plume persistence caused by back diffusion from thin clay layers in a sand aquifer following TCE source-zone hydraulic isolation. J. Contam. Hydrol. 2008, 102, 19-19. [3] Jin, B., Rolle, M., Li, T., Haderlein, S.B., 2014. Diffusive fractionation of BTEX and chlorinated ethenes in aqueous solution: quantification of spatial isotope gradients. Environ. Sci. Technol. 48, 6141-6150.