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At least 1,711 records · Page 95
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DOE OSTI2022

Diffusion-assisted molecular beam epitaxy of CuCrO 2 thin films

Using molecular beam epitaxy (MBE) to grow multielemental oxides (MEOs) is generally challenging, partly due to difficulty in stoichiometry control. Occasionally, if one of the elements is volatile at the growth temperature, stoichiometry control can be greatly simplified using adsorption-controlled growth mode. Otherwise, stoichiometry control remains one of the main hurdles to achieving high-quality MEO film growths. Here, in this paper, we report another kind of self-limited growth mode, dubbed diffusion-assisted epitaxy, in which excess species diffuses into the substrate and leads to the desired stoichiometry, in a manner similar to the conventional adsorption-controlled epitaxy. Specifically, we demonstrate that using diffusion-assisted epitaxy, high-quality epitaxial CuCrO 2 films can be grown over a wide growth window without precise flux control using MBE.

36 MATERIALS SCIENCE↗
DOE OSTI2016

TU-H-CAMPUS-IeP2-01: Quantitative Evaluation of PROPELLER DWI Using QIBA Diffusion Phantom

Purpose: The purpose of this study is to determine the quantitative variability of apparent diffusion coefficient (ADC) values when varying imaging parameters in a diffusion-weighted (DW) fast spin echo (FSE) sequence with Periodically Rotated Overlapping ParallEL Lines with Enhanced Reconstruction (PROPELLER) k-space trajectory. Methods: Using a 3T MRI scanner, a NIST traceable, quantitative magnetic resonance imaging (MRI) diffusion phantom (High Precision Devices, Inc, Boulder, Colorado) consisting of 13 vials filled with various concentrations of polymer polyvinylpyrrolidone (PVP) in aqueous solution was imaged with a standard Quantitative Imaging Biomarkers Alliance (QIBA) DWI spin echo, echo planar imaging (SE EPI) acquisition. The same phantom was then imaged with a DWI PROPELLER sequence at varying echo train lengths (ETL) of 8, 20, and 32, as well as b-values of 400, 900, and 2000. QIBA DWI phantom analysis software was used to generate ADC maps and create region of interests (ROIs) for quantitative measurements of each vial. Mean and standard deviations of the ROIs were compared. Results: The SE EPI sequence generated ADC values that showed very good agreement with the known ADC values of the phantom (r2 = 0.9995, slope = 1.0061). The ADC values measured from the PROPELLER sequences were inflated, but were highly correlated with an r2 range from 0.8754 to 0.9880. The PROPELLER sequence with an ETL=20 and b-value of 0 and 2000 showed the closest agreement (r2 = 0.9034, slope = 0.9880). Conclusion: The DW PROPELLER sequence is promising for quantitative evaluation of ADC values. A drawback of the PROPELLER sequence is the longer acquisition time. The 180° refocusing pulses may also cause the observed increase in ADC values compared to the standard SE EPI DW sequence. However, the FSE sequence offers an advantage with in-plane motion and geometric distortion which will be investigated in future studies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

WE-FG-202-08: Assessment of Treatment Response Via Longitudinal Diffusion MRI On A MRI-Guided System: Initial Experience of Quantitative Analysis

Purpose: To report our initial experience of systematic monitoring treatment response using longitudinal diffusion MR images on a Co-60 MRI-guided radiotherapy system. Methods: Four patients, including 2 head-and-necks, 1 sarcoma and 1 GBM treated on a 0.35 Tesla MRI-guided treatment system, were analyzed. For each patient, 3D TrueFISP MRIs were acquired during CT simulation and before each treatment for treatment planning and patient setup purposes respectively. Additionally, 2D diffusion-weighted MR images (DWI) were acquired weekly throughout the treatment course. The gross target volume (GTV) and brainstem (as a reference structure) were delineated on weekly 3D TrueFISP MRIs to monitor anatomy changes, the contours were then transferred onto the corresponding DWI images after fusing with the weekly TrueFISP images. The patient-specific temporal and spatial variations during the entire treatment course, such as anatomic changes, target apparent diffusion coefficient (ADC) distribution were evaluated in a longitudinal pattern. Results: Routine MRI revealed progressive soft-tissue GTV volume changes (up to 53%) for the H&N cases during the treatment course of 5–7 weeks. Within the GTV, the mean ADC values varied from −44% (ADC decrease) to +26% (ADC increase) in a week. The gradual increase of ADC value was inversely associated with target volume variation for one H&N case. The maximal changes of mean ADC values within the brainstem were 5.3% for the H&N cases. For the large size sarcoma and GBM tumors, spatial heterogeneity and temporal variations were observed through longitudinal ADC analysis. Conclusion: In addition to the superior soft-tissue visualization, the 0.35T MR system on ViewRay showed the potential to quantitatively measure the ADC values for both tumor and normal tissues. For normal tissue that is minimally affected by radiation, its ADC values are reproducible. Tumor ADC values show temporal and spatial fluctuation that can be exploited for personalized adaptive therapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TH-AB-209-03: Overcoming Resolution Limitations of Diffuse Optical Signals in X-Ray Induced Luminescence (XIL) Imaging Via Selective Plane Illumination and 2D Deconvolution

Purpose: To evaluate the resolution and sensitivity of XIL imaging using a surface radiance simulation based on optical diffusion and maximum likelihood expectation maximization (MLEM) image reconstruction. XIL imaging seeks to determine the distribution of luminescent nanophosphors, which could be used as nanodosimeters or radiosensitizers. Methods: The XIL simulation generated a homogeneous slab with optical properties similar to tissue. X-ray activated nanophosphors were placed at 1.0 cm depth in the tissue in concentrations of 10{sup −4} g/mL in two volumes of 10 mm{sup 3} with varying separations between each other. An analytical optical diffusion model determined the surface radiance from the photon distributions generated at depth in the tissue by the nanophosphors. The simulation then determined the detected luminescent signal collected with a f/1.0 aperture lens and back-illuminated EMCCD camera. The surface radiance was deconvolved using a MLEM algorithm to estimate the nanophosphors distribution and the resolution. To account for both Poisson and Gaussian noise, a shifted Poisson imaging model was used in the deconvolution. The deconvolved distributions were fitted to a Gaussian after radial averaging to measure the full width at half maximum (FWHM) and the peak to peak distance between distributions was measured to determine the resolving power. Results: Simulated surface radiances for doses from 1mGy to 100 cGy were computed. Each image was deconvolved using 1000 iterations. At 1mGy, deconvolution reduced the FWHM of the nanophosphors distribution by 65% and had a resolving power is 3.84 mm. Decreasing the dose from 100 cGy to 1 mGy increased the FWHM by 22% but allowed for a dose reduction of a factor of 1000. Conclusion: Deconvolving the detected surface radiance allows for dose reduction while maintaining the resolution of the nanophosphors. It proves to be a useful technique in overcoming the resolution limitations of diffuse optical imaging in tissue. C. S. acknowledges support from the NIH National Institute of General Medical Sciences (Award number R25GM109439, Project Title: University of Chicago Initiative for Maximizing Student Development, IMSD). B. Q. and P. L. acknowledge support from NIH grant R01EB017293.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Diffusion in plasma: The Hall effect, compositional waves, and chemical spots

Diffusion caused by a combined influence of the electric current and Hall effect is considered, and it is argued that such diffusion can form inhomogeneities of a chemical composition in plasma. The considered mechanism can be responsible for the formation of element spots in laboratory and astrophysical plasmas. This current-driven diffusion can be accompanied by propagation of a particular type of waves in which the impurity number density oscillates alone. These compositional waves exist if the magnetic pressure in plasma is much greater than the gas pressure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Laser interferometric method for determining the carrier diffusion length in semiconductors

A new laser interferometric method for measuring the carrier diffusion length in semiconductors is proposed. The method is based on the interference–absorption interaction of two laser radiations in a semiconductor. Injected radiation generates additional carriers in a semiconductor, which causes a change in the material’s optical constants and modulation of the probing radiation passed through the sample. When changing the distance between carrier generation and probing points, a decrease in the carrier concentration, which depends on the diffusion length, is recorded. The diffusion length is determined by comparing the experimental and theoretical dependences of the probe signal on the divergence of the injector and probe beams. The method is successfully tested on semiconductor samples with different thicknesses and surface states and can be used in scientific research and the electronics industry.

36 MATERIALS SCIENCE↗
DOE OSTI2015

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

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

36 MATERIALS SCIENCE↗
DOE OSTI2018

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

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 when 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.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

AIR Algebraic Multigrid for a Space-Time Hybridizable Discontinuous Galerkin Discretization of Advection(-Diffusion)

This article investigates the efficiency, robustness, and scalability of approximate ideal restriction (AIR) algebraic multigrid as a preconditioner in the all-at-once solution of a space-time hybridizable discontinuous Galerkin discretization of advection-dominated flows. The motivation for this study is that the time-dependent advection-diffusion equation can be seen as a “steady” advection-diffusion problem in $(d+1)$-dimensions and AIR has been shown to be a robust solver for steady advection-dominated problems. Numerical examples demonstrate the effectiveness of AIR as a preconditioner for advection-diffusion problems on fixed and time-dependent domains, using both slab-by-slab and all-at-once space-time discretizations, and in the context of uniform and space-time adaptive mesh refinement. A closer look at the geometric coarsening structure that arises in AIR also explains why AIR can provide robust, scalable, space-time convergence on advective and hyperbolic problems, while most multilevel parallel-in-time schemes struggle with such problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Diffuse-Interface Capturing Methods for Compressible Two-Phase Flows

Simulation of compressible flows became a routine activity with the appearance of shock-/contact-capturing methods. These methods can determine all waves, particularly discontinuous ones. However, additional difficulties may appear in two-phase and multimaterial flows due to the abrupt variation of thermodynamic properties across the interfacial region, with discontinuous thermodynamical representations at the interfaces. To overcome this difficulty, researchers have developed augmented systems of governing equations to extend the capturing strategy. These extended systems, reviewed here, are termed diffuse-interface models, because they are designed to compute flow variables correctly in numerically diffused zones surrounding interfaces. In particular, they facilitate coupling the dynamics on both sides of the (diffuse) interfaces and tend to the proper pure fluid–governing equations far from the interfaces. This strategy has become efficient for contact interfaces separating fluids that are governed by different equations of state, in the presence or absence of capillary effects, and with phase change. As a result, more sophisticated materials than fluids (e.g., elastic–plastic materials) have been considered as well.

42 ENGINEERING↗
DOE OSTI2017

Cerium Ion Mobility and Diffusivity Rates in Perfluorosulfonic Acid Membranes Measured via Hydrogen Pump Operation

Ion mobility and diffusivity coefficients were determined for cerium ions in Nafion XL perfluorosulfonic acid ionomer membranes at 100% and 50% relative humidity in a conductivity cell using a hydrogen pump. We quantified Ce ion migration profiles as a function of charge transfer through the cell using X-ray fluorescence (XRF). To decouple simultaneous effects of Ce ion mobility and back-diffusion which occur due to potential and concentration gradients, respectively, a one-dimensional model was developed and fit to these intermittent XRF profiles. The resulting mobility and diffusivity coefficients demonstrate the dramatic effects of potential and concentration gradients on Ce ion migration during PEM fuel cell operation.

25 ENERGY STORAGE↗
DOE OSTI2017

Variationally Derived Discontinuity Factors for the Asymptotic Homogenized Diffusion Equation

Here in this work, we derive and test variational discontinuity factors (DFs) for the asymptotic homogenized diffusion equation. We begin with a functional for optimally estimating the reactor multiplication factor, then introduce asymptotic expressions for the forward and adjoint angular fluxes, and finally require that all first-order error terms vanish. In this way, the reactor multiplication factor can be calculated with second-order error. The analysis leads to (1) an alternate derivation of the asymptotic homogenized diffusion equation, (2) variational boundary conditions for large periodic systems, and (3) variational DFs to be applied between adjacent periodic regions (e.g., fuel assemblies). Numerical tests show that applying the variational DFs to the asymptotic homogenized diffusion equation yields the most accurate estimates of the reactor multiplication factor compared to other DFs for a wide range of problems. However, the resulting assembly powers are less accurate than those obtained using other DFs for many realistic problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Measurements on the Diffusion Length of Thermal Neutrons in Water from 25 to 296°C

Here, the diffusion length of thermal neutrons has been measured in water over the range 25.9 to 295.3°C in the pressure vessel of the KAPL High Temperature Critical Assembly. The diffusion length was determined by fitting an exponential to the data found by activating manganese foils with neutrons from a small Sb-Be source. The temperature variation of the diffusion length could be fairly well represented by either of two simple approximations—either that the transport cross section of water has a 1/υ behavior, or that the transport cross section is determined from the Radkowsky prescription.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Influence of hydride precipitation on the corrosion kinetics of Zircaloy-4: effect of the nano-structure and grain boundary properties of the zirconium oxide layer on oxygen diffusion flux - 2016-0073

Hydride precipitation at the oxide-metal interface is frequently proposed as causing the corrosion acceleration of Zircaloy-4 at high burnup in pressurized water reactors (PWRs). In order to identify the local mechanisms possibly involved, we studied the nano-structure of oxides formed on massive zirconium hydrides and reference Zircaloy-4 with an innovative grain mapping technique with the use of transmission electron microscopy (TEM). In autoclave PWR-conditions, the presence of a precipitated hydride phase, previously formed by a cathodic charging technique at the surface of Zircaloy-4, clearly increased the corrosion rate, and a higher oxygen diffusion flux along oxide grain boundaries is observed compared with the reference Zircaloy-4. The texture, grain size, and adjacent grain misorientation in the oxide layer were studied in detail along the direction of the oxide growth using an automated crystal orientation mapping technique associated with TEM for both pre-hydrided and reference Zircaloy-4 samples. The texture in the growth direction is similar on pre-hydrided and reference samples, but the grain-to-grain mis-orientations showed differences. Indeed, on the pre-hydrided sample, the misorientation of 90 deg. C with respect to the [001] monoclinic axis is less probable than in the reference oxide, and more mis-orientations of 50-70 deg. C and 120-150 deg. C, corresponding to larger mismatches between neighboring grain boundaries, are observed. A smaller average diameter of the columnar monoclinic grains is also clearly revealed for the oxide grown on the pre-hydrided sample that leads to a larger number of diffusion paths for oxidizing species. These results are discussed and used for simulating oxygen diffusion flux through the polycrystalline microstructure of the oxide layer as a function of the grain size. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2024

Diffusion-Model-Assisted Supervised Learning of Generative Models for Density Estimation

Here, we present a supervised learning framework of training generative models for density estimation. Generative models, including generative adversarial networks (GANs), normalizing flows, and variational auto-encoders (VAEs), are usually considered as unsupervised learning models, because labeled data are usually unavailable for training. Despite the success of the generative models, there are several issues with the unsupervised training, e.g., requirement of reversible architectures, vanishing gradients, and training instability. To enable supervised learning in generative models, we utilize the score-based diffusion model to generate labeled data. Unlike existing diffusion models that train neural networks to learn the score function, we develop a training-free score estimation method. This approach uses mini-batch-based Monte Carlo estimators to directly approximate the score function at any spatial-temporal location in solving an ordinary differential equation (ODE), corresponding to the reverse-time stochastic differential equation (SDE). This approach can offer both high accuracy and substantial time savings in neural network training. Once the labeled data are generated, we can train a simple, fully connected neural network to learn the generative model in the supervised manner. Compared with existing normalizing flow models, our method does not require the use of reversible neural networks and avoids the computation of the Jacobian matrix. Compared with existing diffusion models, our method does not need to solve the reverse-time SDE to generate new samples. As a result, the sampling efficiency is significantly improved. We demonstrate the performance of our method by applying it to a set of 2D datasets as well as real data from the University of California Irvine (UCI) repository.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Field Testing of an Unvented Roof with Fibrous Insulation, Tiles, and Vapor Diffusion Venting

This research is a test implementation of an unvented tile roof assembly in a hot-humid climate (Orlando, FL; Zone 2A), insulated with air permeable insulation (netted and blown fiberglass). Given the localized moisture accumulation and failures seen in previous unvented roof field work, it was theorized that a 'diffusion vent' (water vapor open, but air barrier 'closed') at the highest points in the roof assembly might allow for the wintertime release of moisture, to safe levels. The 'diffusion vent' is an open slot at the ridge and hips, covered with a water-resistant but vapor open (500+ perm) air barrier membrane. As a control comparison, one portion of the roof was constructed as a typical unvented roof (self-adhered membrane at ridge). The data collected to date indicate that the diffusion vent roof shows greater moisture safety than the conventional, unvented roof design.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Diffusivities of Ag, Cs, Sr, and Kr in TRISO fuel particles and graphite

Tri-structural isotropic (TRISO) coated particles have been developed and studied since the late 1950s when the concept of coated particles was invented by Roy Huddle of the United Kingdom Atomic Energy Authority. Several decades of work by half a dozen countries on fission product transport in TRISO fuel through numerous irradiation and heating experiments have led to several recommendations of transport data and to the adoption of various sets of diffusion coefficients. In 1997, the International Atomic Energy Agency (IAEA) gathered all these historical results and issued a technical document (TECDOC-978 [IAEA]) that summarizes these sets of recommended diffusion coefficients. Table 1 shows the reference literature articles for the diffusivities that have historically been recommended by the American and German TRISO fuel development programs and that are summarized in the IAEA report (see section 7 for full references of these articles).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Calibration procedure of Hukseflux SR25 to Establish the Diffuse Reference for the Outdoor Broadband Radiometer Calibration

Accurate pyranometer calibrations, traceable to internationally recognized standards, are critical for solar irradiance measurements. One calibration method is the component summation method, where the pyranometers are calibrated outdoors under clear sky conditions, and the reference global solar irradiance is calculated as the sum of two reference components, the diffuse horizontal and subtended beam solar irradiances. The beam component is measured with pyrheliometers traceable to the World Radiometric Reference, while there is no internationally recognized reference for the diffuse component. In the absence of such a reference, we present a method to consistently calibrate pyranometers for measuring the diffuse component. The method is based on using a modified shade/unshade method and a pyranometer with less than 0.5 W/m2 thermal offset. The calibration result shows that the responsivity of Hukseflux SR25 pyranometer equals 10.98 uV/(W/m2) with +/-0.86 percent uncertainty.

14 SOLAR ENERGY↗