Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Diffusion model”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Joining X-Ray to Lensing: An Accurate Combined Analysis of MACS J0416.1–2403

We present a novel approach for a combined analysis of X-ray and gravitational lensing data and apply this technique to the merging galaxy cluster MACS J0416.1–2403. The method exploits the information on the intracluster gas distribution that comes from a fit of the X-ray surface brightness and then includes the hot gas as a fixed mass component in the strong-lensing analysis. With our new technique, we can separate the collisional from the collision-less diffuse mass components, thus obtaining a more accurate reconstruction of the dark matter distribution in the core of a cluster. We introduce an analytical description of the X-ray emission coming from a set of dual pseudo-isothermal elliptical mass distributions, which can be directly used in most lensing softwares. By combining Chandra observations with Hubble Frontier Fields imaging and Multi Unit Spectroscopic Explorer spectroscopy in MACS J0416.1–2403, we measure a projected gas-to-total mass fraction of approximately 10% at 350 kpc from the cluster center. Compared to the results of a more traditional cluster mass model (diffuse halos plus member galaxies), we find a significant difference in the cumulative projected mass profile of the dark matter component and that the dark matter over total mass fraction is almost constant, out to more than 350 kpc. In the coming era of large surveys, these results show the need of multiprobe analyses for detailed dark matter studies in galaxy clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Effects of In profile on simulations of InGaN/GaN multi-quantum-well light-emitting diodes

We investigate the impact of incorporating realistic In profiles in simulations of c-plane InGaN/GaN light-emitting diodes. Simulations based on a drift-diffusion model typically overestimate the onset voltage, but have usually been based on the assumption of ideal quantum wells with a square In profile. We demonstrate that more realistic profiles lead to significant modifications of current-density-versus-voltage characteristics, and explain the effects based on changes in the band diagram and carrier overlap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Modelling the Alfvén eigenmode induced fast-ion flow measured by an imaging neutral particle analyzer

An imaging neutral particle analyzer (INPA) provides energy and radially resolved measurements of the confined fast-ion population ranging from the high-field side to the edge on the midplane of the DIII-D tokamak. In recent experiments, it was used to diagnose fast-ion flow in the INPA-interrogated phase-space driven by multiple, marginally unstable Alfvén eigenmodes (AEs). Here, the key features of this measured fast-ion flow are: (I) a fast-ion flow from q min and the injection energy (81 keV) towards lower energies and plasma periphery.(II) A flow from the same location towards higher energies and the plasma core, (III) a phase-space 'hole' at the injected energy and plasma core and (IV) a pile-up at the plasma core at lower energies (~60 keV). Ad hoc energetic particle diffusivity modelling of TRANSP significantly deviates from the observation. Comparably, a reduced modelling, i.e. a combination of NOVA-K and ASCOT5 code with the measured mode structure and amplitude, generally reproduce some key features of the observed phase-space flow, but largely failed to interpret fast ion depletion near the plasma axis. At last, self-consistent, first-principle multi-phase hybrid simulations that include realistic neutral beam injection and collisions are able to reproduce most features of the time-resolved phase-space flow. During consecutive hybrid phases, an RSAE consistent with the experiment grows and saturates, redistributing the injected fast ions. The resulting synthetic INPA images are in good agreement with the measurement near the injection energy. The simulations track the fast-ion redistribution within the INPA range, confirming that the measured fast-ion flow follows streamlines defined by the intersection of phase-space surfaces of constant magnetic moment μ and constant E' = nE + ωP φ , where n and ω are the instability toroidal mode number and frequency, and E and P φ the ion energy and toroidal canonical momentum. Nonperturbative effects are required to reproduce the depletion of fast ions near the magnetic axis at the injection energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

First observation of increased DT yield over prediction due to addition of hydrogen

Here, in a number of reported instances, implosions utilizing fuel mixtures have resulted in anomalously low fusion yields below those predicted by radiation-hydrodynamics simulations. Inter-species ion diffusion has been suggested as a possible cause of the observed yield degradation in fuel mixture implosions. An experimental platform utilizing hydro-equivalent deuterium–tritium (DT), deuterium–tritium–hydrogen (DTH), and deuterium-tritium-helium3 (DT 3 He) capsule implosions was developed to determine whether the inter-species ion diffusion theory may describe the resulting fuel mixture implosion behavior. The implosion experiments were performed at the Omega laser facility. X-ray images and shell areal density diagnostics results show that the hydro-equivalent three capsules (DT, DTH, and DT 3 He) have similar compression behavior. However, nuclear yield deviation was observed from the scaling determined using a fusion yield formula. In the DT 3 He mixture, a reduced yield of a factor of 0.65 ± 0.13 was observed, which is similar to a yield reduction observed in D 3 He mixture by Rygg et al. (i.e., Rygg effect). In contrast, in the DTH mixture, a factor of 1.17 ±0.15 yield increase was observed, which we named the inverse Rygg effect. The yield increase observed in the DTH mixture is consistent with the inter-species ion diffusion theory where lighter H diffuses away from the core and concentrated DT in the core produces higher yield. An inter-species ion diffusion model, the Zimmerman–Paquette–Kagan–Zhdanov model, implemented in a Lagrangian radiation-hydrodynamics fluid code, was also used to analyze the present data, without the need to assume hydrodynamic equivalence of the capsules, but it does not completely explain the DTH or DT 3 He capsules although its effects are in the correct direction. Simulation-based Bayesian inference was used in the latter analysis to quantify the uncertainty in the numerical simulations. The simulation-based analysis resulted in an inferred Rygg-effect yield decrease factor of 0.91 ± 0.02 for the DT 3 He mixture, and an inferred inverse-Rygg yield increase factor of 1.21 ± 0.04 for the DTH mixture, based on simulations ignoring ion diffusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Exciton quenching at PEDOT:PSS anode in polymer blue-light-emitting diodes

The quenching of excitons at the poly(3,4-ethylenedioxythiophene):poly(styrenesulfonic acid) (PEDOT:PSS) anode in blue polyalkoxyspirobifluorene-arylamine polymer light-emitting diodes is investigated. Due to the combination of a higher electron mobility and the presence of electron traps, the recombination zone shifts from the cathode to the anode with increasing voltage. The exciton quenching at the anode at higher voltages leads to an efficiency roll-off. The voltage dependence of the luminous efficiency is reproduced by a drift-diffusion model under the condition that quenching of excitons at the PEDOT:PSS anode and metallic cathode is of equal strength. Experimentally, the efficiency roll-off at high voltages due to anode quenching is eliminated by the use of an electron-blocking layer between the anode and the light-emitting polymer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Optical pumping and spectroscopy of Cs vapor at high magnetic field

We have measured changes in the ground-state populations of Cs vapor induced by optical pumping at high magnetic field. The 2.7-T field of our experiments is strong enough to decouple the nuclear and electronic spins, allowing us to independently measure each population. The spatial dependence of the Cs populations in small amounts of buffer gas obeys a simple coupled diffusion model and the relative populations reveal the details of relaxation within the vapor cell. Optical pumping can produce high nuclear polarization in the Cs vapor due to perturbations of the hyperfine interaction during collisions with buffer-gas particles and depending on the pumping transition, radiation trapping can strongly influence the electronic and nuclear polarizations in the vapor.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Diffusion-induced periodic transition between oscillatory modes in amplitude-modulated patterns

We study amplitude-modulated waves, e.g., wave packets in one dimension, overtarget spirals and superspirals in two dimensions, under mixed-mode oscillatory conditions in a three-variable reaction-diffusion model. New transition zones, not seen in the homogeneous system, are found, in which periodic transitions occur between local 1{sup N−1} and 1{sup N} oscillations. Amplitude-modulated complex patterns result from periodic transition between (N − 1)-armed and N-armed waves. Spatial recurrence rates provide a useful guide to the stability of these modulated patterns.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Molecular Dynamics Simulation Study of the Protonation State Dependence of Glutamic Acid Transport through a Cyclic Peptide Nanotube

The effect of the protonation state of glutamic acid on its translocation through cyclic peptide nanotubes (CPNs) was assessed by using molecular dynamics (MD) simulations. Anionic (GLU–), neutral zwitterionic (GLU0), and cationic (GLU+) forms of glutamic acid were selected as three different protonation states for an analysis of energetics and diffusivity for acid transport across a cyclic decapeptide nanotube. Based on the solubility-diffusion model, permeability coefficients for the three protonation states of the acid were calculated and compared with experimental results for CPN-mediated glutamate transport through CPNs. Potential of mean force (PMF) calculations reveal that, due to the cation-selective nature of the lumen of CPNs, GLU–, so-called glutamate, shows significantly high free energy barriers, while GLU+ displays deep energy wells and GLU0 has mild free energy barriers and wells inside the CPN. The considerable energy barriers for GLU– inside CPNs are mainly attributed to unfavorable interactions with DMPC bilayers and CPNs and are reduced by favorable interactions with channel water molecules through attractive electrostatic interactions and hydrogen bonding. Unlike the distinct PMF curves, position-dependent diffusion coefficient profiles exhibit comparable frictional behaviors regardless of the charge status of three protonation states due to similar confined environments imposed by the lumen of the CPN. The calculated permeability coefficients for the three protonation states clearly demonstrate that glutamic acid has a strong protonation state dependence for its transport through CPNs, as determined by the energetics rather than the diffusivity of the protonation state. In addition, the permeability coefficients also imply that GLU– is unlikely to pass through a CPN due to the high energy barriers inside the CPN, which is in disagreement with experimental measurements, where a considerable amount of glutamate permeating through the CPN was detected. To resolve the discrepancy between this work and the experimental observations, several possibilities are proposed, including a large concentration gradient of glutamate between the inside and outside of lipid vesicles and bilayers in the experiments, the glutamate activity difference between our MD simulations and experiments, an overestimation of energy barriers due to the artifacts imposed in MD simulations, and/or finally a transformation of the protonation state from GLU– to GLU0 to reduce the energy barriers. Altogether, our study demonstrates that the protonation state of glutamic acid has a strong effect on the transport of the acid and suggests a possible protonation state change for glutamate permeating through CPNs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Time dependent chlorination of CeO 2 , La 2 O 3 and Nd 2 O 3 by ZrCl 4 dissolved in eutectic LiCl–KCl

Partial chlorination of CeO 2 , La 2 O 3 , and Nd 2 O 3 was achieved using ZrCl 4 dissolved in molten LiCl-KCl at 450°C over a period of 4-5 hr. ZrCl 4 was pre-volatilized into an argon stream to maintain a constant vapor pressure for equilibration with the salt. This approach was effective at maintaining the ZrCl 4 concentration at the solubility limit of 1.3 mol% in the molten salt throughout the duration of two of the chlorination experiments and within about 60% of the solubility limit in the third experiment. Based on the analysis of salt samples, fractional conversion after four hours of reaction for CeO 2 , and five hours for La 2 O 3 , and Nd 2 O 3 were calculated to be 0.97, 0.28, and 0.65 respectively. Assuming a shrinking core diffusion-limited model, the diffusivity of ZrCl 4 through the hypothesized ZrO 2 layer was calculated for the chlorination of CeO 2 , La 2 O 3 , and Nd 2 O 3 were 1.76 x 10 -10 cm 2 /sec, 7.85 x 10 -12 cm 2 /sec, and 7.42 x 10 -12 cm 2 /sec, respectively. Given the extremely low values calculated for diffusivity, it was concluded that the process is chemical reaction rate limited and that a complete reaction of each rare earth oxide could be achieved. Furthermore, a chemically controlled shrinking core model was shown to also fit the experimental data closely.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Energy Spectra of Abundant Cosmic-ray Nuclei in Sources, According to the ATIC Experiment

One of the main results of the ATIC (Advanced Thin Ionization Calorimeter) experiment is a collection of energy spectra of abundant cosmic-ray nuclei: protons, He, C, O, Ne, Mg, Si, and Fe measured in terms of energy per particle in the energy range from 50 GeV to tens of teraelectronvolts. In this paper, the ATIC energy spectra of abundant primary nuclei are back-propagated to the spectra in sources in terms of magnetic rigidity using a leaky-box approximation of three different GALPROP-based diffusion models of propagation that fit the latest B/C data of the AMS-02 experiment. It is shown that the results of a comparison of the slopes of the spectra in sources are weakly model dependent; therefore the differences of spectral indices are reliable data. A regular growth of the steepness of spectra in sources in the range of magnetic rigidity of 50–1350 GV is found for a charge range from helium to iron. This conclusion is statistically reliable with significance better than 3.2 standard deviations. The results are discussed and compared to the data of other modern experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

Peculiarities of radiation-induced defect formation in nanocrystals embedded in a solid matrix

The modification of basic radiation-physics effects (elastic defect formation and amorphization) in nanoclusters placed in a solid matrix compared to the same processes in single crystals is considered theoretically. We introduce a diffusion model of defect formation and study the influence of the nanocluster-matrix interface on the displacement energy. Based on the percolation treatment, we show a significant change in the critical nanocluster amorphization dose compared to the case of a crystal. The influence of various types of irradiation on the amorphization processes is considered. Judgments about the variety of radiation-physics effects in nanoobjects are expressed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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 OSTI2015

Sub-nanometer glass surface dynamics induced by illumination

Illumination is known to induce stress and morphology changes in opaque glasses. Amorphous silicon carbide (a-SiC) has a smaller bandgap than the crystal. Thus, we were able to excite with 532 nm light a 1 μm amorphous surface layer on a SiC crystal while recording time-lapse movies of glass surface dynamics by scanning tunneling microscopy (STM). Photoexcitation of the a-SiC surface layer through the transparent crystal avoids heating the STM tip. Up to 6 × 10{sup 4} s, long movies of surface dynamics with 40 s time resolution and sub-nanometer spatial resolution were obtained. Clusters of ca. 3-5 glass forming units diameter are seen to cooperatively hop between two states at the surface. Photoexcitation with green laser light recruits immobile clusters to hop, rather than increasing the rate at which already mobile clusters hop. No significant laser heating was observed. Thus, we favor an athermal mechanism whereby electronic excitation of a-SiC directly controls glassy surface dynamics. This mechanism is supported by an exciton migration-relaxation-thermal diffusion model. Individual clusters take ∼1 h to populate states differently after the light intensity has changed. We believe the surrounding matrix rearranges slowly when it is stressed by a change in laser intensity, and clusters serve as a diagnostic. Such cluster hopping and matrix rearrangement could underlie the microscopic mechanism of photoinduced aging of opaque glasses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

On how structures convey non-diffusive turbulence spreading

Abstract We report on comprehensive experimental studies of turbulence spreading in edge plasmas. These studies demonstrate the relation of turbulence spreading and entrainment to intermittent convective density fluctuation events or bursts (i.e. blobs and holes). The non-diffusive character of turbulence spreading is thus elucidated. The turbulence spreading velocity (or mean jet velocity) manifests a linear correlation with the skewness of density fluctuations, and increases with the auto-correlation time of density fluctuations. Turbulence spreading by positive density fluctuations is outward, while spreading by negative density fluctuations is inward. The degree of symmetry breaking between outward propagating blobs and inward propagating holes increases with the amplitude of density fluctuations. Thus, blob-hole asymmetry emerges as crucial to turbulence spreading. These results highlight the important role of intermittent convective events in conveying the spreading of turbulence, and constitute a fundamental challenge to existing diffusive models of spreading.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Maximum magnitude in bias-dependent spin accumulation signals of CoFe/MgO/Si on insulator devices

We study in detail how the bias voltage (V{sub bias}) and interface resistance (RA) depend on the magnitude of spin accumulation signals (|ΔV| or |ΔV|/I, where I is current) as detected by three-terminal Hanle measurements in CoFe/MgO/Si on insulator (SOI) devices with various MgO layer thicknesses and SOI carrier densities. We find the apparent maximum magnitude of spin polarization as a function of V{sub bias} and the correlation between the magnitude of spin accumulation signals and the shape of differential conductance (dI/dV) curves within the framework of the standard spin diffusion model. All of the experimental results can be explained by taking into account the density of states (DOS) in CoFe under the influence of the applied V{sub bias} and the quality of MgO tunnel barrier. These results indicate that it is important to consider the DOS of the ferromagnetic materials under the influence of an applied V{sub bias} and the quality of tunnel barrier when observing large spin accumulation signals in Si.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Capacitive radio frequency discharges with a single ring-shaped narrow trench of various depths to enhance the plasma density and lateral uniformity

Spatial structures of the electron density and temperature in ring-shaped hollow cathode capacitive rf plasma with a single narrow trench of 2 mm width have been investigated at various trench depths of D = 5, 8, 10, 12, and 15 mm. It is found that the plasma density is increased in the presence of the trench and that the radial profile of the plasma density has a peak around the narrow hollow trench near the cathode. The density becomes uniform further away from the cathode at all trench depths, whereas the electron temperature distribution remains almost uniform. The measured radial profiles of the plasma density are in good agreement with a theoretical diffusion model for all the trench depths, which explains the local density increase by a local enhancement of the electron heating. Under the conditions investigated, the trench of 10 mm depth is found to result in the highest plasma density at various axial and radial positions. The results show that the radial uniformity of the plasma density at various axial positions can be improved by using structured electrodes of distinct depths rather than planar electrodes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Ion Exchange Distribution Coefficient Tests and Computer Modeling at High Ionic Strength Supporting Technetium Removal Resin Maturation

The primary treatment of the tank waste at the DOE Hanford site will be done in the Waste Treatment and Immobilization Plant (WTP) that is currently under construction. The baseline plan for this facility is to treat the waste, splitting it into High Level Waste (HLW) and Low Activity Waste (LAW). Both waste streams are then separately vitrified as glass and poured into canisters for disposition. The LAW glass will be disposed onsite in the Integrated Disposal Facility (IDF). There are currently no plans to treat the waste to remove technetium, so its disposition path is the LAW glass. Due to the water solubility properties of pertechnetate and long half-life of 99 Tc, effective management of 99 Tc is important to the overall success of the Hanford River Protection Project mission. To achieve the full target WTP throughput, additional LAW immobilization capacity is needed, and options are being explored to immobilize the supplemental LAW portion of the tank waste. Removal of 99 Tc, followed by off-site disposal, would eliminate a key risk contributor for the IDF Performance Assessment (PA) for supplemental waste forms, and has potential to reduce treatment and disposal costs. Washington River Protection Solutions (WRPS) is developing some conceptual flow sheets for supplemental LAW treatment and disposal that could benefit from technetium removal. One of these flowsheets will specifically examine removing 99 Tc from the LAW feed stream to supplemental immobilization. To enable an informed decision regarding the viability of technetium removal, further maturation of available technologies is being performed. This report contains results of experimental ion exchange distribution coefficient testing and computer modeling using the resin SuperLig ® 639 a to selectively remove perrhenate from high ionic strength simulated LAW. It is advantageous to operate at higher concentration in order to treat the waste stream without dilution and to minimize the volume of the final wasteform. This work examined the impact of high ionic strength, high density, and high viscosity if higher concentration LAW feed solution is used. Perrhenate (ReO 4 - ) has been shown to be a good nonradioactive surrogate for pertechnetate in laboratory testing for this ion exchange resin, and the performance bias is well established. Equilibrium contact testing with 7.8 M [Na + ] average simulant concentrations indicated that the SuperLig ® 639 resin average perrhenate distribution coefficient was 368 mL/g at a 100:1 phase ratio. Although this indicates good performance at high ionic strength, an equilibrium test cannot examine the impact of liquid viscosity, which impacts the diffusivity of ions and therefore the loading kinetics. To get an understanding of the effect of diffusivity, modeling was performed, which will be followed up with column tests in the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗