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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

A Semianalytical Ocean Color Inversion Algorithm with Explicit Water Column Depth and Substrate Reflectance Parameterization

A semianalytical ocean color inversion algorithm was developed for improving retrievals of inherent optical properties (IOPs) in optically shallow waters. In clear, geometrically shallow waters, light reflected off the seafloor can contribute to the water-leaving radiance signal. This can have a confounding effect on ocean color algorithms developed for optically deep waters, leading to an overestimation of IOPs. The algorithm described here, the Shallow Water Inversion Model (SWIM), uses pre-existing knowledge of bathymetry and benthic substrate brightness to account for optically shallow effects. SWIM was incorporated into the NASA Ocean Biology Processing Group's L2GEN code and tested in waters of the Great Barrier Reef, Australia, using the Moderate Resolution Imaging Spectroradiometer (MODIS) Aqua time series (2002-2013). SWIM-derived values of the total non-water absorption coefficient at 443 nm, at(443), the particulate backscattering coefficient at 443 nm, bbp(443), and the diffuse attenuation coefficient at 488 nm, Kd(488), were compared with values derived using the Generalized Inherent Optical Properties algorithm (GIOP) and the Quasi-Analytical Algorithm (QAA). The results indicated that in clear, optically shallow waters SWIM-derived values of at(443), bbp(443), and Kd(443) were realistically lower than values derived using GIOP and QAA, in agreement with radiative transfer modeling. This signified that the benthic reflectance correction was performing as expected. However, in more optically complex waters, SWIM had difficulty converging to a solution, a likely consequence of internal IOP parameterizations. Whilst a comprehensive study of the SWIM algorithm's behavior was conducted, further work is needed to validate the algorithm using in situ data.

Great Barrier Reef↗
DOE OSTI2020

Where did the tumor start? An inverse solver with sparse localization for tumor growth models

In this work, we present a numerical scheme for solving an inverse problem for parameter estimation in tumor growth models for glioblastomas, a form of aggressive primary brain tumor. The growth model is a reaction–diffusion partial differential equation (PDE) for the tumor concentration. We use a PDE-constrained optimization formulation for the inverse problem. The unknown parameters are the reaction coefficient (proliferation), the diffusion coefficient (infiltration), and the initial condition field for the tumor PDE. Segmentation of magnetic resonance imaging (MRI) scans drive the inverse problem where segmented tumor regions serve as partial observations of the tumor concentration. Like most cases in clinical practice, we use data from a single time snapshot. Moreover, the precise time relative to the initiation of the tumor is unknown, which poses an additional difficulty for inversion. We perform a frozen-coefficient spectral analysis and show that the inverse problem is severely ill-posed. We introduce a biophysically motivated regularization on the structure and magnitude of the tumor initial condition. In particular, we assume that the tumor starts at a few locations (enforced with a sparsity constraint on the initial condition of the tumor) and that the initial condition magnitude in the maximum norm is equal to one. We solve the resulting optimization problem using an inexact quasi-Newton method combined with a compressive sampling algorithm for the sparsity constraint. Our implementation uses PETSc and AccFFT libraries. We conduct numerical experiments on synthetic and clinical images to highlight the improved performance of our solver over a previously existing solver that uses standard two-norm regularization for the calibration parameters. The existing solver is unable to localize the initial condition. Our new solver can localize the initial condition and recover infiltration and proliferation. In clinical datasets (for which the ground truth is unknown), our solver results in qualitatively different solutions compared to the two-norm regularized solver.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1971

Damage and recovery characteristics of lithium-containing solar cells.

Damage and recovery characteristics were measured on lithium-containing solar cells irradiated by 1-MeV electrons. Empirical expressions for cell recovery time, diffusion-length damage coefficient immediately after irradiation, and diffusion-length damage coefficient after recovery were derived using results of short-circuit current, diffusion-length, and reverse-bias capacitance measurements. The damage coefficients were expressed in terms of a single lithium density parameter, the lithium gradient. A fluence dependence was also established, this dependence being the same for both the immediate-post-irradiation and post-recovery cases. Cell recovery rates were found to increase linearly with lithium gradient.

Faith, T. J.↗
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 OSTI2024

Proton diffusion and hydrogen/deuterium exchange in amorphous solid water at temperatures from 114 to 134 K

The reaction coefficient for hydrogen/deuterium (H/D) exchange and the diffusion of hydrated excess protons within amorphous solid water (ASW) are characterized as a function of temperature. For these experiments, water films are deposited on a Pt(111) substrate at 108 K, and reactions with pre-adsorbed hydrogen atoms produce hydrated protons. Upon heating, protons diffuse within the water, and H/D exchange occurs when they encounter D2O probe molecules deposited in the films. The time-dependent concentration of D2O is monitored with infrared spectroscopy, and it indicates the protons diffusion from the substrate and establish an equilibrium distribution prior to significant H/D exchange for temperatures 114 K ≤T≤ 134 K. By controlling the distance between the D2O molecules and the substrate, we probe the distribution of protons within the film. It decays as x−2 for the examined range of x (12–52 nm) due to the electric field that develops between the diffusing protons and their image charges in the metal substrate. This agrees with the theoretical distance scaling for the equilibrated proton concentration in a dielectric near a metal boundary. From the proton concentration and the measured D2O decay rate, a lower bound for the proton diffusion coefficient ranging from 10−20 m2/s at 114 K to 10−18 m2/s at 134 K is estimated. The diffusion coefficient has an activation energy of 0.40 eV, which is comparable to energies reported for molecular translations and rotations of H2O, suggesting they may play a critical role in the proton diffusion mechanism within ASW.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Statistical distributions for transient transport

Here, this paper introduces the use of statistical distributions based on transport differential equations for clear distinction of transport modes within transient kinetic experiments. More specifically, novel techniques are developed for the transient data obtained through the Temporal Analysis of Products (TAP) reactor and are applicable to experiments where pulse response into a gas flow is used. The methodology allows distinguishing between two domains of diffusion transport in heterogeneous catalytic systems, i.e., Knudsen and non-Knudsen diffusion, using statistical fingerprints, and finding the transition domain. Two distribution parameters were obtained that directly result in coefficients that correspond to the concentration and the rate of transport. Using a linear relationship between the rate and concentration coefficients, Knudsen diffusion is revealed when the rate of transport is constant and non-Knudsen diffusion is confirmed when the rate of transport coefficient is a function of the concentration coefficient. As a result, accurate transport information can be extracted from experimental data even in the presence of comprising instrument drift or noise particularly when analyzing higher pressure pulse responses with complex transport. This enables more direct investigation of experiments influenced by gas-phase reactions.

TAP reactor↗
NASA NTRS2012

System to Measure Thermal Conductivity and Seebeck Coefficient for Thermoelectrics

The Seebeck coefficient, when combined with thermal and electrical conductivity, is an essential property measurement for evaluating the potential performance of novel thermoelectric materials. However, there is some question as to which measurement technique(s) provides the most accurate determination of the Seebeck coefficient at elevated temperatures. This has led to the implementation of nonstandardized practices that have further complicated the confirmation of reported high ZT materials. The major objective of the procedure described is for the simultaneous measurement of the Seebeck coefficient and thermal diffusivity within a given temperature range. These thermoelectric measurements must be precise, accurate, and reproducible to ensure meaningful interlaboratory comparison of data. The custom-built thermal characterization system described in this NASA-TM is specifically designed to measure the inplane thermal diffusivity, and the Seebeck coefficient for materials in the ranging from 73 K through 373 K.

Kim, Hyun-Jung↗
NASA NTRS2021

A Three-Step Semi Analytical Algorithm (3SAA) for Estimating Inherent Optical Properties Over Oceanic, Coastal, and Inland Waters From Remote Sensing Reflectance

We present a three-step inverse model (3SAA) for estimating the inherent optical properties (IOPs) of surface waters from the remote sensing reflectance spectra, Rrs(). The derived IOPs include the total (a()), phytoplankton (aphy()), and colored detrital matter (acdm()), absorption coefficients, and the total (bb()) and particulate (bbp()) backscattering coefficients. The first step uses an improved neural network approach to estimate the diffuse attenuation coefficient of downwelling irradiance from Rrs. a() and bbp() are then estimated using the LS2 model (Loisel et al., 2018), which does not require spectral assumptions on IOPs and hence can assess a() and bb() at any wavelength at which Rrs() is measured. Then, an inverse optimization algorithm is combined with an optical water class (OWC) approach to assess aphy() and acdm() from anw().The proposed model is evaluated using an in situ dataset collected in open oceanic, coastal, and inland waters. Comparisons with other standard semi-analytical algorithms (QAA and GSM), as well as match-up exercises, have also been performed. The applicability of the algorithm on OLCI observations was assessed through the analysis of global IOPs spatial patterns derived from 3SAA and GSM. The good performance of 3SAA is manifested by median absolute percentage differences (MAPD) of 13%, 23%, 34% and 34% for bbp(443), anw(443), aphy(443) and acdm(443), respectively for oceanic waters. Due to the absence of spectral constraints on IOPs in the inversion of total IOPs, and the adoption of an OWC-based approach, the performance of 3SAA is only slightly degraded in bio-optical complex inland waters.

ocean color↗
NASA NTRS2014

Algorithm Development and Validation of CDOM Properties for Estuarine and Continental Shelf Waters Along the Northeastern U.S. Coast

An extensive set of field measurements have been collected throughout the continental margin of the northeastern U.S. from 2004 to 2011 to develop and validate ocean color satellite algorithms for the retrieval of the absorption coefficient of chromophoric dissolved organic matter (aCDOM) and CDOM spectral slopes for the 275:295 nm and 300:600 nm spectral range (S275:295 and S300:600). Remote sensing reflectance (Rrs) measurements computed from in-water radiometry profiles along with aCDOM() data are applied to develop several types of algorithms for the SeaWiFS and MODIS-Aqua ocean color satellite sensors, which involve least squares linear regression of aCDOM() with (1) Rrs band ratios, (2) quasi-analytical algorithm-based (QAA based) products of total absorption coefficients, (3) multiple Rrs bands within a multiple linear regression (MLR) analysis, and (4) diffuse attenuation coefficient (Kd). The relative error (mean absolute percent difference; MAPD) for the MLR retrievals of aCDOM(275), aCDOM(355), aCDOM(380), aCDOM(412) and aCDOM(443) for our study region range from 20.4-23.9 for MODIS-Aqua and 27.3-30 for SeaWiFS. Because of the narrower range of CDOM spectral slope values, the MAPD for the MLR S275:295 and QAA-based S300:600 algorithms are much lower ranging from 9.9 and 8.3 for SeaWiFS, respectively, and 8.7 and 6.3 for MODIS, respectively. Seasonal and spatial MODIS-Aqua and SeaWiFS distributions of aCDOM, S275:295 and S300:600 processed with these algorithms are consistent with field measurements and the processes that impact CDOM levels along the continental shelf of the northeastern U.S. Several satellite data processing factors correlate with higher uncertainty in satellite retrievals of aCDOM, S275:295 and S300:600 within the coastal ocean, including solar zenith angle, sensor viewing angle, and atmospheric products applied for atmospheric corrections. Algorithms that include ultraviolet Rrs bands provide a better fit to field measurements than algorithms without the ultraviolet Rrs bands. This suggests that satellite sensors with ultraviolet capability could provide better retrievals of CDOM. Because of the strong correlations between CDOM parameters and DOM constituents in the coastal ocean, satellite observations of CDOM parameters can be applied to study the distributions, sources and sinks of DOM, which are relevant for understanding the carbon cycle, modeling the Earth system, and to discern how the Earth is changing.

CDOM Properties↗
NASA NTRS1981

Albedo and flux extinction coefficient of impure snow for diffuse shortwave radiation

Impurities enter a snowpack as a result of fallout of scavenging by falling snow crystals. Albedo and flux extinction coefficient of soot contaminated snowcovers were studied using a two stream approximation of the radiative transfer equation. The effect of soot was calculated by two methods: independent scattering by ice grains and impurities and average refractive index for ice grains. Both methods predict a qualitatively similar effect of soot; the albedo is decreased and the extinction coefficient is increased compared to that for pure snow in the visible region; the infrared properties are largely unaffected. Quantitatively, however, the effect of soot is more pronounced in the average refractive index method. Soot contamination provides a qualitative explanation for several snow observations.

Choudhury, B. J.↗
DOE OSTI2023

Diffusion–convection model of runaway electrons due to large magnetohydrodynamic perturbations in post-thermal quench plasmas

Systematic test particle tracing simulations for runaway electrons (REs) are performed for six post-thermal quench equilibria from DIII-D and ITER, where large scale, kink-like n = 1 (n is the toroidal mode number) magnetohydrodynamic (MHD) instabilities are found. The modeled particle guiding center orbits allow extraction of the effective diffusion–convection coefficients of REs in the presence of large three-dimensional (3D) perturbations up to 10% of the equilibrium toroidal field. With a fixed spatial distribution of the field perturbation, the RE transport coefficients along the plasma radial coordinate track reasonably well with the surface-averaged perturbation level. A substantial variation in the value of the transport coefficients—by three orders of magnitude in most cases, however, occurs with varying launching location of REs along the plasma radius. Large 3D perturbations almost always lead to comparable diffusion and convection processes, meaning that diffusion alone is insufficient to describe the particle motion. At lower (but still high) level of perturbation, the RE convection is found to be dominant over diffusion. A similar observation is made when the perturbation is too strong. In the presence of large perturbation, the dependence of the RE transport on the particle energy is sensitive to the spatial distribution of the perturbation. Based on numerically obtained RE transport coefficients, an analytic fitting model is proposed to quantify the particle diffusion and convection processes due to large MHD events in post-thermal quench plasmas. The model is shown to reasonably well reproduce the direct test particle tracing results for the RE loss fraction and can, thus, be useful for incorporating into other kinetic RE codes in order to simulate the RE beam evolution in the presence of large 3D perturbations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1973

Gas-phase hydrogen permeation through alpha iron, 4130 steel, and 304 stainless steel from less than 100 C to near 600 C

Gas phase hydrogen permeation studies were conducted on hollow, cylindrical membranes of triply zone-refined alpha iron, AISI 304 austenitic stainless steel, and AISI-SAE 4130 steel in both the normalized (ferrite and carbide) and quenched and tempered (martensite) conditions. Membrane temperature was varied from less than 100 C to near 600 C and hydrogen pressure was varied. For one membrane material, normalized 4130 steel, gas phase hydrogen transport under both steady state and nonsteady state conditions was demonstrated to be controlled by lattice diffusion. Additionally, Sievert's law was shown to be applicable. For all membrane materials, expressions for the coefficients for hydrogen permeation were determined by analysis of steady state transport; the coefficients for diffusion were determined by the lag time technique applied to nonsteady state transport; and through a knowledge of the Sievert's constants, the subsurface equilibrium lattice hydrogen concentrations were determined.

Nelson, H. G.↗
NASA NTRS1972

Three-dimensional plasma diffusion in a very strong magnetic field.

The thermal equilibrium coefficient of spatial diffusion transverse to a strong uniform dc magnetic field is calculated for a fully ionized plasma. The particles are assumed to move transverse to the field only as a consequence of the E x B drift, but to move freely parallel to it. The particles interact only electrostatically. The calculation is done at large, but fixed and finite, plasma volume. It is shown that, as magnetic field density approaches infinity, the leading term of the coefficient of transverse spatial diffusion falls off in a prescribed manner, but contains a multiplicative factor which goes to zero as the plasma volume becomes infinite. The method of calculation fails for unbounded plasmas.

Montgomery, D.↗
NASA NTRS1976

Diffusion in mixed solvents. III - The heat of mixing parameter and the Soret coefficient

New evidence is presented that for aqueous glycerol solutions, the Soret coefficient of glycerol, sigma sub 1 = D sub 1 T/D sub 1 (where D sub 1 T and D sub 1 are the thermal and self-diffusion coefficients, respectively, of glycerol in aqueous solutions), is an integral part of the heat of mixing parameter. Expressions are presented indicating the importance of the Soret coefficients to correlations for diffusion processes in glycerol water solvents.

Carapellucci, P. A.↗
DOE OSTI2023

A diffusion–deformation model with damage for polymer undergoing rapid decompression failure

Green hydrogen is emerging as one of the most promising alternatives to replace fossil fuels. While hydrogen gas has a good energy density by weight, its poor energy density by volume requires it to be stored under high pressure for commercial use. The hydrogen infrastructure developed to handle this high pressure hydrogen contains multiple components made of polymers as sealing agents. Although polymers do not react chemically with hydrogen gas, they undergo a mechanical failure when high pressure hydrogen gas is suddenly depressurized. This phenomenon known as 'rapid decompression failure' occurs due to the diffusion of hydrogen through polymer and getting trapped inside pre-existing cavities or voids. Here, in this paper, a continuum mechanics-based coupled diffusion-deformation-damage model was developed to predict the hydrogen distribution, stress distribution, and damage propagation inside the polymer while it undergoes rapid decompression failure. The polymer was modeled as a hyperelastic material because it represents the nonlinear material response observed in uniaxial tensile tests perfectly. The effects of hydrogen diffusivity, pre-existing cavity size, cavity location, applied hydrogen pressure, and depressurization rate on damage initiation were studied. It was found that the coefficient of diffusion plays an important role in damage initiation and damage was mostly concentrated in the inside areas rather than near the surface. Experiments were conducted with EPDM polymer which agreed well with the predicted trends using the given model. The effect of adding carbon black and silica filler particles and plasticizer to the pure EPDM polymer was also studied. It was found that damage during RDF decreases with the addition of fillers, but increases with the addition of the plasticizer. Finally, the damage evolution in the presence of two cavities was also studied, and was found that the interaction of stress fields around the cavities alters the damage occurring during RDF.

36 MATERIALS SCIENCE↗
NASA NTRS1974

The diffusive idealization of charged-particle transport in random magnetic fields

The uniqueness and accuracy of the equations which describe the transport of charged particles diffusing in a random magnetic field parallel to a relatively large guiding field is examined. With regard to uniqueness, it is found that the same coefficient of diffusion is obtained by three methods that have apparently led to discrepancies in previous work. With regard to accuracy, it is found that two corrections must be added to Fick's law in which the diffusive flux is proportional to the gradient of the density. Explicit expressions are given for a characteristic time and a characteristic length which describe the corrections.

Earl, J. A.↗
NASA NTRS1990

The baroeffect and an appropriate momentum boundary condition

As disparate molecular weight gases isothermally diffuse between two ends of a capillary tube, they can support a pressure gradient. The magnitude of this pressure gradient depends critically on viscous wall stress and becomes a measure of the boundary condition. Here, a one-dimensional analytical model is proposed that allows for specular gas reflection from the wall. It explains anomalous (4/3) correction factors required previously to match experiment to baroeffect models. It predicts a new physical phenomenon, a surface-driven baroeffect for equal molecular weight gases. Diffusive slip contributions exceed the order of convective diffusion for Peclet number Pe less than 1 and approximately equal convective diffusion for Pe values between 1 and 4. For binary gases, this model further extends the baroeffect experiment as a means to find momentum accommodation coefficients, slip lengths, and external friction coefficients. A corrected binary diffusion coefficient is defined.

Noever, David A.↗
DOE OSTI2022

Influence of the Soret effect on binary-species boundary layers at high pressure

Direct numerical simulations of binary-species temporal boundary layers at high pressure are performed. The main objective is to investigate the influence of the Soret effect on flow physics of binary-species boundary layers where the fluid has a uniform composition. The working fluid is a mixture of 25 % methane and 75 % nitrogen in mass fraction. Although the fluid composition is uniform at the initial condition, the mass fraction of methane increases near the wall when the wall temperature is hotter than the free stream temperature, whereas it decreases when the wall temperature is colder. The non-uniform mass fraction indicates that the uphill diffusion occurs near the wall. Investigation of fluctuations of the mass fraction reveals that the mass fraction fluctuates in the whole boundary layer, indicating that the uphill diffusion occurs even far from the wall. Examination of the species-mass diffusion balance for mean flow fields clarified that the Soret effect flux becomes large near the wall, and the large flux causes the non-uniform profile of the mass fraction near the wall.

Binary Diffusion Coefficient↗