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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Raman spectroscopic study of anhydrous and hydrous REE phosphates, oxides, and hydroxides

Rare earth elements (REE) include the lanthanides (La–Lu), Y, and Sc which are critical elements for the green energy transition. The REE show a decrease in ionic radii with increased atomic numbers, which results in a so-called lanthanide contraction systematically affecting crystal structures and mineral properties. Here we present a compilation of reference Raman spectra of ten REE sesquioxides (A-, B- and C-type), five REE hydroxides, eight xenotime-structured REE phosphate endmembers and two solid solutions, seven monazite-structured REE phosphate endmembers and two solid solutions and seven rhabdophane endmembers with up to five Ce 1–x LREE x rhabdophane solid solutions (LREE = La–Gd). Raman mode assignment is based on a detailed literature review summarizing existing analytical work and theoretical calculations and systematic trends observed in this study by analyzing different REE-bearing solids. Here, the wavenumbers of the main REE-O Raman band systematically increase with decreasing ionic radii forming discrete linear trends within isostructural mineral groups, that can be used to estimate the REE-O mode in other solids with known REE-O coordination numbers. Photoluminescence using 266 nm, 532 nm and 633 nm excitation laser wavelengths for REE-bearing oxides, hydroxides, anhydrous and hydrous phosphates is also presented providing a new framework for identifying REE-phases in phosphate-bearing natural mineral deposits.

58 GEOSCIENCES↗
DOE OSTI2023

BeyondPlanck: V. Minimal ADC Corrections for Planck LFI

We describe the correction procedure for Analog-to-Digital Converter (ADC) differential non-linearities (DNL) adopted in the Bayesian end-to-end BEYONDPLANCK analysis framework. This method is nearly identical to that developed for the official Planck Low Frequency Instrument (LFI) Data Processing Center (DPC) analysis, and relies on the binned rms noise profile of each detector data stream. However, rather than building the correction profile directly from the raw rms profile, we first fit a Gaussian to each significant ADC-induced rms decrement, and then derive the corresponding correction model from this smooth model. The main advantage of this approach is that only samples which are significantly affected by ADC DNLs are corrected, as opposed to the DPC approach in which the correction is applied to all samples, filtering out signals not associated with ADC DNLs. The new corrections are only applied to data for which there is a clear detection of the non-linearities, and for which they perform at least comparably with the DPC corrections. Out of a total of 88 LFI data streams (sky and reference load for each of the 44 detectors) we apply the new minimal ADC corrections in 25 cases, and maintain the DPC corrections in 8 cases. All these corrections are applied to 44 or 70 GHz channels, while, as in previous analyses, none of the 30 GHz ADCs show significant evidence of non-linearity. By comparing the BEYONDPLANCK and DPC ADC correction methods, we estimate that the residual ADC uncertainty is about two orders of magnitude below the total noise of both the 44 and 70 GHz channels, and their impact on current cosmological parameter estimation is small. However, we also show that non-idealities in the ADC corrections can generate sharp stripes in the final frequency maps, and these could be important for future joint analyses with the Planck High Frequency Instrument (HFI), Wilkinson Microwave Anisotropy Probe (WMAP), or other datasets. We therefore conclude that, although the existing corrections are adequate for LFI-based cosmological parameter analysis, further work on LFI ADC corrections is still warranted.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Experimental analysis of a novel and low-cost pin photodiode dosimetry system for diagnostic radiology

Silicon PIN photodiode has recently found broad and exciting applications in the ionizing radiation dosimetry. In this study a compact and novel dosimetry system using a commercially available PIN photodiode (BPW34) has been experimentally tested for diagnostic radiology. The system was evaluated with clinical beams routinely used for diagnostic radiology and calibrated using a secondary reference standard. Measured dose with PIN photodiode (Air Kerma) varied from 10 to 430 μGy for tube voltages from 40 to 100 kVp and tube current from 0.4 to 40 mAs. The minimum detectable organ dose was estimated to be 10 μGy with 20% uncertainty. Results showed a linear correlation between the PIN photodiode readout and dose measured with standard dosimeters spanning doses received. The present dosimetry system having advantages of suitable sensitivity with immediate readout of dose values, low cost, and portability could be used as an alternative to passive dosimetry system such as thermoluminescent dosimeter for dose measurements in diagnostic radiology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Quadrupole-mediated dielectric response and the charge-asymmetric solvation of ions in water

Treating water as a linearly responding dielectric continuum on molecular length scales allows very simple estimates of the solvation structure and thermodynamics for charged and polar solutes. While this approach can successfully account for basic length and energy scales of ion solvation, computer simulations indicate not only its quantitative inaccuracies but also its inability to capture some basic and important aspects of microscopic polarization response. Here, we consider one such shortcoming, a failure to distinguish the solvation thermodynamics of cations from that of otherwise-identical anions, and we pursue a simple, physically inspired modification of the dielectric continuum model to address it. The adaptation is motivated by analyzing the orientational response of an isolated water molecule whose dipole is rigidly constrained. Its free energy suggests a Hamiltonian for dipole fluctuations that accounts implicitly for the influence of higher-order multipole moments while respecting constraints of molecular geometry. Finally, we propose a field theory with the suggested form, whose nonlinear response breaks the charge symmetry of ion solvation. An approximate variational solution of this theory, with a single adjustable parameter, yields solvation free energies that agree closely with simulation results over a considerable range of solute size and charge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Tracing the cosmic velocity field at z∼ 0.1 from galaxy luminosities in the SDSS DR7

Spatial modulations in the distribution of observed luminosities (computed using redshifts) of ∼ 5× 10{sup 5} galaxies from the SDSS Data Release 7, probe the cosmic peculiar velocity field out to z∼ 0.1. Allowing for luminosity evolution, the r-band luminosity function, determined via a spline-based estimator, is well represented by a Schechter form with M{sup *}(z)-5 log{sub 10} h = -20.52 -1.6(z-0.1)± 0.05 and α{sup *} = -1.1± 0.03. Bulk flows and higher velocity moments in two redshift bins, 0.02 < z < 0.07 and 0.07 < z < 0.22, agree with the predictions of the ΛCDM model, as obtained from mock galaxy catalogs designed to match the observations. Assuming a ΛCDM model, we estimate σ{sub 8} ≈ 1.1± 0.4 for the amplitude of the linear matter power spectrum, where the low accuracy is due to the limited number of galaxies. While the low z bin is robust against coherent photometric uncertainties, the bias of results from the second bin is consistent with the ∼1% magnitude tilt reported by the SDSS collaboration. The systematics are expected to have a significantly lower impact in future datasets with larger sky coverage and better photometric calibration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Frequency-domain full-waveform inversion with non-linear descent directions

Full-waveform inversion (FWI) is a highly non-linear inverse problem, normally solved iteratively, with each iteration involving an update constructed through linear operations on the residuals. Incorporating a flexible degree of non-linearity within each update may have important consequences for convergence rates, determination of low model wavenumbers and discrimination of parameters. In this study, we examine one approach for doing so, wherein higher order scattering terms are included within the sensitivity kernel during the construction of the descent direction, adjusting it away from that of the standard Gauss–Newton approach. These scattering terms are naturally admitted when we construct the sensitivity kernel by varying not the current but the to-be-updated model at each iteration. Linear and/or non-linear inverse scattering methodologies allow these additional sensitivity contributions to be computed from the current data residuals within any given update. We show that in the presence of pre-critical reflection data, the error in a second-order non-linear update to a background of s 0 is, in our scheme, proportional to at most (Δs/s 0 ) 3 in the actual parameter jump Δs causing the reflection. In contrast, the error in a standard Gauss–Newton FWI update is proportional to (Δs/s 0 ) 2 . For numerical implementation of more complex cases, we introduce a non-linear frequency-domain scheme, with an inner and an outer loop. A perturbation is determined from the data residuals within the inner loop, and a descent direction based on the resulting non-linear sensitivity kernel is computed in the outer loop. We examine the response of this non-linear FWI using acoustic single-parameter synthetics derived from the Marmousi model. Lastly, the inverted results vary depending on data frequency ranges and initial models, but we conclude that the non-linear FWI has the capability to generate high-resolution model estimates in both shallow and deep regions, and to converge rapidly, relative to a benchmark FWI approach involving the standard gradient.

58 GEOSCIENCES↗
DOE OSTI2019

A Non-Exhaustive Search Algorithm to Identify Distribution Grid Operational Topology

Distribution grid, in general, is constructionally loopy but a radially operated network. Opening and closing of suitable tie-switches allow transition from one topology to another. Identifying the operational topology of a distribution system is essential for accurate control actions. This paper proposes a non-exhaustive search approach to detect the operational topology of the distribution feeder by estimating the switch statuses. In this work, a mixed-integer linear programming approach is proposed that finds the correct operational topology by identifying the system load demand and power flow variables that are closest to the corresponding measured values. The problem is constrained by distribution power flow and radial structure of the feeder. This formulation allows the inclusion of errors in power/line flow measurements making it more suitable for a practical distribution system. The proposed approach finds the correct operational topology without exhaustively searching for all possible topologies. We thoroughly validate the accuracy and effectiveness of the proposed approach in identifying correct operational topology using IEEE 123-node feeder with the help of numerous simulations studies. It is observed that the approach performs well even at very high percentages of load and flow measurement errors.

Missed detection ratio (MDR), Mixed-integer linear↗
DOE OSTI2015

SU-F-BRD-07: Fast Monte Carlo-Based Biological Optimization of Proton Therapy Treatment Plans for Thyroid Tumors

Purpose: To demonstrate the feasibility of fast Monte Carlo (MC) based biological planning for the treatment of thyroid tumors in spot-scanning proton therapy. Methods: Recently, we developed a fast and accurate GPU-based MC simulation of proton transport that was benchmarked against Geant4.9.6 and used as the dose calculation engine in a clinically-applicable GPU-accelerated IMPT optimizer. Besides dose, it can simultaneously score the dose-averaged LET (LETd), which makes fast biological dose (BD) estimates possible. To convert from LETd to BD, we used a linear relation based on cellular irradiation data. Given a thyroid patient with a 93cc tumor volume, we created a 2-field IMPT plan in Eclipse (Varian Medical Systems). This plan was re-calculated with our MC to obtain the BD distribution. A second 5-field plan was made with our in-house optimizer, using pre-generated MC dose and LETd maps. Constraints were placed to maintain the target dose to within 25% of the prescription, while maximizing the BD. The plan optimization and calculation of dose and LETd maps were performed on a GPU cluster. The conventional IMPT and biologically-optimized plans were compared. Results: The mean target physical and biological doses from our biologically-optimized plan were, respectively, 5% and 14% higher than those from the MC re-calculation of the IMPT plan. Dose sparing to critical structures in our plan was also improved. The biological optimization, including the initial dose and LETd map calculations, can be completed in a clinically viable time (∼30 minutes) on a cluster of 25 GPUs. Conclusion: Taking advantage of GPU acceleration, we created a MC-based, biologically optimized treatment plan for a thyroid patient. Compared to a standard IMPT plan, a 5% increase in the target’s physical dose resulted in ∼3 times as much increase in the BD. Biological planning was thus effective in escalating the target BD.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

The possibility of identifying the spatial location of single dislocations by topo-tomography on laboratory setups

The spatial arrangement of single linear defects in a Si single crystal (input surface (111)) has been investigated by X-ray topo-tomography using laboratory X-ray sources. The experimental technique and the procedure of reconstructing a 3D image of dislocation half-loops near the Si crystal surface are described. The sizes of observed linear defects with a spatial resolution of about 10 μm are estimated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Experimental investigation of the effect of compliant pores on reservoir rocks under hydrostatic and triaxial compression stress states

The presence of compliant pores in rocks is important for understanding the stress–strain behaviors under different stress conditions. This paper describes findings on the effect of compliant pores on the mechanical behavior of a reservoir sandstone under hydrostatic and triaxial compression. Laboratory experiments were conducted at reservoir temperature on Weber Sandstone samples from the Rock Springs Uplift, Wyoming. Each experiment was conducted at three sequential stages: (stage 1) increase in the confining pressure while maintaining the pore pressure, (stage 2) increase in the pore pressure while maintaining the confining pressure, and (stage 3) application of the deviatoric load to failure. The nonlinear pore pressure – volumetric strain relationship governed by compliant pores under low confining pressure changes to a linear behavior governed by stiff pores under higher confining pressure. The estimated compressibilities of the matrix material in sandstone samples are close to the typical compressibility of quartz. Because of the change in pore structures during stage 1 and stage 2 loadings, the estimated bulk compressibilities of the sandstone sample under the lowest confining pressure decrease with increasing differential pressure. The increase in crack initiation stress is limited with increasing differential pressure because of similar total crack length governed by initial compliant porosity in sandstone samples.

Engineering↗
DOE OSTI2017

Additive and Non-Additive Genetic Variances for Tree Growth in Several Hybrid Poplar Populations and Implications Regarding Breeding Strategy

Populus species (P. deltoides, P. maximowiczii, P. nigra) and their inter-specific hybrids were tested for growth rate over a five year period at four test locations in Minnesota, USA, to estimate genetic variance components. The breeding scheme incorporated recurrent selection of full-sib families of pure species parents, production of F 1 inter-specific hybrids from selected families, and selection of clones within the F 1 s. Improvement of yield through time using this scheme is predicated on the assumption that additive effects comprise a significant portion of the total genetic variance. The estimates of additive and non-additive variances reported are not traditional point estimates, because a fully balanced mating design was impossible due to parental incompatibilities which result in incomplete breeding matrices. Instead, bounded estimates, not previously used in tree genetics research, are derived from linear combinations of formulae of genetic expectations observed among-family, among-clone, and environmental variances. Our results suggest that combined family and mass selection would lead to increases in growth rate of 27 % and 47 % per generation in P. deltoides and P. nigra , respectively. Broad sense-based clonal selection within the F 1 could yield selection responses in excess of 90 % of the mean of such populations. Among-family variance comprised about 1/3 of total genetic variance while within-family variance was always about 2/3 of total genetic variance, regardless of pedigree. With this beind said, the results indicate that recurrent intraspecific selective breeding followed by interspecific hybridization and non-recurrent selection based on broad sense genetic variation would constitute an effective yield improvement strategy.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1976

An algorithm for the weighting matrices in the sampled-data optimal linear regulator problem

The sampled-data optimal linear regulator problem provides a means whereby a control designer can use an understanding of continuous optimal regulator design to produce a digital state variable feedback control law which satisfies continuous system performance specifications. A basic difficulty in applying the sampled-data regulator theory is the requirement that certain digital performance index weighting matrices, expressed as complicated functions of system matrices, be computed. Infinite series representations are presented for the weighting matrices of the time-invariant version of the optimal linear sampled-data regulator problem. Error bounds are given for estimating the effect of truncating the series expressions after a finite number of terms, and a method is described for their computer implementation. A numerical example is given to illustrate the results.

Armstrong, E. S.↗
NASA NTRS1978

An extended Kalman-Bucy filter for atmospheric temperature profile retrieval with a passive microwave sounder

An extended Kalman-Bucy filter has been implemented for atmospheric temperature profile retrievals from observations made using the Scanned Microwave Spectrometer (SCAMS) instrument carried on the Nimbus 6 satellite. This filter has the advantage that it requires neither stationary statistics in the underlying processes nor linear production of the observed variables from the variables to be estimated. This extended Kalman-Bucy filter has yielded significant performance improvement relative to multiple regression retrieval methods. A multi-spot extended Kalman-Bucy filter has also been developed in which the temperature profiles at a number of scan angles in a scanning instrument are retrieved simultaneously. These multi-spot retrievals are shown to outperform the single-spot Kalman retrievals.

Ledsham, W. H.↗
NASA NTRS1981

Calculation of atmospheric loss from microwave radiometric noise temperature measurements

Microwave propagation loss in the atmosphere can be inferred from microwave radiometric noise temperature measurements. The relevant equations are given and a derivation and calculation is made assuming various physical models. Comparison is made with the commonly used lumped element atmospheric model (isothermal and uniform loss) and the model with linear temperature and exponential loss distributions. The results are useful for estimating the integral inversion differences due to the model selection. This indicates that the commonly used lumped element atmospheric model is a very good approximation with judicious choice of the effective physical temperature. For the worst case comparison, the lumped element model agrees with the variable parameter model within 0.2 dB up to a propagation loss of 3 dB.

Stelzried, C.↗
NASA NTRS1981

Parameter estimation of nonlinear nonautonomous distributed systems

We present an abstract approximation framework for estimation of parameters in nonlinear nonautonomous distributed systems. Specific examples involving linear spline approximations for retarded delay equations and cubic spline approximations for parabolic partial differential equations are discussed and shown to be included as special cases of our general framework.

Banks, H. T.↗
NASA NTRS1985

The Accuracy of Radio Interferometric Measurements of Earth Rotation

The accuracy of very long base interferometry earth rotation (UT1) measurements is examined by intercomparing TEMPO and POLARIS data for 1982 and the first half of 1983. None of these data are simultaneous, and so a proper intercomparison requires accounting for the scatter introduced by the rapid, unpredictable, UT1 variations driven by exchanges of angular momentum with the atmosphere. A statistical model of these variations, based on meteorological estimates of the Atmospheric Angular Momentum is derived, and the optimal linear (Kalman) smoother for this model is constructed. The scatter between smoothed and independent raw data is consistent with the residual formal errors, which do not depend upon the actual scatter of the UT1 data. This represents the first time that an accurate prediction of the scatter between UT1 data sets were possible.

Eubanks, T. M.↗
NASA NTRS1983

Early season spring small grains direct proportion estimation - Development and evaluation of a Landsat based methodology

The Inventory Technology Development (ITD) project of the Agriculture and Resources Inventory Surveys Through Aerospace Remote Sensing (AgRISTARS) program has developed an accurate, automated technology for early season estimation of spring small grains areal proportion from Landsat MSS data. The design criteria for an early season procedure included estimates available within the first 30 days of the growing season, low data processing/preprocessing requirements and no need for scene-to-scene registration. The prototype estimator which meets the design goals is based on a constrained linear model in which the observed spectral response of an entire scene is modeled as a linear combination of the major constituent elements in the scene. The procedure was evaluated over 100 sample segments collected for crop years 1976 through 1979 in the U.S. Northern Great Plains. Analysis of the test results indicated accuracy that compare favorably with both the automated at-harvest technologies tested during the FY81-82 AgRISTARS Spring Small Grains Pilot experiments and earlier analyst-intensive at-harvest technologies.

Phinney, D. E.↗