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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.

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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Bayesian inference for heterogeneous caprock permeability based on above zone pressure monitoring

The presence of faults/ fractures or highly permeable zones in the primary sealing caprock of a CO2 storage reservoir can result in leakage of CO2. Monitoring of leakage requires the capability to detect and resolve the onset, location, and volume of leakage in a systematic and timely manner. Pressure-based monitoring possesses such capabilities. This study demonstrates a basis for monitoring network design based on the characterization of CO2 leakage scenarios through an assessment of the integrity and permeability of the caprock inferred from above zone pressure measurements. Four representative heterogeneous fractured seal types are characterized to demonstrate seal permeability ranging from highly permeable to impermeable. Based on Bayesian classification theory, the probability of each fractured caprock scenario given above zone pressure measurements with measurement error is inferred. The sensitivity to injection rate and caprock thickness is also evaluated and the probability of proper classification is calculated. The time required to distinguish between above zone pressure outcomes and the associated leakage scenarios is also computed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Magnetic Resonance Imaging Assessment of Spinal Cord and Cauda Equina Motion in Supine Patients With Spinal Metastases Planned for Spine Stereotactic Body Radiation Therapy

Purpose: To assess motion of the spinal cord and cauda equina, which are critical neural tissues (CNT), which is important when evaluating the planning organ-at-risk margin required for stereotactic body radiation therapy. Methods and Materials: We analyzed CNT motion in 65 patients with spinal metastases (11 cervical, 39 thoracic, and 24 lumbar spinal segments) in the supine position using dynamic axial and sagittal magnetic resonance imaging (dMRI, 3T Verio, Siemens) over a 137-second interval. Motion was segregated according to physiologic cardiorespiratory oscillatory motion (characterized by the average root mean square deviation) and random bulk shifts associated with gross patient motion (characterized by the range). Displacement was evaluated in the anteroposterior (AP), lateral (LR), and superior-inferior (SI) directions by use of a correlation coefficient template matching algorithm, with quantification of random motion measure error over 3 separate trials. Statistical significance was defined according to P<.05. Results: In the AP, LR, and SI directions, significant oscillatory motion was observed in 39.2%, 35.1%, and 10.8% of spinal segments, respectively, and significant bulk motions in all cases. The median oscillatory CNT motions in the AP, LR, and SI directions were 0.16 mm, 0.17 mm, and 0.44 mm, respectively, and the maximal statistically significant oscillatory motions were 0.39 mm, 0.41 mm, and 0.77 mm, respectively. The median bulk displacements in the AP, LR, and SI directions were 0.51 mm, 0.59 mm, and 0.66 mm, and the maximal statistically significant displacements were 2.21 mm, 2.87 mm, and 3.90 mm, respectively. In the AP, LR, and SI directions, bulk displacements were greater than 1.5 mm in 5.4%, 9.0%, and 14.9% of spinal segments, respectively. No significant differences in axial motion were observed according to cord level or cauda equina. Conclusions: Oscillatory CNT motion was observed to be relatively minor. Our results support the importance of controlling bulk patient motion and the practice of applying a planning organ-at-risk margin.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Results From the Imaging and Radiation Oncology Core Houston's Anthropomorphic Phantoms Used for Proton Therapy Clinical Trial Credentialing

Purpose: The purpose of this study was to summarize the findings of anthropomorphic proton phantom irradiations analyzed by the Imaging and Radiation Oncology Core Houston QA Center (IROC Houston). Methods and Materials: A total of 103 phantoms were irradiated by proton therapy centers participating in clinical trials. The anthropomorphic phantoms simulated heterogeneous anatomy of a head, liver, lung, prostate, and spine. Treatment plans included those for scattered, uniform scanning, and pencil beam scanning beam delivery modalities using 5 different treatment planning systems. For every phantom irradiation, point doses and planar doses were measured using thermoluminescent dosimeters (TLD) and film, respectively. Differences between measured and planned doses were studied as a function of phantom, beam delivery modality, motion, repeat attempt, treatment planning system, and date of irradiation. Results: The phantom pass rate (overall, 79%) was high for simple phantoms and lower for phantoms that introduced higher levels of difficulty, such as motion, multiple targets, or increased heterogeneity. All treatment planning systems overestimated dose to the target, compared to TLD measurements. Errors in range calculation resulted in several failed phantoms. There was no correlation between treatment planning system and pass rate. The pass rates for each individual phantom are not improving over time, but when individual institutions received feedback about failed phantom irradiations, pass rates did improve. Conclusions: The proton phantom pass rates are not as high as desired and emphasize potential deficiencies in proton therapy planning and/or delivery. There are many areas for improvement with the proton phantom irradiations, such as treatment planning system dose agreement, range calculations, accounting for motion, and irradiation of multiple targets.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Development of metallic nuclear material purification process via simultaneous chlorination and volatilization

Here, a purification process involving simultaneous chlorination and volatilization is reported using aluminum, iron, gallium, and uranium separation from cerium metal as the demonstration system. Anhydrous Cl 2 gas was reacted with the metal after it had been converted to small particles of hydride at temperatures ranging from 523 to 973 K. Each of the impurities should form chlorides with relatively high saturated vapor pressures. The objective of the process was to volatilize these chlorides after first achieving near-complete conversion of the metals to hydride and then chlorides. Complete conversion of hydrides to chlorides could not be achieved using relatively low-grade (99.5%) Cl 2 . High decontamination factors for all of the metal impurities required near complete conversion to chloride. It was concluded that oxygen contamination of the feed gas stream likely limits the conversion to chlorides by forming oxides instead, which then limits the volatilization of contaminants. Uranium was particularly challenging to remove in experiments suspected of having high oxygen contamination in the feed gas stream. After switching to ultra-high purity (99.999%) Cl 2 , complete conversion to chlorides within the measurement error was possible for the entire temperature range studied. Decontamination factors for aluminum, iron, gallium, and uranium were found to have average values of 1.9, 9.8, 14, and 5, respectively, at 973 K. While the process was most extensively studied using a once-through gas flow, recycling unreacted Cl 2 gas succeeded at minimizing waste while still maintaining complete conversion and similar decontamination factors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

A scalable design of experiments framework for optimal sensor placement

Here, we present a scalable design of an experiments framework for sensor placement in systems described by partial differential equations (PDEs). In particular, we aim to compute optimal sensor locations by minimizing the uncertainty of parameters estimated from Bayesian inverse problems and where the system. The resulting problem is a computationally intractable mixed-integer nonlinear program constrained by PDEs. We approach this problem with two heuristics used in compressed sensing and optimal control literature: a sparsity-inducing approach and a sum-up rounding approach. We also investigate metrics to guide the design of experiments (the total flow variance and the A-optimal design criterion) and analyze the effect of different noise structures (white and colored). Using an application in natural gas pipelines, we conclude that the sum-up rounding approach approach gives the best results and produces shrinking gaps with increasing mesh resolution. We also observe that convergence for the white noise measurement error case is slower than for the colored noise case. For A-optimal design, the solution is close to a uniform distribution of sensors along the pipeline while for the flow variance design the distribution is unstructured.

42 ENGINEERING↗
DOE OSTI2014

Luminescence and radiation resistance of undoped NaI crystals

Highlights: • The performance of NaI scintillators depends on luminescence properties. • A criterion of crystals’ purity level is radiation colorability at room temperature. • The traces of the most dangerous impurities were detected. • Crucial role in efficiency of pure NaI scintillator play the crystal perfection. - Abstract: Undoped NaI single crystal is an excellent scintillator at low temperature. However, scintillation parameters of different quality crystals vary in a wide range, significantly exceeding measurement error. Experimental data demonstrate the features of luminescence, radiation induced coloration, and afterglow dependence on the quality of nominally pure crystals. It is found that defects level that allows to elucidate artefacts introduced by traces of harmful impurities corresponds to 3 × 10{sup 15} cm{sup −3} that significantly overhead accuracy of chemical and absorption analysis. It is shown that special raw material treatment before and during the single crystal growth allows to reach NaI purity level that avoids impurities influence to the basic luminescence data.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A metal-ceramic coaxial cable with multipoint Fabry-Pérot interferometers for monitoring distributed high temperature

A metal ceramic coaxial cable (MCCC) sensor containing multiple Fabry-Pérot interferometers (FPIs) has been designed, fabricated, and evaluated for measuring distributed high temperatures. The MCCC sensor demonstrated here consists of stainless steel tube and wire conductors, alumina tube insulator, and three pairs of air gap reflectors distributed along the cable. The multipoint sensor operation is realized by the joint time-frequency domain technique, which combines the functions of time-domain reflectometry and frequency division multiplexing to enable the measurement of spatially distributed temperature. The 3-point MCCC-FPI sensor has been demonstrated for distributed temperature measurements between 250 and 550 °C and operability up to 1000 °C. The sensor offers high sensitivity of >0.18 MHz/°C with a measurement resolution of 1 Hz and reasonably small high temperature measurement error range of ±3 °C.

42 ENGINEERING↗
DOE OSTI2022

Inadequacy of current approaches for characterizing membrane transport properties at high salinities

Cost optimal design of osmotic membrane processes requires an accurate estimate of membrane transport parameters across their full operational range. However, standard approaches for estimating these parameters rely on empirical methods, the accuracy of which remains unquantified as a function of temperature, salinity, and measurement error. Herein, we present a systematic accuracy analysis of previously developed methods for estimation of membrane transport properties in reverse osmosis, high-pressure reverse osmosis, forward osmosis, pressure retarded reverse osmosis, and osmotically assisted reverse osmosis. We use a Monte Carlo approach to sample the full range of feasible membrane water permeabilities, salt permeabilities, structural parameters, and operating conditions for these processes. These material and process parameters are then incorporated into a physical transport model for each process. Our analysis shows that the statistical uncertainty of current empirical methods for estimating membrane parameters increases by 5 times from low-salinity to high-salinity conditions. Here, the result of this work demonstrates that empirical methods are inadequate for precisely estimating membrane transport properties at high salinity and highlight a critical need for the development of statistically validated higher accuracy methods.

42 ENGINEERING↗
DOE OSTI2019

Plastic deformation and material transfer on steel gage blocks during low force mechanical probing

Contact probing of gaging surfaces is enabled throughout dimensional metrology. Probe tips such as ruby, sapphire, or diamond are commonly employed as styli for universal length measuring machines (ULMs) and coordinate measuring machines (CMMs) due to the hardness, durability, and wear resistance. Gaging surfaces of gage blocks are precision ground or lapped, with very low surface roughness to enable wringing. Damage or contamination of these surfaces can prevent wringing and lead to measurement error. Experimental investigations using a horizontal ULM and CMM have revealed that even at low force settings (≤0.16 N), probe materials such as ruby and sapphire can cause plastic deformation to hardened carbon chrome steel (such as AISI 52,100) gage block surfaces at the microscale, likely attributed to fretting-associated wear. Under some conditions, permanent transfer of material from the probe stylus to the gaging surface is possible. Results show irreversible changes and damage to gaging surfaces with repeated probe contact on a ULM and CMM. Optical microscopy, optical profilometry, and scanning electron microscopy (SEM) provide a semi-quantitative assessment of microscale plastic deformation and material transfer. X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES), and Raman techniques validate chemical constituency of reference materials used (gage blocks and probes) and also identify makeup of deposits on gaging surfaces following probe contact.

42 ENGINEERING↗
DOE OSTI2020

Accounting for erroneous model structures in biokinetic process models

In engineering practice, model-based design requires not only a good process-based model, but also a good description of stochastic disturbances and measurement errors to learn credible parameter values from observations. However, typical methods use Gaussian error models, which often cannot describe the complex temporal patterns of residuals. Consequently, this results in overconfidence in the identified parameters and, in turn, optimistic reactor designs. Here, we assess the strengths and weaknesses of a method to statistically describe these patterns with autocorrelated error models. This method produces increased widths of the credible prediction intervals following the inclusion of the bias term, in turn leading to more conservative design choices. However, we also show that the augmented error model is not a universal tool, as its application cannot guarantee the desired reliability of the resulting wastewater reactor design.

42 ENGINEERING↗
DOE OSTI2016

A morphology independent methodology for quantifying planview river change and characteristics from remotely sensed imagery

Remotely sensed imagery of rivers has long served as a means for characterizing channel properties and detection of planview change. In the last decade the dramatic increase in the availability of satellite imagery and processing tools has created the potential to greatly expand the spatial and temporal scale of our understanding of river morphology and dynamics. To date, the majority of GIS and automated analyses of planview changes in rivers from remotely sensed data has been developed for single-threaded meandering river systems. These methods have limited applicability to many of the earth's rivers with complex multi-channel planforms. Here we present the methodologies of a set of analysis algorithms collectively called Spatially Continuous Riverbank Erosion and Accretion Measurements (SCREAM). SCREAM analyzes planview river metrics regardless of river morphology. These algorithms quantify both the erosion and accretion rates of riverbanks from binary masks of channels generated from imagery acquired at two time periods. Additionally, the program quantifies the area of change between river channels and the surrounding floodplain and area of islands lost or formed between these two time periods. To examine variations in erosion rates in relation to local channel attributes and make rate comparisons between river systems of varying sizes, the program determines channel widths and bank curvature at every bank pixel. SCREAM was developed and tested on rivers with diverse and complex planform morphologies in imagery acquired from a range of observational platforms with varying spatial resolutions. Here, validation and verification of SCREAM-generated metrics against manual measurements show no significant measurement errors in determination of channel width, erosion, and bank aspects. SCREAM has the potential to provide data for both the quantitative examination of the controls on erosion rates and for the comparison of these rates across river systems ranging broadly in size and planform morphology.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Experimental characterization of extreme temperature granular flows for solar thermal energy transport and storage

High-temperature, dense granular flows along an inclined plane were considered for solar thermal energy transport and storage with sintered bauxite particles. A series of experiments was performed for particle inlet temperatures of ~ 200, 400, 600, and 800 °C to understand the mechanisms of granular flows at extreme temperatures. Mass flow rates were measured using a load cell and free-surface velocities were measured and computed using particle image velocimetry. Surface temperatures were measured using infrared cameras. A significant decrease in steady-state particle mass flow rate was observed with increasing temperature due to changing flow properties. A decrease in bulk particle free-surface velocities was observed at higher temperatures. Free-surface velocity measurement error between experiments were within 20% of the average. The particle surface temperatures decreased from inlet to outlet with larger gradients at higher temperatures observed due to increasing convection and radiative heat losses. Here, a decrease in temperature was observed along the side walls due to a decrease in particle velocities.

14 SOLAR ENERGY↗
DOE OSTI2024

A flexible class of priors for orthonormal matrices with basis function-specific structure

Statistical modeling of high-dimensional matrix-valued data motivates the use of a low-rank representation that simultaneously summarizes key characteristics of the data and enables dimension reduction. Low-rank representations commonly factor the original data into the product of orthonormal basis functions and weights, where each basis function represents an independent feature of the data. However, the basis functions in these factorizations are typically computed using algorithmic methods that cannot quantify uncertainty or account for basis function correlation structure a priori. While there exist Bayesian methods that allow for a common correlation structure across basis functions, empirical examples motivate the need for basis function-specific dependence structure. We propose a prior distribution for orthonormal matrices that can explicitly model basis function-specific structure. The prior is used within a general probabilistic model for singular value decomposition to conduct posterior inference on the basis functions while accounting for measurement error and fixed effects. We discuss how the prior specification can be used for various scenarios and demonstrate favorable model properties through synthetic data examples. Finally, we apply our method to two-meter air temperature data from the Pacific Northwest, enhancing our understanding of the Earth system’s internal variability.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

The Application and Potential Artifacts of Zeeman Cold Vapor Atomic Absorption Spectrometry in Mercury Stable Isotope Analysis

Zeeman cold vapor atomic absorption spectrometry (CVAAS) has been widely used for environmental mercury (Hg) detection and quantification for decades, but little is known about its utility and potential artifacts in analyzing Hg with varying isotope compositions. We show that each Hg isotope responds differently by CVAAS analysis, with 200 Hg and 202 Hg isotopes exhibiting signal intensities ~10 times greater than those of 198 Hg and 201 Hg isotopes. However, all Hg isotopes show a linear correlation between Hg concentration and signal intensity, validated by both measurements and theoretical simulations. Zeeman CVAAS could thus offer a convenient, inexpensive tool for determining Hg isotopes, particularly in using one or two enriched Hg isotopes for tracing Hg biogeochemical transformations, such as partitioning, ion exchange, sorption–desorption, and methylation–demethylation in environmental matrices. Additionally, we caution that care must be taken when CVAAS is used for quantifying Hg in samples with changing isotope compositions to avoid measurement errors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Multiresolution Quantum Chemistry: Nonlinear Response Properties at the Basis Set Limit

We benchmark the accuracy of Dunning correlation-consistent Gaussian basis sets for computing frequencydependent second-order hyperpolarizabilities relevant to second-harmonic generation (SHG), using multiresolution analysis (MRA) as a reference. Basis set errors are analyzed using a unit-sphere representation of the effective hyperpolarizability vector, enabling direct assessment of directional error structure. We introduce a relative RMS total error metric that integrates directional deviations over the unit sphere and complement it with signed projection errors that distinguish over- and underestimation. Unsupervised clustering based on these signed directional metrics reveals four distinct convergence behaviors across a set of 68 molecules. Unitsphere visualizations of representative systems show that basis set errors are often highly anisotropic and localized along specific bond directions, even when global error measures appear small. Doubly augmented basis sets consistently outperform singly augmented ones, and core-polarization functions are required for uniform convergence in second-row systems. Overall, this work demonstrates that directional analysis combined with clustering provides a robust framework for understanding basis set convergence in nonlinear optical response properties.

Basis sets↗
DOE OSTI2017

Essentially Trap-Free CsPbBr 3 Colloidal Nanocrystals by Postsynthetic Thiocyanate Surface Treatment

We demonstrate postsynthetic modification of CsPbBr 3 nanocrystals by a thiocyanate salt treatment. This treatment improves the quantum yield of both freshly synthesized (PLQY ≈ 90%) and aged nanocrystals (PLQY ≈ 70%) to within measurement error (2-3%) of unity, while simultaneously maintaining the shape, size, and colloidal stability. Additionally, the luminescence decay kinetics transform from multiexponential decays typical of nanocrystalline semiconductors with a distribution of trap sites, to a monoexponential decay, typical of single energy level emitters. Thiocyanate only needs to access a limited number of CsPbBr 3 nanocrystal surface sites, likely representing under-coordinated lead atoms on the surface, in order to have this effect.

Koscher, Brent A.↗
DOE OSTI2012

On parameterization of the inverse problem for estimating aquifer properties using tracer data

We consider a field-scale tracer experiment conducted in 2007 in a shallow uranium-contaminated aquifer at Rifle, Colorado. In developing a reliable approach for inferring hydrological properties at the site through inverse modeling of the tracer data, decisions made on how to parameterize heterogeneity (i.e., how to represent a heterogeneous distribution using a limited number of parameters that are amenable to estimation) are of paramount importance. We present an approach for hydrological inversion of the tracer data and explore, using a 2D synthetic example at first, how parameterization affects the solution, and how additional characterization data could be incorporated to reduce uncertainty. Specifically, we examine sensitivity of the results to the configuration of pilot points used in a geostatistical parameterization, and to the sampling frequency and measurement error of the concentration data. A reliable solution of the inverse problem is found when the pilot point configuration is carefully implemented. In addition, we examine the use of a zonation parameterization, in which the geometry of the geological facies is known (e.g., from geophysical data or core data), to reduce the non-uniqueness of the solution and the number of unknown parameters to be estimated. When zonation information is only available for a limited region, special treatment in the remainder of the model is necessary, such as using a geostatistical parameterization. Finally, inversion of the actual field data is performed using 2D and 3D models, and results are compared with slug test data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Author Correction: Proton irradiation-decelerated intergranular corrosion of Ni-Cr alloys in molten salt

In the original version of this article, numbers for the beam current densities were incorrectly given as 1.5, 2.0, and 2.5 mA cm -2 in various locations, instead of the correct values 0.3, 0.4, and 0.5 mA cm -2 . This was owing to a measurement error coming from the indirect correspondence between the Faraday cup and the beam profile monitor (BPM) on the accelerator as the proton beam traveling along the beamline resulted in mismatching between calculated values and real beam currents, which were obtained by ex-situ calibration. The following changes have been made in the correct version. The eighth sentence of the Results, and the figure legend of Fig. 2j state '0.3, 0.4, 0.5 mA cm -2 ' in place of '1.5, 2.0, 2.5 mA cm -2 '. The figure legend of Fig. 1j–l states '0.5, 0.4, 0.3 mA cm -2 ' in place of '2.5, 2.0, 1.5 mA cm -2 '. Figure 1e states '0.5 mA cm -2 ' in place of '2.5 mA cm -2 ', Fig. 1h states '0.4 mA cm -2 ' in place of '2.0 mA cm -2 ', and Fig. 1k states ‘0.3 mA cm -2 ' in place of ‘1.5 mA cm -2 '. Figure 2c states '0.5 mA cm -2 ' in place of '2.5 mA cm -2 ', Fig. 2d states '0.4 mA cm -2 ' in place of '2.0 mA cm -2 ', and Fig. 2e states '0.3 mA cm -2 ' in place of '1.5 mA cm -2 '. Figure 2j and k states ‘0.3 mA cm -2 ', '0.4 mA cm -2 ', '0.5 mA cm -2 ' in place of '1.5 mA cm -2 ', '2.0 mA cm -2 ', and '2.5 mA cm -2 ', respectively. The figure legend of Fig. 3b states '0.4 mA cm -2 ' in place of '2.0 mA cm -2 '. The figure legend of Supplementary Fig. 1 states '0.5 mA cm -2 ' in place of '2.5 mA cm -2 '. This has been corrected in the PDF and HTML versions of the Article.

36 MATERIALS SCIENCE↗