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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Radionuclide-specific Parameters Dataset

The radionuclide-specific parameters dataset is searchable for radiological information for multiple isotopes simultaneously. After selecting radionuclides of interest and the desired parameters, the RAIS will generate a table containing the values, chosen according to an established hierarchy. Results can be downloaded in Excel format. 50 parameters are available, including atomic number, soil to animal transfer coefficients, plant uptake coefficients, half-life, specific activity, and water solubility. Seven primary sources are used to populate the dataset of radiological-specific parameters. These values should be used in cancer risk assessments for the calculation of preliminary remediation goals (PRGs), hazard characterization, and transport modeling. Users can select up to 1000 radionuclides per query. The dataset supports environmental risk assessments, regulatory decision-making, and environmental planning with tools for benchmarking against risk-based standards. This structured approach ensures a robust evaluation of environmental risks tailored to regulatory needs.

Manning, Karessa [Oak Ridge National Laboratory (O↗
DOE OSTI2024

Chemical-specific Parameters Dataset

The chemical-specific parameters dataset is searchable for physicochemical information for multiple chemicals simultaneously. After selecting chemicals of interest and the desired parameters, the RAIS will generate a table containing the values, chosen according to an established hierarchy. Results can be downloaded in Excel format. Over 40 parameters are available, including melting point, boiling point, density, density, vapor pressure, water solubility, and Henry’s Law constants. Thirteen primary sources are used to populate the dataset of chemical-specific parameters. These values should be used in cancer risk and noncancer hazard assessments for the calculation of preliminary remediation goals (PRGs), hazard characterization, and transport modeling. Users can select up to 1000 chemicals per query. The dataset supports environmental risk assessments, regulatory decision-making, and environmental planning with tools for benchmarking against risk-based standards. This structured approach ensures a robust evaluation of environmental risks tailored to regulatory needs.

Dolislager, Fred [Oak Ridge National Laboratory (O↗
DOE OSTI2024

Efficient sensitivity analysis of the thermal profile in powder bed fusion of metals using hypercomplex automatic differentiation finite element method

Rapid cyclic temperature fluctuation occurring in powder bed fusion of metals using a laser beam (PBF-LB/M) influences the formation of flaws in printed parts. Consequently, there is a pressing need to enhance the quality of printed parts by developing innovative methodologies that can predict thermal histories and help uncover the intricate relationships between process parameters and thermal profiles. Sensitivity Analysis (SA) emerges as an essential tool for this, offering the potential for process optimization and enhanced quality control. Nonetheless, conventional SA methodologies often incur in excessive computational costs and potential numerical approximation errors. Here, to address this technical challenge, we present a novel method for SA that integrates the HYPercomplex-based Automatic Differentiation (HYPAD) technique with transient thermal simulations conducted via the finite element method (FEM). Leveraging this methodology, we efficiently and accurately perform SA for PBF-LB/M processes in a post-processing step. Compared to traditional methods like Finite Differences (FD), HYPAD-FEM required 96 % less computational time for obtaining sensitivities for 22 process parameters, under a comparative study conducted within the context of the 2018–02 AM benchmark of the National Institute of Standards and Technology. In summary, HYPAD-FEM offers superior efficiency and accuracy in SA over conventional methods, delivering the best sensitivity of a model without the need for step-size selection and problem or parameter-based implementations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A review of thermo-hydro-mechanical modeling of coupled processes in fractured rock: From continuum to discontinuum perspective

Coupled thermo-hydro-mechanical (THM) processes in fractured rock are playing a crucial role in geoscience and geoengineering applications. Diverse and conceptually distinct approaches have emerged over the past decades in both continuum and discontinuum perspectives leading to significant progress in their comprehending and modeling. This review paper offers an integrated perspective on existing modeling methodologies providing guidance for model selection based on the initial and boundary conditions. By comparing various models, one can better assess the uncertainties in predictions, particularly those related to the conceptual models. The review explores how these methodologies have significantly enhanced the fundamental understanding of how fractures respond to fluid injection and production, and improved predictive capabilities pertaining to coupled processes within fractured systems. It emphasizes the importance of utilizing advanced computational technologies and thoroughly considering fundamental theories and principles established through past experimental evidence and practical experience. The selection and calibration of model parameters should be based on typical ranges and applied to the specific conditions of applications. The challenges arising from inherent heterogeneity and uncertainties, nonlinear THM coupled processes, scale dependence, and computational limitations in representing field scale fractures are discussed. Realizing potential advances on computational capacity calls for methodical conceptualization, mathematical modeling, selection of numerical solution strategies, implementation, and calibration to foster simulation outcomes that intricately reflect the nuanced complexities of geological phenomena. Future research efforts should focus on innovative approaches to tackle the hurdles and advance the state-of-the-art in this critical field of study.

Coupling scheme↗
DOE OSTI2024

RAIS Preliminary Remediation Goals for Chemicals

Chemical preliminary remediation goals (PRGs) (https://rais.ornl.gov/cgibin/prg/PRG_search?select=chem) are calculated by selecting the applicable chemical(s) together with the applicable media, land use, and exposure route combination. If “site-specific” is selected as the PRG type, the following page will show the equations and exposure parameters used for deriving the PRGs, and some of the parameter values may be changed as necessary. If “default” is selected as the PRG type, the RAIS will proceed directly to the results page. Multiple chemicals can be selected. Results can be downloaded in .xlsx or .pdf formats. Additionally, the session inputs for the PRG calculator can be saved for future use and recalled by the PRG calculator. The derivation of the selected PRG and the applicable equations and exposure parameters can be reviewed in more detail using the RAIS Chemical PRG Calculator User Guide (https://rais.ornl.gov/tools/rais_chemical_prg_guide.html).

Manning, Karessa [Oak Ridge National Laboratory (O↗
DOE OSTI2024

Development of typical solar years and typical wind years for efficient assessment of renewable energy systems across the U.S.

Weather data plays a critical role in renewable energy analysis. Compared to using multiple Actual Meteorological Years, simulations using a single typical year require significantly fewer computational resources. Previous efforts to create typical weather datasets for renewable energy analysis either lack justified or optimized strategies for selecting and weighting different weather parameters or are limited to a few specific locations. Here, in this study, we developed a dataset comprising Typical Solar Years (TSYs) and Typical Wind Years (TWYs) for over 2000 locations across the U.S., based on data from NASA's POWER project. The strategies for creating TSYs and TWYs were optimized based on the simulated outputs of various PV systems and wind turbines in 16 representative cities. This dataset provides an efficient means for the rapid evaluation and optimization of renewable energy systems throughout the entire U.S. Additionally, the optimal strategies identified in this study can be directly applied to create near-optimal TSYs and TWYs for most locations worldwide. However, readers can also employ the optimization approach presented in this work to develop optimal strategies tailored for particular regions.

NASA POWER↗
DOE OSTI2025

Impact of recent ENDF nuclear data update, high initial enrichment and high burnup fuel on critical experiments applicability determination via the integral index c k for burnup credit validation

In 2012, NUREG/CR-7109 reported on the validation of burnup credit calculations involving major and minor actinides and major fission products which was investigated for pressurized and boiling water reactor (PWR and BWR) fuel enrichments up to 5 wt% 235 U and assembly-average burnups up to 60 GWd/MTU. Recently, there has been interest in increasing the maximum enrichment used in PWR fuel as high as 8 wt% 235 U and correspondingly increasing the maximum assembly-average burnups to approximately 75 GWd/MTU. These proposed increases in enrichment and burnup necessitate reinvestigation of the validation basis for k eff calculations for this expanded application space. Additionally, the 2012 study was performed by using the Evaluated Nuclear Data File (ENDF)/B-VII.0 nuclear data with the SCALE 6 covariance library, and the effects of using the newly released ENDF/B-VII.1 and ENDF/B-VIII.0 nuclear data and covariance libraries should be evaluated. In this work, published in NUREG/CR-7309 in 2025, the validation assessment was performed consistently with NUREG/CR-7109: modeling irradiated fuel assemblies in the Generic Burnup Credit (GBC)-32 cask defined in NUREG/CR-6747. The TSUNAMI-3D sequence was used to generate sensitivity data for the application model, and the data were compared with sensitivity data from select benchmark models. The integral parameter c k is the metric of similarity used in this study and is consistent with NUREG/CR-7109, where a c k value in excess of 0.8 indicates sufficient similarity for use in validation. A new set of benchmark experiments with sensitivity data has been assembled for this effort. The number of experiments with available sensitivity data is now 2,104, compared to 474 in NUREG/CR-7109. This increase was facilitated by the efforts of the Nuclear Energy Agency to generate sensitivity data for a majority of the experiments in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook to supplement the data available in the Oak Ridge National Laboratory (ORNL) Verified, Archived Library of Inputs and Data (VALID). The complete set of benchmarks considered here includes experiments for low-enriched uranium (LEU), intermediate enriched uranium (IEU), and a mixture of uranium and plutonium (MIX) from the ICSBEP Handbook and VALID, as well as ORNL models of the Haut Taux de Combustion (HTC) experiments and other potentially relevant models not included in VALID. The updated similarity study shows that none of the extended burnup and higher enrichment combinations considered show a significant decrease in the number of potentially applicable experiments, meaning sufficient critical experiments exist for the validation of BUC criticality safety calculations, with initial enrichments up to 8 wt% 235 U and burnups up to 80 GWd/MTU. Additionally, both the ENDF/B-VII.1 and ENDF/B-VIII.0 nuclear data libraries can be used for validation since the number of critical experiments applicable for validation increases for most cases with the most recent nuclear data compared to the previous one. As in previous BUC validation studies, the French HTC experiments are the most similar in a majority of the application cases studied, especially from representative discharge burnups ranging from 40 to 80 GWd/MTU. In conclusion, these results match the conclusions presented in NUREG/CR-7109 regarding validation of the primary actinides in BUC analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

The Localized Active Space Method with Unitary Selective Coupled Cluster

Here, we introduce a hybrid quantum-classical algorithm, the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. Derived from the localized active space unitary coupled cluster (LAS-UCCSD) method, LAS-USCCSD first performs a classical LASSCF calculation, then selectively identifies the most important parameters (cluster amplitudes used to build the multireference UCC ansatz) for restoring interfragment interaction energy using this reduced set of parameters with the variational quantum eigensolver method. We benchmark LAS-USCCSD against LAS-UCCSD by calculating the total energies of (H 2 ) 2 , (H 2 ) 4 , and trans-butadiene, and the magnetic coupling constant for a bimetallic compound [Cr 2 (OH) 3 (NH 3 ) 6 ] 3+ . For these systems, we find that LAS-USCCSD reduces the number of required parameters and thus the circuit depth by at least 1 order of magnitude, an aspect which is important for the practical implementation of multireference hybrid quantum-classical algorithms like LAS-UCCSD on near-term quantum computers.

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

Autonomous stabilization with programmable stabilized state

Reservoir engineering is a powerful technique to autonomously stabilize a quantum state. Traditional schemes involving multi-body states typically function for discrete entangled states. In this work, we enhance the stabilization capability to a continuous manifold of states with programmable stabilized state selection using multiple continuous tuning parameters. We experimentally achieve 84.6% and 82.5% stabilization fidelity for the odd and even-parity Bell states as two special points in the manifold. We also perform fast dissipative switching between these opposite parity states within 1.8 μs and 0.9 μs by sequentially applying different stabilization drives. Our result is a precursor for new reservoir engineering-based error correction schemes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Development of near-optimal advanced control sequences for chiller plants with water-side economizers in U.S. Climates (ASHRAE RP-1661)

Various advanced control sequences for chiller plants with water-side economizers (WSE) have been proposed in literature, but the evaluation and optimization of those controls is limited. It is possible to maximize energy savings by selecting different sequences and related parameters based on the plant configuration, load, and climate. This paper addresses this gap by developing near-optimal advanced control sequences for chiller plants with WSEs. First, advanced control sequences for chiller plants with WSEs are categorized into condenser water, chilled water, and hybrid controls and representative sequences from each category are identified. Next, 504 different scenarios are optimized. These scenarios represent all possible combinations of two plant configurations, a constant or variable load profile, three advanced control sequences, and seven optimization parameter combinations in six climate zones. The results show the recommended near-optimal sequences can reduce energy consumption by up to 15% relative to the baseline depending on the configuration, load profile, and climate. Specifically, the CW-CHW sequence is recommended for the majority of systems because it is often the most energy efficient and/or reduces the runtime of chillers. The methodology in this paper provides practical guidance for achieving energy savings through near-optimal control of chiller plants with WSEs.

42 ENGINEERING↗
DOE OSTI2024

Fabrication of model ultrafiltration membranes with uniform, high aspect ratio pores

Here, in this manuscript, we report the facile fabrication of large-area model membranes with highly uniform and high aspect ratio pores with diameters <20 nm. These membranes are useful for fundamental investigations of separation by size exclusion in the ultrafiltration regime, where species to be separated from solution have dimensions of 1–100 nm. Such investigations require membranes with narrow pores and high aspect ratios such that the Hagen–Poiseuille equation is followed, enabling well-known models such as the hindered transport model to be evaluated and other affecting factors to be ignored. We demonstrate that the sub-20 nm pores in the membrane are of sufficiently high aspect ratio such that water flux through the membrane is consistent with the Hagen–Poiseuille equation. The fabrication relies on self-assembling block copolymers to form uniform, densely packed patterns with sub-20 nm resolution, sequential infiltration synthesis to convert the block copolymer in situ into a mask with adequate contrast to etch pores with an aspect ratio >5, and low-resolution photolithography to transfer the pattern over a large area into a silicon nitride membrane. Model membranes with narrow pore-size distribution fabricated in this way provide the means to investigate parameters that impact size-selective ultrafiltration separations such as the relationships between solute or particle size and pore size, their distributions, and rejection profiles, and, therefore, test the validity or limits of separation models.

Chen, Wen↗
DOE OSTI2024

Successful Cleanroom Installation of PIP-II SSR2 Coupler Using Robotic Arm

The Fermilab Side-Coupled Linac accelerates H- beam from 116 MeV to 400 MeV through seven 805 MHz modules. Twelve wire scanners are present in the Side Coupled Linac and four are present in the transfer line between the Linac and the Booster synchrotron ring. These wire scanners act as important diagnostic instruments to directly collect information on the beam s transverse distribution. The manipulation of the conditions of wire scanner data collection enables further characterization of the beamline, such as calculating emittance and the Twiss parameters of the beam at select regions. Here we present the results of these studies and characterization of the non-Gaussian transverse beam distribution observed.

Narug, C.↗
DOE OSTI2024

Emittance Measurements with Wire Scanners in the Fermilab Side-Coupled Linac

The Fermilab Side-Coupled Linac accelerates H- beam from 116 MeV to 400 MeV through seven 805 MHz modules. Twelve wire scanners are present in the Side Coupled Linac and four are present in the transfer line between the Linac and the Booster synchrotron ring. These wire scanners act as important diagnostic instru-ments to directly collect information on the beam s transverse distribution. The manipulation of the condi-tions of wire scanner data collection enables further characterization of the beamline, such as calculating emittance and the Twiss parameters of the beam at select regions. Here we present the results of these studies and characterization of the non-Gaussian transverse beam distribution observed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Rapid Optimization of Total Variation with Applications in Imaging, Additive Manufacturing, and Qualification

Total Variation optimization penalizes the gradient of a control variable or state. While this work focuses on image processing in particular, it has also found applications in inverse problems and topology optimization. In image processing, the goal is to maintain faithfulness to the original image while denoising and/or deblurring. Additionally, bilevel optimization over the spatially varying regularization weights can illuminate interfaces such as damage regions and other anomalies. We will address two fundamental challenges with TV-optimization: (i) the typical slow convergence of existing TV-optimization methods, and (ii) the selection of spatially varying TV parameters to promote interface detection. Additionally, we will apply such techniques to image data collected in additive manufacturing. In said context, stochasticity in build events induces flaws in the manufactured piece, compromising the integrity of said part. There is a critical need for in-situ monitoring to spot anomalies once they form, and in this setting we apply our total variation and hyperparameter solvers. We will develop a customized algorithm based on for extreme-scale TV-optimization that achieves super-linear or quadratic-convergence, a critical property for real-time, image-by-image analysis. A worst-case outcome is a preprocessing step that enhances image quality in-situ, specifically for out-of-focus and noisy images.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Physics-Based Machine Learning Methods for U-235 Forensics Signatures

Signatures of low-intensity U-235 sources have been recently studied by utilizing a variety of machine learning (ML) classifiers using features derived from gamma spectral measurements collectedunder structured campaigns. Several ML classifiers, such as ensemble of tress and classification trees, revealed misleadingly-optimistic training error due to over-fitting, and furthermore,their performance is not directly relatable to the physical properties due to their data-driven, opaque designs. We present a regression-based ML method that first estimates the inverse distanceto the source and then utilizes a threshold to infer its presence, by representing the background as a source located at an infinite distance. For the inverse distance estimation, we study the ensembleof trees and Gaussian process regression methods, and a hyper parameter auto-tuning and selection method that employs five regression estimators. These methods avoid the over-fittingobserved in several ML classifiers, while providing the classification error nearly comparable to them based on independent test data. Their error is directly related to estimates of the inversephysical distance to source, and the precision of error determines the seperability property that determines the false alarm and missed detection rates. The property of monotonic decrease of thesource strength with increasing detector distance combined with Poisson distribution of measurements is utilized to analytically validate these methods by deriving the generalization equations ofunderlying regression methods.

Rao, Nageswara↗
DOE OSTI2024

Emittance Measurements with Wire Scanners in the Fermilab Side-coupled Linac

The Fermilab Side-Coupled Linac accelerates H-beam from 116 MeV to 400 MeV through seven 805 MHz modules. Twelve wire scanners are present in the Side Coupled Linac and four are present in the transfer line between the Linac and the Booster synchrotron ring. These wire scanners act as important diagnostic instruments to directly collect information on the beam's transverse distribution. The manipulation of the conditions of wire scanner data collection enables further characterization of the beamline, such as calculating emittance and the Twiss parameters of the beam at select regions, which we present here.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Physics-Based Machine Learning Methods for U-235 Forensics Signatures

Signatures of low-intensity U-235 sources have been recently studied by utilizing a variety of machine learning (ML) classifiers using features derived from gamma spectral measurements collected under structured campaigns. Several ML classifiers, such as ensemble of tress and classification trees, revealed misleadingly-optimistic training error due to over-fitting, and furthermore, their performance is not directly relatable to the physical properties due to their data-driven, opaque designs. We present a regression-based ML method that first estimates the inverse distance to the source and then utilizes a threshold to infer its presence, by representing the background as a source located at an infinite distance. For the inverse distance estimation, we study the ensemble of trees and Gaussian process regression methods, and a hyper parameter auto-tuning and selection method that employs five regression estimators. These methods avoid the over-fitting observed in several ML classifiers, while providing the classification error nearly comparable to them based on independent test data. Their error is directly related to estimates of the inverse physical distance to source, and the precision of error determines the seperability property that determines the false alarm and missed detection rates. The property of monotonic decrease of the source strength with increasing detector distance combined with Poisson distribution of measurements is utilized to analytically validate these methods by deriving the generalization equations of underlying regression methods.

Rao, Nageswara↗
DOE OSTI2024

RAIS Preliminary Remediation Goals for Radionuclides

Radionuclide PRGs (https://rais.ornl.gov/cgi-bin/prg/PRG_search?select=rad) are calculated by selecting the applicable radionuclide(s) together with the applicable media, land use, and exposure route combination. If “site-specific” is selected as the PRG type, the following page will show the equations and exposure parameters used for deriving the PRGs, and some of the parameter values may be changed as necessary. If “default” is selected as the PRG type, the RAIS will proceed directly to the results page. Multiple radionuclides can be selected with this tool. Results can be downloaded in .xlsx or .pdf formats. Additionally, the session inputs for the PRG calculator can be saved for future use and recalled by the PRG calculator. The derivation of the selected PRG(s) and the applicable equations and exposure parameters can be reviewed in more detail using the RAIS Radionuclide PRG Calculator User Guide available here: https://rais.ornl.gov/tools/rais_rad_prg_guide.html. html.

Manning, Karessa [Oak Ridge National Laboratory (O↗