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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Theoretical study of multiple equilibria in simple axisymmetric tropical circulations

The possibility that the asymmetric part of the atmospheric circulation can possess multiple equilibrium states is examined using a two-layer axisymmetric model involving balance equations on an equatorial beta plane. Mountains are excluded from consideration and a Newtonian cooling formulation represents thermal forcing. A temperature maximum at 25 deg N is selected to simulate summer conditions in the Northern Hemisphere. Steady-state solutions obtained are investigated for stability with regard to first and second y-mode perturbations. A single stable mode is found, together with two other quasi-stable states. Attention is given to numerically modeling multiple equilibria in symmetric circulations, and one steady-state is determined for the two-layer model. A model employing primitive equations with the Boussinesq approximation is also examined, and it also furnishes only one steady state. The reasons for the lack of multiple steady-states as derived by the models are discussed.

Goswami, B. N.↗
NASA NTRS1992

A comparison of lidar inversion methods for cirrus applications

Several methods for inverting the lidar equation are suggested as means to derive the cirrus optical properties (beta backscatter, alpha extinction coefficients, and delta optical depth) at one wavelength. The lidar equation can be inverted in a linear or logarithmic form; either solution assumes a linear relationship: beta = kappa(alpha), where kappa is the lidar ratio. A number of problems prevent us from calculating alpha (or beta) with a good accuracy. Some of these are as follows: (1) the multiple scattering effect (most authors neglect it); (2) an absolute calibration of the lidar system (difficult and sometimes not possible); (3) lack of accuracy on the lidar ratio k (taken as constant, but in fact it varies with range and cloud species); and (4) the determination of boundary condition for logarithmic solution which depends on signal to noise ration (SNR) at cloud top. An inversion in a linear form needs an absolute calibration of the system. In practice one uses molecular backscattering below the cloud to calibrate the system. This method is not permanent because the lower atmosphere turbidity is variable. For a logarithmic solution, a reference extinction coefficient (alpha(sub f)) at cloud top is required. Several methods to determine alpha(sub f) were suggested. We tested these methods at low SNR. This led us to propose two new methods referenced as S1 and S2.

Elouragini, Salem↗
DOE OSTI2025

Investigating Radiation-Induced Actinide Species in Solution

Our fundamental understanding of actinide radiation-induced redox chemistry is crucial due to their unavoidable exposure to ionizing radiation fields, both inherent and from in-process applications. Plutonium (Pu) and americium (Am) both possess multiple oxidation states, the careful manipulation of which are essential in the study and utilization of their rich chemistry, developing new nuclear technologies, and securing the long-term sustainability of nuclear power. However, knowledge in this area is far from complete. Consequently, we have studied the radiation-induced chemistry of both Pu and Am through a variety of techniques. Temperature-controlled electron pulse radiolysis has been used to study Am for the first time, determining the feasibility of Am redox reactions under used nuclear fuel reprocessing conditions, (e.g. nitric acid, non-ambient temperature). Additionally, we developed an experimentally evaluated multi-scale computer model for the prediction of gamma radiation-induced Pu redox chemistry due to radiolysis and disproportionation reactions in concentrated nitric acid solutions.

actinide↗
DOE OSTI2018

Demonstrating GPU code portability and scalability for radiative heat transfer computations

High performance computing frameworks utilizing CPUs, Nvidia GPUs, and/or Intel Xeon Phis necessitate portable and scalable solutions for application developers. Nvidia GPUs in particular present numerous portability challenges with a different programming model, additional memory hierarchies, and partitioned execution units among streaming multiprocessors. This work presents modifications to the Uintah asynchronous many-task runtime and the Kokkos portability library to enable one single codebase for complex multiphysics applications to run across different architectures. Scalability and performance results are shown on multiple architectures for a globally coupled radiation heat transfer simulation, ranging from a single node to 16,384 Titan compute nodes.

Computer Science↗
DOE OSTI2016

Two-particle correlation function and dihadron correlation approach

It is shown that, in the case of asymmetric nuclear interactions, the application of the traditional dihadron correlation approach to determining a two-particle correlation function C may lead to a form distorted in relation to the canonical pair correlation function {sub C}{sup 2}. This result was obtained both by means of exact analytic calculations of correlation functions within a simple string model for proton–nucleus and deuteron–nucleus collisions and by means of Monte Carlo simulations based on employing the HIJING event generator. It is also shown that the method based on studying multiplicity correlations in two narrow observation windows separated in rapidity makes it possible to determine correctly the canonical pair correlation function C{sub 2} for all cases, including the case where the rapidity distribution of product particles is not uniform.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Modeling of the Advanced Test Reactor Using OpenMC, Cubit and Griffin

In the pursuit of the ability to perform multiphysics simulations of the Advanced Test Reactor, it is crucial to have a fast and highly accurate deterministic model. To achieve this, a contemporary two-step method is employed. The first step involves generating homogenized cross sections using OpenMC, a cutting-edge Monte Carlo neutron transport code. OpenMC offers excellent modular capabilities, allowing for easy component integration and flexibility in incorporating new designs into the model. The second step involves deterministic transport calculations, which are performed using Griffin, a reactor multiphysics application based on the Multiphysics Object-Oriented Simulation Environment. To ensure the accurate spatial resolution and assignment of material cross sections, a Cubit-generated mesh for the Advanced Test Reactor is utilized as an intermediate step between the OpenMC and Griffin models; Griffin utilizes the mesh for its finite element solution, while OpenMC material IDs are written to the mesh file to be used in Griffin material assignments. Additionally, a Python-based script converts the cross sections generated by OpenMC into the ISOXML format required by Griffin. Preliminary comparisons indicate good agreement between the neutron multiplication factors obtained from the standalone OpenMC model and the Griffin model, with differences of less than 50 pcm in the two-dimensional geometry configuration. However, in three-dimensional calculations, an unacceptably large error is found in the Griffin solution. Future work is planned to resolve this discrepancy.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Model-parallel Fourier neural operators as learned surrogates for large-scale parametric PDEs

Fourier neural operators (FNOs) are a recently introduced neural network architecture for learning solution operators of partial differential equations (PDEs), which have been shown to perform significantly better than comparable deep learning approaches. Once trained, FNOs can achieve speed-ups of multiple orders of magnitude over conventional numerical PDE solvers. However, due to the high dimensionality of their input data and network weights, FNOs have so far only been applied to two-dimensional or small three-dimensional problems. To remove this limited problem-size barrier, we propose a model-parallel version of FNOs based on domain-decomposition of both the input data and network weights. Here, we demonstrate that our model-parallel FNO is able to predict time-varying PDE solutions of over 2.6 billion variables on Perlmutter using up to 512 A100 GPUs and show an example of training a distributed FNO on the Azure cloud for simulating multiphase CO 2 dynamics in the Earth’s subsurface.

58 GEOSCIENCES↗
NASA NTRS1978

A study of a multiple Cray-1 for fluid mechanics simulation

A study of the performance of the CRAY-1 and its architectural extensions was performed on 2-D and 3-D codes for the solution of the Navier-Stokes equations describing aerodynamic fluid flow. A standard 2-D code was benchmarked on the CRAY-1 and a preliminary version of a simulator of the CRAY-1 was programmed.

Calahan, D. A.↗
NASA NTRS1978

Simplified multiple scattering model for radiative transfer in turbid water

Quantitative analytical procedures for relating selected water quality parameters to the characteristics of the backscattered signals, measured by remote sensors, require the solution of the radiative transport equation in turbid media. Presented is an approximate closed form solution of this equation and based on this solution, the remote sensing of sediments is discussed. The results are compared with other standard closed form solutions such as quasi-single scattering approximations.

Ghovanlou, A. H.↗
NASA NTRSDate not supplied

Enhancing In-Flight Structural Health Monitoring of Vertical Lift Vehicles Operating in an Urban Environment

In-situ airframe sensors have long been considered a potential solution for structural health monitoring that could change the design, certification, operation and maintenance paradigms of flight vehicles. In this approach, large networks of sensors covering the entire, or most of, an airframe throughout its operational lifetime would support real-time decisions on airworthiness and obviate the need to overbuild components or perform multiple cycles of structural qualification testing and inspections. This concept would go beyond the current practice of placing select sensors in strategic locations or relying on such sensors only during airframe qualification flights and inspections. For vehicles in the emerging urban air mobility space, reducing weight associated with overbuilds and shortening down-time associated with inspections are critical for improving safety and affordability. In practice, the wide-scale use of in-situ sensors as primary assurance for structural health has not been demonstrated to be feasible or the best solution. A sensor integration testbed was developed as a platform to evaluate the potential of multiple sensor types to enable decision making on airworthiness. We report on the initial runs of this testbed with multiple sensors attached to a common test article. Metal foil strain gauges, eddy current, fiber optic, guided wave (acoustic emission and ultrasonic)and carbon nanotube roving sensors were affixed to the test article. Baseline as well as post damage initiation and fatiguing data are presented and discussed. Despite the relative simplicity of the test article, the interpretation of the as-captured test data was generally not conclusive or did not have wide enough coverage. This result emphasizes the challenges and current limitations both in testing and the practical broad application of embedded sensors as the determinative elements in critical decision making on wide-scale structural health.

Vertical Lift Vehicles↗
NASA NTRSDate not supplied

Enhancing In-Flight Structural Health Monitoring of Vertical Lift Vehicles Operating in an Urban Environment

In-situ airframe sensors have long been considered a potential solution for structural health monitoring that could change the design, certification, operation, and maintenance paradigms of flight vehicles. In this approach, large networks of sensors covering the entire, or most of, an airframe throughout its operational lifetime would support real-time decisions on airworthiness and obviate the need to overbuild components or perform multiple cycles of structural qualification testing and inspections. This concept would go beyond the current practice of placing select sensors in strategic locations or relying on such sensors only during airframe qualification flights and inspections. For vehicles in the emerging urban air mobility space, reducing weight associated with overbuilds and shortening down-time associated with inspections are critical for improving safety and affordability. In practice, the wide-scale use of in-situ sensors as primary assurance for structural health has not been demonstrated to be feasible or the best solution. A sensor integration testbed was developed as a platform to evaluate the potential of multiple sensor types to enable decision making on airworthiness. We report on the initial runs of this testbed with multiple sensors attached to a common test article. Metal foil strain gauges, eddy current, fiber optic, guided wave (acoustic emission and ultrasonic) and carbon nanotube roving sensors were affixed to the test article. Baseline as well as post damage initiation and fatiguing data are presented and discussed. Despite the relative simplicity of the test article, the interpretation of the as-captured test data was generally not conclusive or did not have wide enough coverage. This result emphasizes the challenges and current limitations both in testing and the practical broad application of embedded sensors as the determinative elements in critical decision making on wide-scale structural health.

Vertical Lift Vehicles↗
DOE OSTI2020

Two-epoch Orbit Estimation for Wide Binaries Resolved in Hipparcos and Gaia

The Hipparcos catalog and its Double and Multiple System Annex (DMSA) lists 4099 components with individual proper motions and coordinates on the epoch 1991.25. Many of these long-period binary stars are also present in Gaia Data Release 2 (DR2). Using the available relative positions and proper motions separated by 24.25 yr, the equations of relative orbital motion can be solved for the two epoch eccentric anomalies, orbital period, and eccentricity. This method employs elimination of the linear Thiele–Innes unknowns and nonlinear optimization of the remaining condition equations. The quality of these solutions is compromised by the insufficient condition and modest precision of the Hipparcos astrometric data, as revealed by Monte Carlo simulations with artificially perturbed data points. The presence of multiple systems and optical pairs can also perturb the results. Limited experiments with artificial data indicate that useful estimates can be obtained with a 25 yr epoch difference for wide binaries with orbital periods up to ~500 yr. The prospects of this method dramatically improve with the proposed next-generation space astrometry missions such as Gaia-NIR and Theia, especially when additional conditions are included from astrometric or spectroscopic measurements. An ancillary catalog of cross-identification and astrometric information for 1295 double-star pairs cross-matched in Gaia DR2 and Hipparcos is also published.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

WE-G-BRE-01: A High Power Nanotube X-Ray Microbeam Irradiator for Preclinical Brain Tumor Treatment

Purpose: Microbeam radiation therapy (MRT) is a new type of cancer treatment undergoing studies at various synchrotron facilities. The principle of MRT is using arrays of microscopically small, low-energy X-radiation for the treatment of various radio-resistant, deep-seated tumors. Our motivation is to develop a compact and inexpensive image guided MRT irradiator to use in the research lab setting. After a successful initial demonstration, here we report a second generation carbon nanotube (CNT) cathode based MRT tube, capable of producing multiple microbeam lines with an anticipated dose rate of 11 Gy/min per line. Methods: The system uses multiple line CNT source arrays to generate multiple focal lines on the anode. The increase in dose-rate, compared to our first generation system, is achieved by increasing the operating voltage from 160 kVp to 225kVp, adding multiple simultaneous focal lines on the anode, and a more efficient cooling mechanism using a 6kW oil-cooled anode. Results: This work will present the design and development process, challenges and solutions to meeting operating specifications, and the final design of the tube and collimator, along with optimization and stabilization of its use. A detailed characterization of its capabilities will be included with a comprehensive measurement of its X-ray focal line dimensions, an evaluation of its collimator alignment and microbeam dimensions, and phantom-based quantification of its dosimetric output. Conclusion: The development of a second generation, compact, multiple line MRT device using carbon nanotube (CNT) cathode based X-ray technology and a novel oil cooled anode design is presented here. With this new source, we are capable of delivering a total microbeam radiation dose comparable to the low end of the synchrotron based MRT systems for small animal brain tumor models.

60 APPLIED LIFE SCIENCES↗
NASA NTRSDate not supplied

Automated Unstructured Grid Adaptation on a Strut Fuel Injector at Hypervelocity Flow Conditions

Computational fluid dynamics (CFD) analysis is presented with the use of an automated unstructured grid adaptation tool on a strut fuel injector at hypervelocity flow conditions. The analysis was carried out with the VULCAN-CFD solver using Reynolds-averaged simulations (RAS). The hypervelocity flow conditions match the high Mach number flow of the experiments conducted as part of the Enhanced Injection and Mixing Project (EIMP) at the NASA Langley Research Center (LaRC). The current work utilizes an automated grid adaptation tool recently implemented into VULCAN-CFD, and explores this tool’s ability to solve high-speed mixing problems. Simulation results obtained using the unstructured adaptive grid approach are compared to those on a user generated structured grid. These results are evaluated by analyzing how efficiently comparable fidelity results are obtained from both adapted and structured simulations. In addition, two adaptation strategies were used to explore the impact on the final solution. In the current work, the unstructured grid adaptation tool automatically generates unstructured grids and performs adaptation of the grid based on a Hessian error estimate of a specified flow field parameter. Multiple adaptations were executed using each run strategy with the one-dimensional values of the mixing efficiency used to determine grid convergence and for comparison with the structured grid simulation results. It was found that the unstructured adaptive grid simulations were able to produce results that matched closely with those on structured grids using far fewer grid cells, and thus, requiring far less computational time to reach the solution. It was also discovered that the adaptation run strategy influenced the total number of grid cells and the efficiency with which a final grid-adapted solution was reached. Overall, the investigation demonstrated that the automated unstructured grid adaptation tool implemented in VULCAN-CFD is capable of accurately and efficiently solving complex highspeed mixing problems using only a fraction of the grid cells required to obtain comparable results using a user-generated structured grid.

grid adaptation↗
DOE OSTI2019

ff19SB: Amino-acid specific protein backbone parameters trained against quantum mechanics energy surfaces in solution

Molecular dynamics (MD) simulations have become increasingly popular in studying the motions and functions of biomolecules. The accuracy of the simulation, however, is highly determined by the molecular mechanics (MM) force field (FF), a set of functions with adjustable parameters to compute the potential energies from atomic positions. However, the overall quality of the FF, such as our previously published ff99SB and ff14SB, can be limited by assumptions that were made years ago. In the updated model presented here (ff19SB), we have significantly improved the backbone profiles for all 20 amino acids. We fit coupled Φ/ψ parameters using 2D Φ/ψ conformational scans for multiple amino acids, using as reference data the entire 2D quantum mechanics (QM) energy surface. We address the polarization inconsistency during dihedral parameter fitting by using both QM and MM in solution. Finally, we examine possible dependency of the backbone fitting on side chain rotamer. To extensively validate ff19SB parameters, we have performed a total of ~5 milliseconds MD simulations in explicit solvent. Here, our results show that after amino-acid specific training against QM data with solvent polarization, ff19SB not only reproduces the differences in amino acid specific Protein Data Bank (PDB) Ramachandran maps better, but also shows significantly improved capability to differentiate amino acid dependent properties such as helical propensities. We also conclude that an inherent underestimation of helicity is present in ff14SB, which is (inexactly) compensated by an increase in helical content driven by the TIP3P bias toward overly compact structures. In summary, ff19SB, when combined with a more accurate water model such as OPC, should have better predictive power for modeling sequence-specific behavior, protein mutations, and also rational protein design.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Characterization of the Sulfur Saturated Versions of the High-Chromium Matrix Glasses

In this report, the Savannah River National Laboratory provides chemical analysis of a series of sulfur saturated melt versions of simulated nuclear waste glasses, and chemical analysis of the wash solutions resulting from the preparation of these glasses. The glasses were selected and fabricated by the Pacific Northwest National Laboratory as part of a broader study of the influence of glass composition on chemical durability, sulfur retention, and other properties. The resulting data will be used in the development of improved property/composition models to support operation of the Hanford Tank Waste Treatment and Immobilization Plant. Some degree of scatter among the Al₂O₃, B₂O₃, CaO, K₂O, Na₂O, and SiO₂ measurements was noted for the study glasses. The measured concentrations of B₂O₃, chlorine, and fluorine were below the targeted values for most of the study glasses, likely because of volatility during the multiple melting steps. The measured concentrations of Cr₂O₃ and K₂O were generally low relative to the targeted values. These components were identified in the wash solutions, indicating partitioning to the excess sulfate phase that was washed from the glasses prior to analyses. As expected, the measured concentrations of SO₃ in the glasses were higher than targeted due to the use of the sulfur saturation method in fabricating these glasses. Minor scatter among the triplicate measurements of some of the analytes of the wash solutions was noted. The wash solutions contained mainly sulfur and sodium, with moderate concentrations of chromium and potassium. Revision 1 of this report corrects the omission of Al₂O₃ values from Table A-4 in Appendix A.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Positive contraction mappings for classical and quantum Schrödinger systems

The classical Schrödinger bridge seeks the most likely probability law for a diffusion process, in path space, that matches marginals at two end points in time; the likelihood is quantified by the relative entropy between the sought law and a prior. Jamison proved that the new law is obtained through a multiplicative functional transformation of the prior. This transformation is characterised by an automorphism on the space of endpoints probability measures, which has been studied by Fortet, Beurling, and others. A similar question can be raised for processes evolving in a discrete time and space as well as for processes defined over non-commutative probability spaces. The present paper builds on earlier work by Pavon and Ticozzi and begins by establishing solutions to Schrödinger systems for Markov chains. Our approach is based on the Hilbert metric and shows that the solution to the Schrödinger bridge is provided by the fixed point of a contractive map. We approach, in a similar manner, the steering of a quantum system across a quantum channel. We are able to establish existence of quantum transitions that are multiplicative functional transformations of a given Kraus map for the cases where the marginals are either uniform or pure states. As in the Markov chain case, and for uniform density matrices, the solution of the quantum bridge can be constructed from the fixed point of a certain contractive map. For arbitrary marginal densities, extensive numerical simulations indicate that iteration of a similar map leads to fixed points from which we can construct a quantum bridge. For this general case, however, a proof of convergence remains elusive.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

International Training to Promote Successful Environmental Remediation Projects - 18636

The International Atomic Energy Agency (IAEA) supports the efforts of its Member States to manage their nuclear and radiological liabilities, including radioactive waste management, decommissioning of facilities, and remediation of contaminated sites. As part of a project addressing Constraints in Decommissioning and Environmental Remediation (the CIDER Project), the IAEA is developing initiatives to further support capacity development specifically to promote implementation of safe, appropriate, and cost-effective environmental remediation (ER) projects. The IAEA sponsors numerous initiatives to provide its Member States training on important topics related to ER. It has become clear in recent years, however, that the existing training should be augmented with more in-depth training to provide for the development of the critical expertise needed to address significant ER challenges. ER projects typically are very complex, requiring the integration of numerous scientific and engineering disciplines, along with effective project planning and management. There are many examples of ER projects where considerable work has been completed, qualified technical staff are available, and adequate funding has been obtained, yet actual progress towards a final solution has been limited. In such cases, it appears that a key barrier is the lack of capacity to develop strategies, make fully informed decisions, plan for and manage activities, and implement successful ER actions. In light of the above, the IAEA has placed a priority on capacity development across the broad spectrum of ER project implementation. Efforts are underway to develop a new training program to develop capacity at the institutional and individual levels to equip course graduates to effectively integrate all areas of expertise in the planning and execution of ER projects. The target audience includes decision-makers; project managers, planners, and implementers; and academics. The core capabilities to be developed via this program include knowledge and skills related to: (1) radiation issues and radionuclide behavior; (2) health and safety protection principles and requirements; (3) identification, evaluation, and selection of ER technologies and approaches; (4) ongoing, constructive dialogue with stakeholders; (5) project planning, management, and communication; (6) cost estimation and funding development; and (7) implementation of appropriate site monitoring activities. The IAEA is collaborating with multiple organizations to develop and implement this training program, to leverage existing training programs and materials, and to coordinate on the development of sustainable training solutions. This paper will present the status of this initiative and work accomplished thus far. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗