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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

Using FLUKA to Calculate Spacecraft: Single Event Environments: A Practical Approach

The FLUKA nuclear transport and reaction code can be developed into a practical tool for calculation of spacecraft and planetary surface asset SEE and TID environments. Nuclear reactions and secondary particle shower effects can be estimated with acceptable accuracy both in-flight and in test. More detailed electronic device and/or spacecraft geometries than are reported here are possible using standard FLUKA geometry utilities. Spacecraft structure and shielding mass. Effects of high Z elements in microelectronic structure as reported previously. Median shielding mass in a generic slab or concentric sphere target geometry are at least approximately applicable to more complex spacecraft shapes. Need the spacecraft shielding mass distribution function applicable to the microelectronic system of interest. SEE environment effects can be calculated for a wide range of spacecraft and microelectronic materials with complete nuclear physics. Evaluate benefits of low Z shielding mass can be evaluated relative to aluminum. Evaluate effects of high Z elements as constituents of microelectronic devices. The principal limitation on the accuracy of the FLUKA based method reported here are found in the limited accuracy and incomplete character of affordable heavy ion test data. To support accurate rate estimates with any calculation method, the aspect ratio of the sensitive volume(s) and the dependence must be better characterized.

Koontz, Steve↗

Validation of Fast Reactor Depletion Tools Using EBR-II Measured Data

The validation of simulation tools for calculating fuel depletion and evolution in fast reactors is vital for design, licensing, deployment, operations, and material accountancy. The Physics Analysis Database (PADB) and Analytical Laboratory (AL) database contain measured data collected from Experimental Breeder Reactor II (EBR-II) and were used to validate the most recent versions of the Argonne Reactor Computation (ARC) tool suite and ORIGEN-S for calculating isotopic compositions in irradiated fast reactor fuel. The PADB contains important modeling and operational information about the EBR-II core design, fuel cycle, and analytical results from the legacy versions of the ARC tool suite. The AL database contains the measured isotopic compositions of irradiated samples taken from core subassemblies. A new procedure was developed for the ARC tool suite to perform the EBR-II depletion simulation, as well as to perform more detailed isotopic calculations using ORIGEN-S calculations by coupling it with the ARC suite. Both the ARC and ARC-ORIGEN results were compared with the AL measured data for all relevant samples and showed good agreement for the major actinides. Good agreement with measured data was also achieved using the ARC-ORIGEN approach for several fission products.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Self-Gravity Modeling for LISA

The Laser Interferometer Space Antenna (LISA) mission, a space based gravitational wave detector, uses laser metrology to measure distance fluctuations between proof masses aboard three spacecraft. The total acceleration disturbance to each proof mass is required to be below 3 x 10(exp 15) m/sq square root of Hz. Self-gravity noise due to spacecraft distortion and spacecraft motion is expected to be a significant contributor to the acceleration noise budget. To minimize these effects, the gravitational field at each proof mass must be kept as small, flat, and constant as possible. It is estimated that the static field must be kept below 5 x 10(exp -10) m/sq s with a gradient below 3 x 10(exp -8)/sq s in order to meet the required noise levels. Most likely it will not be possible to directly verify by measurements that the LISA spacecraft meets these requirements; they must be verified by models. The LISA Integrated Modeling team developed a new self-gravity tool that calculates the gravitational forces and moments on the proof masses to aid in the design and verification of the LISA spacecraft. We present here an overview of&e tool and the latest self-gravity results calculated using the current baseline design of LISA. We also present results of a self-gravity analysis of the ST-7 DRS package that will fly on the LISA Pathfinder mission.

Merkowitz, Stephen↗

Adjoint Estimation of Observation Impact Explored with an Observing System Simulation Experiment

In an Observing System Simulation Experiment, the full, true state of the simulated atmosphere is known. This knowledge allows the direct calculation of analysis and forecast errors, and also may be used in conjunction with an adjoint tool to calculate metrics that are unachievable in the real world. For example, the errors that result from the use of the analysis state as verification when running adjoint calculations of observation impact on a forecast can be quantified. The adjoint itself can also be used to operate on the analysis state rather than on the forecast state. Results from these and other adjoint experiments using the NASA/GMAO OSSE framework will be presented.

Prive, Nikki↗

MN Solar Pathways: Solar Deployment Strategies-Modeling and Case Studies

As part of the Minnesota Solar Pathways project, funded in part by the Department of Energy’s Solar Energy Technologies Office, Clean Power Research (CPR) developed a Solar Deployment Strategies modeling tool to calculate the economic impacts and market incentives created by different solar portfolios and rate structures. CPR developed the tool using Minnesota-specific data and assumptions. The case studies described in this report provide insight into possible pathways toward the state goal of 10% solar, but the emphasis of the report is the demonstration of the tool in use cases that can be expanded and modified in future years as needs change.

14 SOLAR ENERGY↗

An Overview of SAL

To become practical for assurance, automated formal methods must be made more scalable, automatic, and cost-effective. Such an increase in scope, scale, automation, and utility can be derived from an emphasis on a systematic separation of concerns during verification. SAL (Symbolic Analysis Laboratory) attempts to address these issues. It is a framework for combining different tools to calculate properties of concurrent systems. The heart of SAL is a language, developed in collaboration with Stanford, Berkeley, and Verimag for specifying concurrent systems in a compositional way. Our instantiation of the SAL framework augments PVS with tools for abstraction, invariant generation, program analysis (such as slicing), theorem proving, and model checking to separate concerns as well as calculate properties (i.e., perform, symbolic analysis) of concurrent systems. We. describe the motivation, the language, the tools, their integration in SAL/PAS, and some preliminary experience of their use.

Bensalem, Saddek↗

Unraveling high-energy hadron structures with lattice QCD

Parton distribution functions are key quantities for us to understand the hadronic structures in high-energy scattering, but they are difficult to calculate from lattice QCD. Recent years have seen fast development of the large-momentum effective theory which allows extraction of the x-dependence of parton distribution functions from a quasi-parton distribution function that can be directly calculated on lattice. The extraction is based on a factorization formula for the quasi-parton distribution function that has been derived rigorously in perturbation theory. A systematic procedure that includes renormalization, perturbative matching, and power corrections has been established to calculate parton distribution functions. Latest progress from lattice QCD has shown promising signs that it will become an effective tool for calculating parton physics.

Physics↗

Capturing, Analyzing, Maintaining, and Disseminating Shape Memory Material Data Between Information Management Systems

With an increased demand on reducing the time, cost, and effort to develop new materials, Integrated Computational Materials Engineering (ICME) has received widespread attention in various engineering disciplines as a catalyst for significantly reducing experimental testing during the material design process. An ICME approach to design can enable ‘fit-for-purpose’ materials to be realized in engineering applications by incorporating well-understood process-property-performance relationships between the various length and time scales in a material’s structure, enabling material optimization. However, such an approach requires validated multiscale models at the various length scales for a material, which in turn requires a large amount of data, a robust means of storing the data, and the ability to link data to developed material models. The NASA Vision 2040 [1] has identified nine key elements to enabling ICME approaches in system level design, with one being “Data, Information, and Visualization”, thus outlining the importance of a robust information management system for ICME. As the relationship between microstructure, properties, and material performance become better understood and incorporated into multiscale models that can be leveraged in application design, the emergence of new materials with application-driven properties can be realized. One such new material class that has seen growing attention are shape memory materials (SMM), in which a material can transition between a deformed and undeformed state via a reversible phase transformation when subject to a thermal, mechanical, or magnetic load [2]. SMMs have been used widely in aerospace and biomedical industries, including applications such as actuators, low-shock mechanisms, medical staples, braces, and stents [3, 4]. These materials exhibit unique behavior due to their ability to transition between phases, and thus the mechanisms that enable this transition must be captured in a data information management system and incorporated into SMM material models. At NASA Glenn Research Center, the Shape Memory Materials Database (SMMD) Tool has been developed to capture the necessary information that governs SMM material behavior and provide users the ability to select and visualize various SMMs for a specific application [5]. The database contains point-wise data for published SMM materials, along with the pedigree metadata for traceability necessary for a robust information management system. The database is also capable of storing in-house test data performed at NASA GRC by interacting with the developed Shape Memory Alloy (SMA) Analytics tool to extract the necessary point-wise values and populate the database. Although the SMMD Tool offers its users a single, authoritative source for SMM material data that is critical for model development and material design, the full material pedigree of the in-house test data for SMMs is not currently captured and is out of the scope for the SMMD tool. In this work, the schema for capturing SMM test data within the larger NASA GRC ICME Schema [6, 7, 8, 9] will be developed and implemented for thermomechanical tests conducted at NASA GRC. The developed schema will not only store the relevant data needed for the SMMD tool, but also the material pedigree (i.e., production of the bulk material, bulk material analysis, sample cut-out diagrams, sample fabrication procedure, etc.), test pedigree (i.e., test equipment used, measurement systems used, raw test data), and analysis pedigree (i.e., how the data in the SMMD tool is calculated). Furthermore, a Python-based framework will be developed to seamlessly interact between the SMA Analytics and SMMD tools, which will write the full dataset and associated metadata to the GRC Information Management System before passing the required point-wise data to the SMMD tool. Data informatics is a key element of the NASA Vision 2040, which requires not only that data is stored and maintained throughout the material lifecycle, but that the data is also accessible and reusable such that material development efforts can be minimized. Therefore, for an ICME design approach to be realized, a centralized information management system that drives the ICME process must be able to communicate with other databases. The work that will be presented in this presentation will therefore not only demonstrate the ability of NASA GRC’s information management system to capture SMM data, but also its ability to interact with pre-existing tools specialized for such materials.

Data management↗

Reducing supply chain energy use in next-generation vehicle lightweighting

Vehicle lightweighting reduces the amount of fuel consumed in a vehicle's use phase, but depending on what lightweight materials replace the conventional materials, and in what amounts, the manufacturing energy may increase or decrease. For carbon fiber reinforced polymer (CFRP), a next-generation lightweighting material, the increase in vehicle manufacturing energy is greater than the fuel savings, resulting in a net increase in energy consumption over a vehicle's manufacturing and use relative to a standard non-lightweighted car. [1] This work explores ways to reduce the supply chain energy of CFRP lightweighted vehicles through alternative production technologies and energy efficiency improvements. The objective is to determine if CFRP can offer energy savings comparable to or greater than aluminum, a conventional lightweighting material. Results of this analysis can be used to inform additional research and development efforts in CFRP production and future directions in lightweight vehicle production. The CFRP supply chain is modeled using the Material Flows through Industry (MFI) scenario modeling tool, which calculates 'mine to materials' energy consumption, material inventories and greenhouse gas emissions for industrial supply chains. In this analysis, the MFI tool is used to model the supply chains of two lightweighted vehicles, an aluminum intensive vehicle (AIV) and a carbon fiber intensive vehicle (CFV), under several manufacturing scenarios. Vehicle specifications are given in [1]. Scenarios investigated cover alternative carbon fiber (CF) feedstocks and energy efficiency improvements at various points in the vehicle supply chains. The alternative CF feedstocks are polyacrylonitrile, lignin and petroleum-derived mesophase pitch. Scenarios in which the energy efficiency of CF and CFRP production increases are explored using sector efficiency potential values, which quantify the reduction in energy consumption achievable when process equipment is upgraded to the most efficient available. Preliminary analyses indicate that producing CF from lignin instead of polyacrylonitrile, the most commonly used feedstock, reduces energy consumption in the CFRP supply chain by 7.5%, and that implementing energy efficient process equipment produces an additional 8% reduction. Final results will show if these potential reductions are sufficient to make the CFV energy savings comparable with AIV energy savings. [1] Das, S., Graziano, D., Upadhyayula, V. K., Masanet, E., Riddle, M., & Cresko, J. (2016). Vehicle lightweighting energy use impacts in US light-duty vehicle fleet. Sustainable Materials and Technologies, 8, 5-13.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DL_POLY Quantum 2.0: A modular general-purpose software for advanced path integral simulations

DL_POLY Quantum 2.0, a vastly expanded software based on DL_POLY Classic 1.10, is a highly parallelized computational suite written in FORTRAN77 with a modular structure for incorporating nuclear quantum effects into large-scale/long-time molecular dynamics simulations. This is achieved by presenting users with a wide selection of state-of-the-art dynamics methods that utilize the isomorphism between a classical ring polymer and Feynman’s path integral formalism of quantum mechanics. Here, the flexible and user-friendly input/output handling system allows the control of methodology, integration schemes, and thermostatting. DL_POLY Quantum is equipped with a module specifically assigned for calculating correlation functions and printing out the values for sought-after quantities, such as dipole moments and center-of-mass velocities, with packaged tools for calculating infrared absorption spectra and diffusion coefficients.

36 MATERIALS SCIENCE↗

Monitoring Drought Conditions in the Navajo Nation Using NASA Earth Observations

The Navajo Nation, a 65,700 sq km Native American territory located in the southwestern United States, has been increasingly impacted by severe drought events and changes in climate. These events are coupled with a lack of domestic water infrastructure and economic resources, leaving approximately one-third of the population without access to potable water in their homes. Current methods of monitoring drought are dependent on state-based monthly Standardized Precipitation Index value maps calculated by the Western Regional Climate Center. However, these maps do not provide the spatial resolution needed to illustrate differences in drought severity across the vast Nation. To better understand and monitor drought events and drought regime changes in the Navajo Nation, this project created a geodatabase of historical climate information specific to the area, and a decision support tool to calculate average Standardized Precipitation Index values for user-specified areas. The tool and geodatabase use Tropical Rainfall Monitoring Mission (TRMM) and Global Precipitation Monitor (GPM) observed precipitation data and Parameter-elevation Relationships on Independent Slopes Model modeled historical precipitation data, as well as NASA's modeled Land Data Assimilation Systems deep soil moisture, evaporation, and transpiration data products. The geodatabase and decision support tool will allow resource managers in the Navajo Nation to utilize current and future NASA Earth observation data for increased decision-making capacity regarding future climate change impact on water resources.

Ly, Vickie↗

Data Assimilation using Non-invasive Monte Carlo Sensitivity Analysis of Reactor Kinetics Parameters [Slides]

Sensitivity coefficients of prompt neutron decay constant (α) and effective delayed neutron fraction (β eff ) to Pu-239 nuclear data were calculated using a newly available tool (ACEtk). Uncertainty calculations showed the following trends: (1) The prompt neutron decay constant can be used to reduce nuclear data-induced uncertainty in Pu-239(n,f) and (2) the effective delayed neutron fraction can be used to effectively reduce nuclear data-induced uncertainty in Pu-239 total fission $\tilde{v}$. Sensitivity/uncertainty analysis can be used to determine optimal experiment/detector setup to identify compensating errors in nuclear data. Upcoming work includes investigating other nuclide-reaction pairs and response sensitivities, such as Δ$\rho$, neutron leakage spectra, and reaction rate measurements to constrain nuclear data of interest.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

US EPA Superfund Radon Vapor Intrusion Screening Level (RVISL) Electronic Calculator - 20340

Currently, there is no U.S. Environmental Protection Agency (EPA) guidance on correlating soil or groundwater levels of radon with indoor radon concentrations at Superfund sites. EPA is developing the Radon Vapor Intrusion Level Calculator (RVISL) Calculator which is an online tool. The RVISL calculator: (1) lists three radon isotopes (Rn-219, Rn-220 and Rn-222) known to pose a potential cancer risk through the inhalation pathway; (2) provides generally recommended risk and Applicable or Relevant and Appropriate Requirements (ARAR) based preliminary remediation goals (PRG) for groundwater, soil gas (exterior to buildings and sub-slab) and indoor air for default target risk and ARAR based levels and exposure scenarios; and (3) allows calculation of site-specific PRGs based on user-defined target risk and ARAR based levels and exposure scenarios. EPA developed the RVISL calculator to help risk assessors, remedial project managers, and others involved with risk assessment and decision making at radioactively contaminated sites. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Influence of Wake Models on Calculated Tiltrotor Aerodynamics

The tiltrotor aircraft configuration has the potential to revolutionize air transportation by providing an economical combination of vertical take-off and landing capability with efficient, high-speed cruise flight. To achieve this potential it is necessary to have validated analytical tools that will support future tiltrotor aircraft development. These analytical tools must calculate tiltrotor aeromechanical behavior, including performance, structural loads, vibration, and aeroelastic stability, with an accuracy established by correlation with measured tiltrotor data. The recent test of the Tilt Rotor Aeroacoustic Model (TRAM) with a single,l/4-scale V-22 rotor in the German-Dutch Wind Tunnel (DNW) provides an extensive set of aeroacoustic, performance, and structural loads data. This paper will examine the influence of wake models on calculated tiltrotor aerodynamics, comparing calculations of performance and airloads with TRAM DNW measurements. The calculations will be performed using the comprehensive analysis CAMRAD II.

Johnson, Wayne↗

Nonlinear mechanics of composite materials with periodic microstructure

This report summarizes the result of research done under NASA NAG3-882 Nonlinear Mechanics of Composites with Periodic Microstructure. The effort involved the development of non-finite element methods to calculate local stresses around fibers in composite materials. The theory was developed and some promising numerical results were obtained. It is expected that when this approach is fully developed, it will provide an important tool for calculating local stresses and averaged constitutive behavior in composites. NASA currently has a major contractual effort (NAS3-24691) to bring the approach developed under this grant to application readiness. The report has three sections. One, the general theory that appeared as a NASA TM, a second section that gives greater details about the theory connecting Greens functions and Fourier series approaches, and a final section shows numerical results.

Jordan, E. H.↗

WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation

We report the development of a novel diagnostic tool, named wave function overlap tool (WFOT), designed to evaluate the overlap between wave functions computed at single-reference [i.e., time-dependent density functional theory or configuration interaction singles (CIS)] and multireference (i.e., CASSCF/CASPT2) electronic structure levels of theory. It relies on truncating the single- and multireference WFs to CIS-like expansions spanning the same configurational space and maximizing the molecular orbital overlap by means of a unitary transformation. To demonstrate the functionality of the tool, we calculate the transient spectrum of acetylacetone by evaluating excited state absorption signals with multireference quality on top of single-reference on-the-fly dynamics simulations. Semiautomatic spectra generation is facilitated by interfacing the tool with the COBRAMM package, which also allows one to use WFOT with several quantum chemistry codes such as Gaussian, NWChem, and OpenMolcas. Finally, other exciting possibilities for the utilization of the code beyond the simulation of transient absorption spectroscopy are eventually discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improvements in Thermal Protection Sizing Capabilities for TCAT: Conceptual Design for Advanced Space Transportation Systems

The Thermal Calculation Analysis Tool (TCAT), originally developed for the Space Systems Design Lab at the Georgia Institute of Technology, is a conceptual design tool capable of integrating aeroheating analysis into conceptual reusable launch vehicle design. It provides Thermal Protection System (TPS) unit thicknesses and acreage percentages based on the geometry of the vehicle and a reference trajectory to be used in calculation of the total cost and weight of the vehicle design. TCAT has proven to be reasonably accurate at calculating the TPS unit weights for in-flight trajectories; however, it does not have the capability of sizing TPS materials above cryogenic fuel tanks for ground hold operations. During ground hold operations, the vehicle is held for a brief period (generally about two hours) during which heat transfer from the TPS materials to the cryogenic fuel occurs. If too much heat is extracted from the TPS material, the surface temperature may fall below the freezing point of water, thereby freezing any condensation that may be present at the surface of the TPS. Condensation or ice on the surface of the vehicle is potentially hazardous to the mission and can also damage the TPS. It is questionable whether or not the TPS thicknesses provided by the aeroheating analysis would be sufficiently thick to insulate the surface of the TPS from the heat transfer to the fuel. Therefore, a design tool has been developed that is capable of sizing TPS materials at these cryogenic fuel tank locations to augment TCAT's TPS sizing capabilities.

Olds, John R.↗