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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Material Removal and Surface Integrity Analysis of Ti6Al4V Alloy after Polishing by Flexible Tools with Different Rigidity

Ti6Al4V alloy has been widely used in many fields, such as aerospace and medicine, due to its excellent biocompatibility and mechanical properties. Most high-performance components made of Ti6Al4V alloy usually need to be polished to produce their specific functional requirements. However, due to the material properties of Ti6Al4V, its polishing process still requires significant development. Therefore, this study aimed to investigate the performance of polishing Ti6Al4V by using tools with different rigidities. Two kinds of bonnet tool were used, namely a pure rubber (PR) bonnet and a semirigid (SR) bonnet. The characterization of material removal and surface integrity after polishing was conducted through a series of experiments on a 6-DOF robotic polishing device. The results demonstrate that both bonnet tools successfully produce nanometric level surface roughness. Moreover, the material removal rate of the SR bonnet tool is significantly higher than that of the PR bonnet, which is consistent with the material removal characteristics of glass polishing in previous research. In addition, the presented analysis on key polishing parameters and surface integrity lays the theoretical foundation for the polishing process of titanium alloy in different application fields.

36 MATERIALS SCIENCE↗
NASA NTRS2004

The Precision Formation Flying Integrated Analysis Tool (PFFIAT)

Several space missions presently in the concept phase (e.g. Stellar Imager, Sub- millimeter Probe of Evolutionary Cosmic Structure, Terrestrial Planet Finder) plan to use multiple spacecraft flying in precise formation to synthesize unprecedently large aperture optical systems. These architectures present challenges to the attitude and position determination and control system; optical performance is directly coupled to spacecraft pointing with typical control requirements being on the scale of milliarcseconds and nanometers. To investigate control strategies, rejection of environmental disturbances, and sensor and actuator requirements, a capability is needed to model both the dynamical and optical behavior of such a distributed telescope system. This paper describes work ongoing at NASA Goddard Space Flight Center toward the integration of a set of optical analysis tools (Optical System Characterization and Analysis Research software, or OSCAR) with the Formation J?lying Test Bed (FFTB). The resulting system is called the Precision Formation Flying Integrated Analysis Tool (PFFIAT), and it provides the capability to simulate closed-loop control of optical systems composed of elements mounted on multiple spacecraft. The attitude and translation spacecraft dynamics are simulated in the FFTB, including effects of the space environment (e.g. solar radiation pressure, differential orbital motion). The resulting optical configuration is then processed by OSCAR to determine an optical image. From this image, wavefront sensing (e.g. phase retrieval) techniques are being developed to derive attitude and position errors. These error signals will be fed back to the spacecraft control systems, completing the control loop. A simple case study is presented to demonstrate the present capabilities of the tool.

Stoneking, Eric↗
DOE OSTI2021

Protein conformational switch discerned via network centrality properties

Network analysis has emerged as a powerful tool for examining structural biology systems. The spatial organization of the components of a biomolecular structure has been rendered as a graph representation and analyses have been performed to deduce the biophysical and mechanistic properties of these components. For proteins, the analysis of protein structure networks (PSNs), especially via network centrality measurements and cluster coefficients, has led to identifying amino acid residues that play key functional roles and classifying amino acid residues in general. Whether these network properties examined in various studies are sensitive to subtle (yet biologically significant) conformational changes remained to be addressed. Here, we focused on four types of network centrality properties (betweenness, closeness, degree, and eigenvector centralities) for conformational changes upon ligand binding of a sensor protein (constitutive androstane receptor) and an allosteric enzyme (ribonucleotide reductase). We found that eigenvector centrality is sensitive and can distinguish salient structural features between protein conformational states while other centrality measures, especially closeness centrality, are less sensitive and rather generic with respect to the structural specificity. We also demonstrated that an ensembleinformed, modified PSN with static edges removed (which we term PSN*) has enhanced sensitivity at discerning structural changes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Verification of Reduced Order Modeling Based Uncertainty/Sensitivity Estimator (ROMUSE)

This article presents a number of verification case studies for a recently developed sensitivity/uncertainty code package. The code package, ROMUSE (Reduced Order Modeling based Uncertainty/Sensitivity Estimator) is an effort to provide an analysis tool to be used in conjunction with reactor core simulators, in particular the Virtual Environment for Reactor Applications (VERA) core simulator. ROMUSE has been written in C++ and is currently capable of performing various types of parameter perturbations and associated sensitivity analysis, uncertainty quantification, surrogate model construction and subspace analysis. The current version 2.0 has the capability to interface with the Design Analysis Kit for Optimization and Terascale Applications (DAKOTA) code, which gives ROMUSE access to the various algorithms implemented within DAKOTA, most importantly model calibration. The verification study is performed via two basic problems and two reactor physics models. The first problem is used to verify the ROMUSE single physics gradient-based range finding algorithm capability using an abstract quadratic model. The second problem is the Brusselator problem, which is a coupled problem representative of multi-physics problems. This problem is used to test the capability of constructing surrogates via ROMUSE-DAKOTA. Finally, light water reactor pin cell and sodium-cooled fast reactor fuel assembly problems are simulated via SCALE 6.1 to test ROMUSE capability for uncertainty quantification and sensitivity analysis purposes.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2016

Range and Endurance Tradeoffs on Personal Rotorcraft Design

Rotorcraft design has always been a challenging tradeoff among overall size, capabilities, complexity, and other factors based on available technology and customer requirements. Advancements in propulsion, energy systems and other technologies have enabled new vehicles and missions; complementary advances in analysis methods and tools enable exploration of these enhanced vehicles and the evolving mission design space. A system study was performed to better understand the interdependency between vehicle design and propulsion system capabilities versus hover / loiter requirements and range capability. Three representative vertical lift vehicles were developed to explore the tradeoff in capability between hover efficiency versus range and endurance capability. The vehicles were a single-main rotor helicopter, a tilt rotor, and a vertical take-off and landing (VTOL) aircraft. Vehicle capability was limited to two or three people (including pilot or crew) and maximum range within one hour of flight (100-200 miles, depending on vehicle). Two types of propulsion and energy storage systems were used in this study. First was traditional hydrocarbon-fueled cycles (such as Otto, diesel or gas turbine cycles). Second was an all-electric system using electric motors, power management and distribution, assuming batteries for energy storage, with the possibility of hydrocarbon-fueled range extenders. The high power requirements for hover significantly reduced mission radius capability. Loiter was less power intensive, resulting in about 1/2 the equivalent mission radius penalty. With so many design variables, the VTOL aircraft has the potential to perform well for a variety of missions. This vehicle is a good candidate for additional study; component model development is also required to adequately assess performance over the design space of interest.

systems analysis↗
NASA NTRS2016

Range and Endurance Tradeoffs on Personal Rotorcraft Design

Rotorcraft design has always been a challenging tradeoff among overall size, capabilities, complexity, and other factors based on available technology and customer requirements. Advancements in propulsion, energy systems and other technologies have enabled new vehicles and missions; complementary advances in analysis methods and tools enable exploration of these enhanced vehicles and the evolving mission design space. A system study was performed to better understand the interdependency between vehicle design and propulsion system capabilities versus hover loiter requirements and range capability. Three representative vertical lift vehicles were developed to explore the tradeoff in capability between hover efficiency versus range and endurance capability. The vehicles were a single-main rotor helicopter, a tilt rotor, and a vertical take-off and landing (VTOL) aircraft. Vehicle capability was limited to two or three people (including pilot or crew) and maximum range within one hour of flight (100-200 miles, depending on vehicle). Two types of propulsion and energy storage systems were used in this study. First was traditional hydrocarbon-fueled cycles (such as Otto, diesel or gas turbine cycles). Second was an all-electric system using electric motors, power management and distribution, assuming batteries for energy storage, with the possibility of hydrocarbon-fueled range extenders. The high power requirements for hover significantly reduced mission radius capability. Loiter was less power intensive, resulting in about 12 the equivalent mission radius penalty. With so many design variables, the VTOL aircraft has the potential to perform well for a variety of missions. This vehicle is a good candidate for additional study; component model development is also required to adequately assess performance over the design space of interest.

systems analysis↗
NASA NTRS1972

Earth resources data analysis system

The Earth Resources Laboratory Data Analysis System provides a valuable research tool in the evaluation of multispectral, radiometric, photographic, and passive microwave imagery data. The system has been in operational use for several months and has performed quite well. Emphasis on versatility of both the hardware and software design facilitates system expansion to many specialized data analysis tasks. The many independent software handlers provide building blocks for major processing programs.

Source record↗
DOE OSTI2017

High Performance-Multidisciplinary Simulation for Regional Scale Earthquake Hazard and Risk Assessments

Moderate-to-large magnitude earthquakes represent a significant risk around the world and a major issue across the Department of Energy (DOE) mission interests, ranging from DOE's one-of-a-kind mission critical facilities to national energy systems (nuclear power plants, electric/gas distribution systems, and renewable energy production facilities). As a result, for the DOE there is a strong motivation in promoting and developing a risk-informed and performance-based approach for both the assessment of existing facilities and the design of new structures. DOE National Labs have historically made multidisciplinary contributions to the solution of challenging seismic hazard and risk problems and have been at the forefront for the development of design standards for major facilities. The current approach for estimating the ground motion hazard for critical facilities is based upon a Probabilistic Seismic Hazard Analysis (PSHA), whereby measured ground motion data are collected and homogenized into a probabilistic framework to estimate the hazard for future events. However, recent studies have highlighted the site-specific nature of earthquakes and shown the limitations of a purely empirical approach. Moreover, the design of infrastructure systems has been moving toward a performance-based approach, in which specific performance goals are specified at different levels of excitation and for different limit states. Such an approach requires the availability of robust and reliable computational tools for the nonlinear dynamic analysis of complex structural systems. Ongoing research at Lawrence Berkeley National Laboratory (LBNL) and Lawrence Livermore National Laboratory (LLNL) aims at developing an advanced simulation environment at the exascale for a coupled assessment of earthquake hazard (ground motions) and earthquake risk (structural demands)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

HPC for the EEC: Industrial Trade Tools for the Aging Energy Infrastructure

The petrochemical and refining sectors are challenged with reliably delivering safer and cleaner energy to US consumers, while meeting an ever-growing global demand. The petrochemical and refining infrastructure in the USA is aging, and corrosion and damage mechanisms are constant threats to mechanical integrity, safety, and profitability. However, governments and industry stakeholders are reluctant to replace or upgrade the existing infrastructure due to the immense cost. To better understand and mitigate the risks of aging energy infrastructure, strong technical analysis capabilities, combined with optimized monitoring and decision making, is critical. Today, this is accomplished via complex simulations and data analysis. To this end, advanced High-Performance-Computing (HPC) software will be leveraged and integrated in easy-to-use industrial trade tools, to lower the barrier for new users, increase the ease of access for experienced users, and allow for smarter decisions to be made in the midstream and downstream energy sectors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2009

Framework for Multidisciplinary Analysis, Design, and Optimization with High-Fidelity Analysis Tools

A plan is presented for the development of a high fidelity multidisciplinary optimization process for rotorcraft. The plan formulates individual disciplinary design problems, identifies practical high-fidelity tools and processes that can be incorporated in an automated optimization environment, and establishes statements of the multidisciplinary design problem including objectives, constraints, design variables, and cross-disciplinary dependencies. Five key disciplinary areas are selected in the development plan. These are rotor aerodynamics, rotor structures and dynamics, fuselage aerodynamics, fuselage structures, and propulsion / drive system. Flying qualities and noise are included as ancillary areas. Consistency across engineering disciplines is maintained with a central geometry engine that supports all multidisciplinary analysis. The multidisciplinary optimization process targets the preliminary design cycle where gross elements of the helicopter have been defined. These might include number of rotors and rotor configuration (tandem, coaxial, etc.). It is at this stage that sufficient configuration information is defined to perform high-fidelity analysis. At the same time there is enough design freedom to influence a design. The rotorcraft multidisciplinary optimization tool is built and substantiated throughout its development cycle in a staged approach by incorporating disciplines sequentially.

Orr, Stanley A.↗
NASA NTRS2007

Parametric Study of Biconic Re-Entry Vehicles

An optimization based on hypersonic aerodynamic performance and volumetric efficiency was accomplished for a range of biconic configurations. Both axisymmetric and quasi-axisymmetric geometries (bent and flattened) were analyzed. The aerodynamic optimization wag based on hypersonic simple Incidence angle analysis tools. The range of configurations included those suitable for r lunar return trajectory with a lifting aerocapture at Earth and an overall volume that could support a nominal crew. The results yielded five configurations that had acceptable aerodynamic performance and met overall geometry and size limitations

Steele, Bryan↗
NASA NTRS2021

Mars 2020 Navigation Performance

On February 18, 2021, the Perseverance rover and Ingenuity helicopter demonstration landed at Jezero Crater. The Entry, Descent, and Landing (EDL) architecture, largely the same used to land Curiosity at Gale Crater on August 6, 2012, required high-fidelity flight dynamics simulation with two independent tools to verify performance. The process for creating the EDL simulation using the Dynamics Simulator for Entry, Descent and Surface landing (DSENDS) tool will be discussed, along with its use for for independent verification of the EDL statistical analysis results and reference trajectory simulation. Analysis and usage details both in development and cruise, along with post-landing assessment of the prediction performance of the simulation, will also be discussed.

Wagner, Sean↗
DOE OSTI2015

Enhancing performance assessments using the ASCEM tool-set - 15222

The Office of Soil and Groundwater Remediation within the U.S. Department of Energy's Office of Environmental Management (EM) is supporting development of the Advanced Simulation Capability for Environmental Management (ASCEM). ASCEM is an open source and modular computing framework that incorporates new advances and tools for predicting contaminant fate and transport in natural and engineered systems. ASCEM integrates modeling tools into a common work-flow that facilitates integrated approaches to modeling and site characterization, and enables robust and standardized assessments of performance and risk for EM cleanup and closure activities. The ASCEM project includes collaboration with end users engaged in performance assessments and subsurface simulation. Two working groups are engaged in performance assessment activities at the Hanford Site and Savannah River Site (SRS). The Hanford Site working group is focused on evaluating an alternative conceptual model that includes fine-scale heterogeneities. The baseline conceptual model for the performance assessment includes the large-scale stratigraphy at the site. The working group is applying the ASCEM tool-set to develop and evaluate alternative conceptual models and evaluate the effect of heterogeneities on long-term transport under rainfall-driven conditions. Because the heterogeneous models require long compute times due to increased model complexity, the simulations are implemented on a high-performance computing platform to reduce simulation times. The ASCEM Akuna work-flow enables efficient organization, simulation execution, and processing and visualization of results. Current performance assessments for waste tank closure at the SRS are limited to two-dimensional axi-symmetric representations. The SRS working group is collaborating with the site contractor to address technical review issues by resolving fine-scale tank features and simulating three-dimensional flow with Richards equation for selected closure scenarios using the ASCEM simulator, Amanzi. The Akuna tool-set is being applied to support model setup, sensitivity analysis, uncertainty quantification, and visualization. Both of the ASCEM working groups are addressing issues that cannot readily be evaluated with the existing tools. In these efforts, ASCEM is being used to provide technical underpinnings for ongoing performance assessments. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Coupling of high-resolution mass spectrometer and photosynthesis system for comprehensive leaf volatile metabolite profiling

Background Leaf-level biogenic volatile organic compounds (BVOCs) emissions represent a major source of organic gases in the atmosphere, influencing both climate and air quality. These emissions are strongly driven by environmental perturbations, which affect individual plant- to ecosystem-level processes. Uncovering all the BVOCs and understanding how their emissions respond to altered environmental conditions provide critical insights into vegetation-driven changes in atmospheric chemistry. We developed a tandem instrumentation setup that integrates a proton transfer reaction time-of-flight mass spectrometer (PTR-ToF-MS) with parts-per-trillion detection limits and a photosynthetic infrared gas exchange system for the untargeted survey of all the BVOCs. This novel system enables simultaneous, real-time monitoring of BVOC emissions and photosynthetic parameters at the leaf level, offering new opportunities to disentangle the physiological and environmental drivers of VOC release. Furthermore, we established the VOC Analysis and Processing Optimization Resource (VAPOR), an open-access software tool designed for rapid data post-processing and the analysis of the variability of hundreds of BVOCs. We assessed the performance of the tandem system under varying background conditions, using standard gas mixtures and a range of environmental factors. Results Blank emissions were substantially lower for major BVOCs (e.g., isoprene) compared to those observed in plant emissions. Despite this, the observation of background-level VOCs highlights the importance of routinely acquiring and accounting for blank measurements in analyses using the coupled instrumentation. Introduction of known VOC concentrations to the system demonstrated a linear response across different compounds with varying molecular compositions, indicating minimal gas loss regardless of chemical moieties within the coupled instrumentation. We applied the optimized system to investigate the physiological mechanisms driving BVOC emissions across different genotypes of poplar and pennycress. The high mass resolution capabilities of the PTR-ToF-MS, coupled with comprehensive VAPOR-driven data analysis, enabled the identification of several important BVOCs, including methanol and methanethiol; these BVOCs displayed substantial variation across pennycress genotypes and showed concentrations ~ 100–350% higher than the blank. Moreover, isoprene emissions varied significantly among poplar genotypes grown in different potting media. Conclusions Tandem instrumentation offers a powerful tool for profiling volatile molecular markers and elucidating their genetic and environmental underpinnings. This approach enhances our ability to predict BVOC emissions in response to genotype by environmental interactions and contributes to a deeper understanding of vegetation responses to environmental changes.

Biogenic volatile organic compounds↗
DOE OSTI2019

Energy efficient photonic millimeter-wave generation using cascaded polarization modulators

A filter-less millimeter-wave generation scheme consisting of four polarization modulators in series, each followed by a polarizer is proposed to achieve optoelectronic frequency octupling. The cascade of polarization modulator and polarizer provides an intensity modulator whose biasing condition can be set by the polarizer angle and polarization state of the input light to each polarization modulator. A theoretical analysis of the architecture is performed using a transfer function method and validated by industry-standard software simulation tools. The circuit shows high potential in achieving desired performance with lower input RF power when compared to the another configuration based on a generalized Mach–Zehnder interferometer structure. Although the operating range in terms of applied RF drive becomes narrow, low RF input operation can be achieved by this circuit. The effect of imbalances in the key circuit parameters is also investigated in terms of electrical side harmonic suppression ratio.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

3D high-fidelity automated neutronics guided optimization of fusion blanket designs

The compact Fusion Pilot Plant (FPP) is defined in the recent National Academies of Sciences, Engineering, and Medicine report as the next step of fusion energy demonstration with a $50$ MWe peak net electricity production, $Q_e$ greater than $1$, and at least $3$ hours of continuous operation. This fusion pilot plant will be a test bed enabling materials, designs, and fuel management assessment, and it will represent an engineering challenge because of its high-fusion power and compact design targets. Previous reactor data is limited to experiments operating in different design space ranges. Therefore, design iterations and assessments should rely on high-fidelity first-principle theoretical and computational models. The high-fidelity integrated modeling of the plasma is a fundamental part of fusion energy research. However, the whole device modeling is often neglected, utilizing low-fidelity, system-level analysis. Recently, the need for high-fidelity multi-physics modeling was recognized, resulting in a selection of integrated tools. Further, autonomous design optimization requires a streamlined framework that perturbs the design point, reruns the analysis, and examines the outputs. However, high-fidelity analysis requires complex geometry specification that is difficult to perturb. This work presents the parametric CAD generation tool TRACER and a new neutronic workflow. TRACER allows the perturbation of the geometry representation, creating geometry files ready for further analysis. The streamlined neutronic workflow allows efficient and accurate calculations. The two new tools coupled together were used to perform a 3D high-fidelity multi-objective, multi-input optimization of an "ARC Class" compact tokamak design. The workflow was driven by an optimization driver for full automation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Toward Molecule-Specific Geochemistry of Heavy Ends: Application to the Upstream Oil Industry

Detailed molecular analysis of the composition of petroleum is typically performed on only the light (volatile) fraction, using analyses involving gas chromatography (GC). Heavier (nonvolatile) components such as kerogen, bitumen, and asphaltenes, which are relevant to conventional reservoirs and particularly to unconventional gas shale and tight oil formations, are not amenable to analysis by GC and instead are typically studied by more phenomenological techniques. This report describes a suite of analytical techniques that can provide sufficient average molecular information on the heavy ends (defined as the nonvolatile fraction) to be useful for a variety of industrial applications, expanding the discipline of molecule-specific geochemistry into the non-GC amenable fractions of petroleum materials. Heavy ends are composed of the elements C, H, N, S, and O, and the bonding environments of each can be measured by various solid state spectroscopies: nuclear magnetic resonance (NMR) and infrared (IR) spectroscopies for C, H, and O; X-ray absorption near-edge structure (XANES) spectroscopy for S and N. Additionally, advances in mass spectrometry, including techniques such as laser desorption laser ionization mass spectrometry (L2MS), can be used to measure the molecular weight and dominant molecular architecture of asphaltenes. Moreover, higher-order structures can be measured: samples of kerogen with representative pore geometry can be prepared, and those pore systems are analyzed with techniques such as X-ray diffraction and neutron scattering. Colloidal structures of asphaltenes can be measured with a variety of techniques, which reveal a hierarchical aggregation structure. These analyses provide sufficient structural data to enable structure–property and structure–function relationships to be determined, which can be applied to the characterization of conventional and unconventional resources. In gas shale and tight oil formations, which contain abundant inorganic minerals as well as kerogen, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) is used for simultaneous analysis of mineralogy, kerogen content, and maturity, typically performed at the wellsite. In conventional reservoirs, spatial variations in the asphaltene concentration measured by downhole fluid analysis logging tools are being interpreted with a recently developed equation of state to address upstream issues such as reservoir connectivity, tar mat formation, and fault block migration. Furthermore, as more heavy end analyses are developed, further scientific knowledge and industrial applications of heavy end geochemistry are anticipated.

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

Industry Application ECCS / LOCA Integrated Cladding/Emergency Core Cooling System Performance: Demonstration of LOTUS-Baseline Coupled Analysis of the South Texas Plant Model

Under the auspices of the DOE LWRS Program RISMC Industry Application ECCS/LOCA, INL has engaged staff from both South Texas Project (STP) and the Texas A&M University (TAMU) to produce a generic pressurized water reactor (PWR) model including reactor core, clad/fuel design and systems thermal hydraulics based on the South Texas Project (STP) nuclear power plant, a 4-Loop Westinghouse PWR. A RISMC toolkit, named LOCA Toolkit for the U.S. (LOTUS), has been developed for use in this generic PWR plant model to assess safety margins for the proposed NRC 10 CFR 50.46c rule, Emergency Core Cooling System (ECCS) performance during LOCA. This demonstration includes coupled analysis of core design, fuel design, thermalhydraulics and systems analysis, using advanced risk analysis tools and methods to investigate a wide range of results. Within this context, a multi-physics best estimate plus uncertainty (MPBEPU) methodology framework is proposed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗