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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 1,801 records · Page 100
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Accelerating the Design of Solar Thermal Fuel Materials through High Throughput Simulations

Solar thermal fuels (STF) store the energy of sunlight, which can then be released later in the form of heat, offering an emission-free and renewable solution for both solar energy conversion and storage. However, this approach is currently limited by the lack of low-cost materials with high energy density and high stability. In this Letter, we present an ab initio high-throughput computational approach to accelerate the design process and allow for searches over a broad class of materials. The high-throughput screening platform we have developed can run through large numbers of molecules composed of earth-abundant elements and identifies possible metastable structures of a given material. Corresponding isomerization enthalpies associated with the metastable structures are then computed. Using this high-throughput simulation approach, we have discovered molecular structures with high isomerization enthalpies that have the potential to be new candidates for high-energy density STF. We have also discovered physical principles to guide further STF materials design through structural analysis. More broadly, our results illustrate the potential of using high-throughput ab initio simulations to design materials that undergo targeted structural transitions.

Liu, Y↗
DOE OSTI2022

Data Mining and Visualization of High-Dimensional ICME Data for Additive Manufacturing

Integrated computational materials engineering (ICME) methods combining CALPHAD with process-based simulations can produce rich, high-dimensional data for alloy and process design. In ICME methods for metallurgical applications, the visualization and interpretation of such high-dimensional data has previously been through heat maps represented in 2 or 3 dimensions. While such an approach is ideal when one variable is varied at a time, in the case of high-dimensional data with multiple variables varied simultaneously, as is the case in additive manufacturing, interpreting the trends through two- or three-dimensional heat maps becomes challenging. Here, we propose a strategy of mixed visual data mining and quantitative analysis for high-dimensional metallurgical and process data using high-throughput thermodynamic calculations. Two case studies show the application of the proposed approach. The first case study investigated the effects of feedstock chemistry on the δ ferrite formation in 316L stainless steel powders used for binder jet additive manufacturing. The second case study linked Scheil–Gulliver calculations to a process model for dissimilar joining of aluminum alloys 5356 and 6111 during laser hot-wire additive manufacturing. Both cases contained thousands of calculated data points, showcasing the utility of visual data analysis through parallel coordinate plotting, Pearson correlation coefficient matrices, and scatter matrices compared to traditional process maps. These visualization techniques can be extended to many additive manufacturing problems to capture process–structure–property relationships for additively manufactured components.

36 MATERIALS SCIENCE↗
NASA NTRS2017

Review of a Draft - Avoiding the Impossible: Re-focusing a Non-Feasible Mission 2-Hrs into a 3-Day Engineering Session

Concurrent engineering offers a great many benefits to engineers and mission designers throughout the world of aerospace. The only downside of concurrent engineering, and this is somewhat unavoidable, is that you don’t know the results of a design session until the end when it is completed. Usually, this is not a problem – you wouldn’t start building a spacecraft before the design is finished. However, within mass and cost constrained systems, you may end up with a final design that although technically sound – is not feasible due to mass or cost limits. Employing in-session mass and cost models with flexible inputs that refine their estimates and variance as more detailed information comes in throughout a design session allows major design changes to be made when the probability of breaching a mass or cost cap exceeds a threshold level. This enables mission designers to re-focus the study, and avoid spending 3-days with 15 engineers designing a non-feasible mission. By understanding key correlations and nested relationships within mass or cost, and specifically mass or cost allocations per mission element by mission type, it’s possible to get flexible-input, statistically based mass and cost estimates very early in the design process. Baseline models are seeded using mission characteristics and general parameters (outer planetary orbiter-probe mission, $500M cost cap for example) to provide a rough estimate of the expected mass or cost. As information gets solidified during the session, it gets added to the model and the estimates are updated. Continuing the orbiter-probe mission example, modeling probe heat shield cost as a percent of total probe cost, and probe cost as a percent of total flight system cost, and total flight system cost as a percent of total mission cost allows a design team to roll-up solidified information to estimate the probability of fitting within a mass or cost constraint early in a concurrent design session. When only the heat shield cost is known, the variance of the final estimate is higher, whereas when the full probe gets defined, naturally, the variance of the estimate decreases. A methodology, model, verification and demo implementation for cost limit breach are presented.

Hihn, Jairus M.↗
DOE OSTI2020

Design Advancement of an Indoor Soil Deposition Chamber: A Road to Standardization

An indoor soil deposition chamber has been designed and constructed at the Arizona State University Photovoltaic Reliability Lab (ASU-PRL) to simulate photovoltaic (PV) module soiling in the field. This paper discusses the next set of revisions to the design, which are organized into three categories: design improvements, cost reduction, and new features. The design process was carried out with the intention of working toward the development of a national or international soiling standard. The improvements made to the chamber are described in detail to provide a guide for other laboratories or research facilities who wish to study photovoltaic (PV) soiling.

14 SOLAR ENERGY↗
NASA NTRS1997

An Efficient Multiblock Method for Aerodynamic Analysis and Design on Distributed Memory Systems

The work presented in this paper describes the application of a multiblock gridding strategy to the solution of aerodynamic design optimization problems involving complex configurations. The design process is parallelized using the MPI (Message Passing Interface) Standard such that it can be efficiently run on a variety of distributed memory systems ranging from traditional parallel computers to networks of workstations. Substantial improvements to the parallel performance of the baseline method are presented, with particular attention to their impact on the scalability of the program as a function of the mesh size. Drag minimization calculations at a fixed coefficient of lift are presented for a business jet configuration that includes the wing, body, pylon, aft-mounted nacelle, and vertical and horizontal tails. An aerodynamic design optimization is performed with both the Euler and Reynolds Averaged Navier-Stokes (RANS) equations governing the flow solution and the results are compared. These sample calculations establish the feasibility of efficient aerodynamic optimization of complete aircraft configurations using the RANS equations as the flow model. There still exists, however, the need for detailed studies of the importance of a true viscous adjoint method which holds the promise of tackling the minimization of not only the wave and induced components of drag, but also the viscous drag.

Reuther, James↗
DOE OSTI2015

Impact of Passive Safety on FHR Instrumentation Systems Design and Classification

Fluoride salt-cooled high-temperature reactors (FHRs) will rely more extensively on passive safety than earlier reactor classes. 10CFR50 Appendix A, General Design Criteria for Nuclear Power Plants, establishes minimum design requirements to provide reasonable assurance of adequate safety. 10CFR50.69, Risk-Informed Categorization and Treatment of Structures, Systems and Components for Nuclear Power Reactors, provides guidance on how the safety significance of systems, structures, and components (SSCs) should be reflected in their regulatory treatment. The Nuclear Energy Institute (NEI) has provided 10 CFR 50.69 SSC Categorization Guideline (NEI-00-04) that factors in probabilistic risk assessment (PRA) model insights, as well as deterministic insights, through an integrated decision-making panel. Employing the PRA to inform deterministic requirements enables an appropriately balanced, technically sound categorization to be established. No FHR currently has an adequate PRA or set of design basis accidents to enable establishing the safety classification of its SSCs. While all SSCs used to comply with the general design criteria (GDCs) will be safety related, the intent is to limit the instrumentation risk significance through effective design and reliance on inherent passive safety characteristics. For example, FHRs have no safety-significant temperature threshold phenomena, thus enabling the primary and reserve reactivity control systems required by GDC 26 to be passively, thermally triggered at temperatures well below those for which core or primary coolant boundary damage would occur. Moreover, the passive thermal triggering of the primary and reserve shutdown systems may relegate the control rod drive motors to the control system, substantially decreasing the amount of safety-significant wiring needed. Similarly, FHR decay heat removal systems are intended to be running continuously to minimize the amount of safety-significant instrumentation needed to initiate operation of systems and components important to safety as required in GDC 20. This paper provides an overview of the design process employed to develop a pre-conceptual FHR instrumentation architecture intended to lower plant capital and operational costs by minimizing reliance on expensive, safety related, safety-significant instrumentation through the use of inherent passive features of FHRs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Reforming Biomass Derived Pyrolysis Bio-oil Aqueous Phase to Fuels

Fast pyrolysis and catalytic fast pyrolysis (CFP) of biomass produce a liquid product stream comprised of various classes of organic compounds having different molecule size and polarity. This liquid, either spontaneously in the case of catalytic fast pyrolysis or by water addition for the non-catalytic process separates into a non-polar organic-rich fraction and a highly polar water-rich fraction. The organic fraction can be used as a blendstock or feedstock for further processing in a refinery while, in the CFP process design, the aqueous phase is currently sent to wastewater treatment, which results in a loss of residual biogenic carbon present in this stream. Our work focuses on the catalytic conversion of the biogenic carbon in pyrolysis aqueous phase streams to produce hydrocarbons using a vertical micro-reactor coupled to a molecular beam mass spectrometer (MBMS). Furthermore, the MBMS provides real-time analysis of products while also tracking catalyst deactivation. The catalyst used in this work was HZSM-5, which upgraded the oxygenated organics in the aqueous fraction to fuels comprising small olefins and aromatic hydrocarbons. During processing the aqueous bio-oil fraction the HZSM-5 catalyst exhibited higher activity and coke resistance than those observed in similar experiments using biomass or whole bio-oils. Reduced coking is likely due to ejection of coke precursors from the catalyst pores that was enhanced by excess process water available for steam stripping. The water reacted with coke precursors to form phenol, methylated phenols, naphthol, and methylated naphthols. Conversion data shows that up to 40 wt% of the carbon in the feed stream is recovered as hydrocarbons.

09 BIOMASS FUELS↗
DOE OSTI2025

Transformational Nano-confined Ionic Liquid Membrane for Greater than or Equal to 97 Percent Carbon Dioxide Capture from Natural Gas Combined Cycle Flue Gas

A transformational process based on nano-confined ionic liquid (NCIL) membranes was developed for capturing ≥97% CO 2 from natural gas combined cycle (NCCC) flue gas. The NCIL membranes were prepared by loading amino acid ionic liquid into a framework composed of single-walled carbon nanotube mesh filled with graphene oxide quantum dots. The membranes exhibited CO 2 permeance as high as 2,000 GPU with a CO 2 /N2 selectivity of 2,300 for a typical NGCC flue gas composition. When H 2 O vapor sweep was applied in the permeate side, 96.6% CO2 dry-basis purity and 97.6% CO 2 capture rate were achieved for a simulated NGCC flue gas with single stage. In the process design, a highly H 2 O-selective membrane would be needed to recover majority of the H 2 O vapor, and the recovered H 2 O vapor could be recycled to the permeate side of the NCIL membrane. Sulfonated poly(ether ether ketone) membranes were successfully developed for this purpose. These membranes exhibited H 2 O permeance great than 11,000 GPU and H 2 O/CO 2 selectivity greater than 1,000 at 70ºC for a feed mixture consisting of 14.5 vol% H2O and balanced CO 2 . A standalone membrane model using MATLAB platform was developed for process simulation. The model was validated with experimental data. Techno-economic analysis based on the testing data collected during the current program suggests this transformational membrane process can achieve 97% CO 2 capture efficiency with a cost of $47.8/tonne of CO 2 , which is a 21% reduction versus DOE’s reference case B31B.97.

03 NATURAL GAS↗
NASA NTRS1983

Aerodynamic design for improved maneuverability by the use of three-dimensional transonic theory

This study has examined the level of transonic maneuver performance that can be achieved by the use of three-dimensional transonic theory. The FLO-27 code of Jameson and Caughey (1977) was used to lower maneuver drag by the reduction of shock strength on the wing upper surface. A design procedure was used to provide a set of guidelines for the iterative application of FLO-27 during the wing design process. The fighter configuration utilized had a leading-edge sweep of 45 deg and an aspect ratio of 3.28. Tests were conducted at Mach numbers from 0.60 to 0.95 and angles of attack from -5 to 18 deg. The accurate prediction of wing shock systems required the inclusion of fuselage effects in the theory. The FLO-27 code gave a reasonable estimate of the experimental wing pressure distributions at transonic maneuver conditions in the region of the wing where the flow was attached. For Mach numbers between 0.60 and 0.95 and lift coefficients near 0.9, a wing designed by the use of FLO-27 showed substantially lower drag than an empirically developed, supercritical maneuver wing and a maneuver wing designed primarily by two-dimensional transonic theory. For some maneuver conditions, the drag of the two-dimensional design was somewhat lower.

Mann, M. J.↗
NASA NTRS2008

Forebody and Inlet Design for the HIFiRE 2 Flight Test

A forebody and inlet have been designed for the HIFiRE 2 scramjet flight test. The test will explore the operating, performance, and stability characteristics of a simple hydrocarbon-fueled scramjet combustor as it transitions from dual-mode to scramjet-mode operation and during supersonic combustion at Mach 8+ flight conditions. Requirements for the compression system were derived from inlet starting and combustor inflow requirements as well as physical size constraints. The design process is described. A planar, fixed geometry, mixed compression concept was used to produce laterally uniform flow at the inlet entrance and a conservative amount of internal contraction with respect to inlet starting. A grid sensitivity study was performed so that important flow physics caused by three-dimensional shock boundary layer interactions could be captured with confidence. Results from low Mach number operability studies, nominal trajectory cases, and high dynamic pressure heat load cases are discussed. The forebody and inlet solutions provide information for on-going combustor calculations, mass capture across the trajectory for fuel system design, and surface heating rates for thermal/structural analysis. The design has a one freestream Mach number margin for inlet starting, exceeds the high Mach number combustor entrance pressure requirement, produces high quality flow at the inlet exit for all Mach numbers and vehicle attitudes in the design space, and fits inside the booster shroud.

Ferlemann, Paul G.↗
NASA NTRS2019

Thermal design and validation of Mars 202 gas Dust Removal Tool (gDRT)

As part of the science goals for the planned Mars 2020 mission, two instruments, PIXL and SHERLOC, intend to study the Mars surface at a close scale. These two instruments are planned to be used on smooth rock surfaces that are free of dust and other particles. Such surfaces are prepared by using a drill with an abrading drill bit; residual dust and particles are then blown away using a compressed gas system—the Gas Dust Removal Tool (gDRT). Early in the design process a risk of valve leakage below the vendor’s -20C rating was identified. To mitigate this risk a parallel path was implemented: 1) qualify the valves to operate at -135C, and 2) develop thermal control capability to elevated temperatures in case qualification efforts are unsuccessful. While qualification efforts are ongoing, it is expected that the valves will be qualified to an operating temperature of -135C. In the event that qualification is not successful, thermal control has been realized via a thermally isolated valve configuration and thermostatically controlled heaters. Thermal testing of gDRT has validated this design and enabled thermal model correlation in order to provide more accurate survival energy predictions. The resulting energy consumption for heating the valves at the Jezero landing site represents a minimal impact to the Rover energy budget.

Novak, Keith↗
DOE OSTI2017

Deterministic Selection of Design Extension Condition without Core Melt

The concept of beyond design basis accidents (BDBA) recently has been changed to design extension conditions (DEC). DEC is required to be considered in the design process, and it comprises conditions in events without core melt and conditions in events with core melt. DEC with core melt is a part of severe accident. A systematic and deterministic approach to select DEC without core melt for a pressurized water reactor (PWR) is introduced.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2019

Uncertainty Quantification of a Rotorcraft Conceptual Sizing Toolsuite

A computational framework to support the quantification of system uncertainties and sensitivities for rotorcraft applications is presented using the NASA Design and Analysis of Rotorcraft (NDARC) conceptual sizing tool. A 90 passenger conceptual tiltrotor configuration was used for case demonstration in the modeling of uncertainties in NDARCs emission module. A non-intrusive forward propagation uncertainty quantification approach was applied to ensemble simulations using a Monte Carlo methodology with stratified Latin hypercube sampling. An off-the-shelf software, DAKOTA, which supports trade studies and design space exploration, including optimization, surrogate modeling and uncertainty analysis was used to address the research goals. A toolsuite was further developed incorporating DAKOTA with automated design processes and methods using function wrappers to execute program routines including support for data post-processing. Uncertainties in rotorcraft emissions modeling using the Average Temperature Response metric for a set mission profile were studied. It was shown that for the current study, using the base-line best estimate modeling parameters for the Average Temperature Response metric, NDARC under-estimates the effects of emissions when compared with results from Monte Carlo simulations. A global sensitivity analysis was further undertaken to quantify the contribution of the various emission species on output sensitivity, hence uncertainty. The work demonstrates that the developed toolsuite is robust and will support the quantification of system uncertainties and sensitivities in future rotorcraft design efforts.

Rotorcraft↗
DOE OSTI2017

Formulation and Validation of an Efficient Computational Model for a Dilute, Settling Suspension Undergoing Rotational Mixing

Designing processing equipment for the mixing of settling suspensions is a challenging problem. Achieving low-cost mixing is especially difficult for the application of slowly reacting suspended solids because the cost of impeller power consumption becomes quite high due to the long reaction times (batch mode) or due to large-volume reactors (continuous mode). Further, the usual scale-up metrics for mixing, e.g., constant tip speed and constant power per volume, do not apply well for mixing of suspensions. As an alternative, computational fluid dynamics (CFD) can be useful for analyzing mixing at multiple scales and determining appropriate mixer designs and operating parameters. We developed a mixture model to describe the hydrodynamics of a settling cellulose suspension. The suspension motion is represented as a single velocity field in a computationally efficient Eulerian framework. The solids are represented by a scalar volume-fraction field that undergoes transport due to particle diffusion, settling, fluid advection, and shear stress. A settling model and a viscosity model, both functions of volume fraction, were selected to fit experimental settling and viscosity data, respectively. Simulations were performed with the open-source Nek5000 CFD program, which is based on the high-order spectral-finite-element method. Simulations were performed for the cellulose suspension undergoing mixing in a laboratory-scale vane mixer. The settled-bed heights predicted by the simulations were in semi-quantitative agreement with experimental observations. Further, the simulation results were in quantitative agreement with experimentally obtained torque and mixing-rate data, including a characteristic torque bifurcation. In future work, we plan to couple this CFD model with a reaction-kinetics model for the enzymatic digestion of cellulose, allowing us to predict enzymatic digestion performance for various mixing intensities and novel reactor designs.

09 BIOMASS FUELS↗
DOE OSTI2022

Estimating List-Mode Data Sensitivities to Nuclear Data with MCNP6

Nuclear data are a vital component of predictive simulations used in applications like experiment design, stockpile stewardship, nuclear nonproliferation/safeguards, health physics, and criticality safety. A singular simulation requires the coalescence of different areas of nuclear data such as cross sections, angular distributions, and energy distributions of emitted neutrons for different materials and energy ranges. Improving nuclear data and thus reducing the uncertainty in simulated parameters could enable smaller, better-informed safety factors and ultimately reduce operational and procedural costs. There is a constant effort to garner a better understanding of the physical quantities represented by nuclear data through experiments. Integral experiment benchmarks use simulated and measured results to validate current nuclear data values. In the past, benchmarks primarily focused on the effective multiplication factor (k eff ); however, this limited scope has caused compensating errors and areas of nuclear data that lack validation. Compensating errors are inaccuracies in nuclear data that are obfuscated by cancellation when observing integrated values such as k eff . Diverse integral benchmark experiments that look for quantities of interest other than k eff and include multiple responses minimize the possibility of compensating errors and provides validation to areas of nuclear data previously lacking experimental validation. Benchmark experiments can be optimized during the design process to be highly dependent on specific areas of nuclear data. The dependence of a response in an experiment to a specific area/type of nuclear data is defined as sensitivity. A larger sensitivity means that nuclear data uncertainties will play a larger role in the response(s) resulting in larger bias. Currently, the sensitivity capabilities of the Monte Carlo N-Particle (MCNP ®1 ) transport code are limited to responses of k eff and tallied values (e.g., flux, surface current). As a part of the EUCLID project, this work explores estimating list-mode nuclear data sensitivities that can be used to design experiments aimed to constrain and reduce compensating errors in nuclear data by focusing on responses other than k eff . Tallied values are ideal quantities that are estimated with detectors during experiments. List-mode data (a list of neutron collection times) are the direct output of detector systems in subcritical neutron noise experiments. Expanding MCNP sensitivity capabilities to include the sensitivity of responses estimated from list-mode data, such as the prompt neutron decay constant (α) and multiplicity estimates (S and D), enables more direct comparison of simulated and measured experimental quantities. Additionally, deterministic tools such as SENSMG are capable of obtaining sensitivities to a wide variety of responses; however, these tools cannot handle complex geometries due to the assumptions made in discretizing the phase-space variables of the Boltzman transport equation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Toward High Fidelity LES Simulations of 5 x 5 PWR Fuel Bundle with Mixing Vane

The present work illustrates one example of a computational fluid dynamics (CFD) application in the nuclear engineering field. Since CFD is one of the most powerful tools available at the actual state of the art that could in principle help and assist the design process, a compromise should be established between the accuracy of the CFD numerical model (RANS - LES - DNS) and the computational cost of the simulations. In this spirit, this work will present the computational results from two different CFD model categories, Large Eddy Simulations (LES) and Reynolds-averaged Navier-Stokes (RANS) models. Both treat the flow turbulence issue in two separate ways, which differ mostly in the resolution of the turbulence statistics and the computational cost. The single-phase hydraulic problem presented involves the steady-state turbulent flow field modelling and resolution around a scaled PWR mixing vane grid, designed by Westinghouse and tested by Texas A and M University. The role of the mixing vane/spacer grid is to enhance the turbulent mixing and hence heat transfer of the core coolant around fuel bundles, thus increasing the departure of nucleate boiling-critical heat flux (DNB-CHF) point, as well as important structural functions for the rods bundles. The authors numerically studied the flow field characteristics at the region downstream of the spacer grids and validated their results to particle imagery velocimetry (PIV) measurements. Dominguez and Hassan performed two-dimensional time resolved PIV (TR-PIV) measurements within a 5 x 5 PWR rod bundle with spacer-grids that utilized a matching index of refraction (MIR) approach. Their averaged data showed a rather uniform direction velocity profile after the spacer grid while the downstream illustrated a no slip wall profile. The available PIV flow field experimental results from Texas A and M show complex structures of the flow field downstream the mixing vanes with the formation of secondary flows that tend to enhance the turbulent heat transfer, due to the mixing vanes geometry itself. Computational results will be validated with the available experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2004

The Integration of a Load Limiter to an Orbiter Over-Center Mechanism

This paper summarizes the design process used to relieve the predicted high loads on a Space Shuttle Orbiter mechanism prior to the STS-112 flight. The overloading of the mechanism was due to a dynamic response between the orbiter and payload that was specific to this payload s mass and attachment scheme. A solution was devised by adding a component that prevented overload of the mechanism. In addition, the introduction of the new component neither interfered with the normal operation nor required extra-vehicular activity from a crewmember. By utilizing rapid prototyping technology, engineers were able to verify clearances and feasibility while preparing to build the flight hardware. This design solution was successfully flown on STS-112 and STS-113.

Gilmore, Adam↗

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