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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Selection of Lockheed Martin's Preferred TSTO Configurations for the Space Launch Initiative

Lockheed Martin is developing concepts for safe, affordable Two Stage to Orbit (TSTO) reusable launch vehicles as part of NASA s Space Launch Initiaiive. This paper discusses the options considered for the design of the TSTO, the impact of each of these options on the vehicle configuration, the criteria used for selection of preferred configurations, and the results of the selection process. More than twenty configurations were developed in detail in order to compare optioiis such as propellant choice, serial vs. parallel burn sequence, use of propellant crossfeed between stages, bimese or optimized stage designs, and high or low staging velocities. Each configuration was analyzed not only for performance and sizing, but also for cost and reliability. The study concluded that kerosene was the superior fuel for first stages, and that bimese vehicles were not attractive.

Hopkins, Joshua B.↗
DOE OSTI2026

Optimal invariant sets for atomistic machine learning

The representation of atomic configurations for machine learning models has led to numerous sets of descriptors. However, many descriptor sets are incomplete and/or functionally dependent. Incomplete sets cannot faithfully represent atomic environments. Yet complete constructions often suffer from a high degree of functional dependence, where some descriptors are functions of others. These redundant descriptors do not improve discrimination between atomic environments. We employ pattern recognition techniques to remove dependent descriptors to produce the smallest possible set that satisfies completeness. We apply this in two ways: First, we refine an existing description, the atomic cluster expansion. Second, we augment an incomplete construction, yielding a new message-passing neural network architecture that can recognize up to 5-body patterns. This architecture shows strong accuracy on state-of-the-art benchmarks while retaining low computational cost. Our results demonstrate the utility of this strategy to optimize descriptor sets across a range of descriptors and application datasets.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2007

Improving the Hydrodynamic Performance of Diffuser Vanes via Shape Optimization

The performance of a diffuser in a pump stage depends on its configuration and placement within the stage. The influence of vane shape on the hydrodynamic performance of a diffuser has been studied. The goal of this effort has been to improve the performance of a pump stage by optimizing the shape of the diffuser vanes. The shape of the vanes was defined using Bezier curves and circular arcs. Surrogate model based tools were used to identify regions of the vane that have a strong influence on its performance. Optimization of the vane shape, in the absence of manufacturing, and stress constraints, led to a nearly nine percent reduction in the total pressure losses compared to the baseline design by reducing the extent of the base separation.

Goel, Tushar↗
DOE OSTI2021

Evaluation of external tubular configurations for a high-temperature chloride molten salt solar receiver operating above 700°C

Next-generation concentrating solar power (CSP) tower technologies target operating temperatures exceeding 700°C to increase the thermal-to-electric conversion efficiency. Molten chloride salts are one possible alternative to current commercial molten nitrate salts to enable the higher operating temperature. This paper analyzes the predicted optical, thermal-fluids, and structural performance of traditional external tubular solar receiver configurations applied with a chloride salt heat transfer fluid (HTF) and inlet/outlet temperatures of 500°C/735°C, and considers sensitivity analysis and optimization relative to receiver sizing, tube sizing, number of panels, flow circuit configurations, and solar flux concentration under constraints on internal velocity, pressure drop, wall thickness, and required creep-fatigue lifetime. The high temperature conditions increase the significance of inelastic deformation mechanisms such as creep relative to that expected in commercial 565°C nitrate salt designs. High-temperature creep and creep-fatigue damage in the metal alloy tubes are the key factors that limit allowable solar flux concentration and achievable receiver thermal efficiency at the near-800°C wall temperature conditions. For a traditional external cylindrical receiver configuration, the design parameters and conditions capable of satisfying all constraints produced, at best, a design point receiver efficiency of 78.2%, or 80.5% when excluding receiver intercept efficiency. Variation in the optimal receiver performance relative to uncertainty in the binding maximum velocity, minimum wall thickness, and minimum lifetime constraints is presented.

14 SOLAR ENERGY↗
DOE OSTI2025

GreenThrift: Optimizing Carbon and Cost for Flexible Residential Loads

Reducing buildings’ carbon emissions is an important sustainability challenge. While scheduling flexible building loads has been previously used for a variety of grid and energy optimizations, carbon footprint reduction using such flexible loads poses new challenges since such methods need to balance both energy and carbon costs while also reducing user inconvenience from delaying such loads. This paper highlights the potential conflict between electricity prices and carbon emissions and the resulting trade-offs in carbon-aware and cost-aware load scheduling. To address this trade-off, we propose GreenThrift, a home automation system that leverages the scheduling capabilities of smart appliances and knowledge of future carbon intensity and cost to reduce both the carbon emissions and costs of flexible energy loads. At the heart of GreenThrift is an optimization technique that automatically computes schedules based on user configurations and preferences. We evaluate the effectiveness of GreenThrift using real-world carbon intensity data, electricity prices, and load traces from multiple locations and across different scenarios and objectives. Our results show that GreenThrift can replicate the offline optimal and retains 97% of the savings when optimizing the carbon emissions. Moreover, we show how GreenThrift can balance the conflict between carbon and cost and retain 95.3% and 85.5% of the potential carbon and cost savings, respectively.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Studies and optimization of hybrid X-pinches

Studies were carried out on the hybrid X-pinch (HXP) configuration for several wire materials using a 40ns risetime, 300-kA pulsed-power generator with the goal of optimizing the HXP X-ray burst parameters for different applications. The gap distance between the conical electrodes of the hybrid X-pinch was varied from 0.5 to 5 mm for Al, Ag, Ti, and Mo using different wire diameters to maintain a consistent mass per unit length from one material to the next. It was found that 0.5 - 1 mm gap spacing was optimal to obtain a single X-ray burst, while the number of X-ray bursts increased with gap spacing for all materials at a rate of 1-2/mm. Time consistency studies of the first X-ray burst were carried out for Ti wire by changing the gap distance and wire diameter while observing the time of occurrence of the X-ray bursts. Here, it was found that a 40μm Ti wire load with a 3mm electrode gap spacing had the highest probability to have the first X-ray burst reproducibly within a 2 ns time window. Time-resolved and time-integrated diagnostics provided information about the source size, time of occurrence, intensity, and the number of the X-ray bursts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2001

On-Orbit Calibration of Redundant Spacecraft Gyros by Optimal Reduction to Three Axes

The Aqua spacecraft will carry four single-axis gyros configured with three orthogonal axes and one skew axis. This redundancy presents a challenge for batch methods of on-orbit gyro calibration that use a spacecraft rotation model deterministically related to gyro data, in that sensor data can respond to at most three angular velocity components. When the number of gyros, N, is greater than 3, the 3xN matrix, G, that reduces the N gyro measurements to three body-frame angular-velocity components cannot be fully determined by such methods; there are many such matrices that produce essentially the same angular velocity history. In such a case, spacecraft operators require information about the Nx3 gyro linear response matrix, R, that relates gyro outputs to the body-frame angular velocities causing them. This matrix provides sufficient information to determine multiple reduced-dimension G-matrices for use in case of failure or degradation of one or more gyros, as well as to determine an optimal 3xN G for the fully-functional configuration. A viable proposal is to apply a 3xN pre-filter matrix, F, to the N gyro outputs before carrying out a conventional gyro calibration procedure. The angular-velocity history emerging from conventional calibration may then be used as input data, together with the same gyro data that generated it, to fit the alignment, scale-factor, and bias parameters of each gyro axis in turn. A difficulty of such a proposal is the arbitrariness in the choice of F. Due to gyro noise, different pre-filter matrices produce different calibrations. This paper presents a method of choosing F that is based on optimizing gyro consistency in the limit of infinite weight on gyro data, as compared to sensor data. The choice of F is independent of a priori alignment and is based on the gyro data alone. The method is applicable to any N of three or more, but reduces to conventional batch-estimation methodologies when N = 3. Results of computational comparison among calibration simulations using various choices of F will be presented for the Aqua gyro configuration with N = 4.

Radomski, M. S.↗
NASA NTRS2017

Initial Results of Heuristic Guided Orbit Selection for a Low Frequency Radio Interferometric Spacecraft Constellation

A constellation of radio telescope spacecraft can leverage interferometry to accurately image distant objects throughout the universe, but mission design must balance among many interrelated constraints. In particular, the number of craft and the selection of time-varying orbital parameters play a pivotal role in determining what interferometric baselines are feasible with respect to different targets, and thus drives the breadth and quality of data available to the constellation. The large combinatorial orbit configuration space and competing concerns present a challenging problem that is not well addressed by traditional mission design processes. This paper describes application of automated optimization methods to help direct mission design effort to the most promising dynamic constellation geometries: those that achieve broad interferometric coverage but remain cost-effective and resilient to failures. Several automatic heuristic-driven optimization algorithms representing complementary search strategies were created to explore among concrete constellation configuration plans. Evaluation of each candidate constellation plan was accelerated by efficiently combining precomputed caches of orbital and interferometric data. Results indicate that leveraging automated optimization for constellation mission design is both practical and illuminating: generated solutions provided both evidence for existing design intuitions as well as fresh insights into novel configurations.

Hernandez, Sonia↗
NASA NTRS1992

Variable-complexity aerodynamic-structural design of a high-speed civil transport wing

A variable-complexity strategy of combining simple and detailed analysis methods is presented for the design optimization of a high-speed civil transport (HSCT) wing. Two sets of results are shown: the aerodynamic design of the wing using algebraic weight equations for structural considerations, and optimization results of the internal wing structure for a fixed wing configuration. We show example results indicating that using simple analysis methods alone for the calculation of a critical constraint can allow an optimizer to exploit weaknesses in the analysis. The structural optimization results provide a valuable check for the weight equations used in the aerodynamic design. In addition, these results confirm the need for using simple, algebraic models in conjunction with more detailed analysis methods. A strategy of interlaced aerodynanic-structural design is proposed.

Hutchison, M. G.↗
DOE OSTI2023

Materials Design Directions for Solar Thermochemical Water Splitting

The sustainable, economical production of molecular hydrogen is a crucial component of a net zero-greenhouse-gas-emissions future. Solar thermochemical water splitting (STWS) offers a renewable route to hydrogen with the potential to help decarbonize several industries, including transportation, manufacturing, mining, metals processing, and electricity generation, as well as provide sustainable hydrogen as a chemical feedstock. STWS uses high temperatures generated from concentrated sunlight or other sustainable means for high-temperature heat to produce hydrogen and oxygen from steam. For example, in its simplest form of a two-step thermochemical cycle, a redox-active metal oxide is heated to ≈1700-2000 K, driving off molecular oxygen while producing oxygen vacancies in the material. The reduced metal oxide then cools (ideally with the extracted heat recuperated for re-use) and, in a separate step, comes into contact with steam, which reacts with oxygen vacancies to produce molecular hydrogen while recovering the original state of the metal oxide. Despite its promising use of the entire solar spectrum to split water thermochemically, the current estimated cost of hydrogen produced via STWS is ≈4-6× the U.S. Department of Energy (DOE) Hydrogen Shot target value of $1/kg. One contributing approach to bridging this cost gap is the design of new materials with improved thermodynamic properties to enable higher efficiencies. The state-of-the-art (SOA) redox-active metal oxide for STWS is ceria (CeO 2 ), due to its close to optimal, although too high, oxygen vacancy formation enthalpy and large configurational and electronic entropy of reduction. However, ceria requires high operating temperatures and its efficiency is insufficient. Therefore, efforts to increase the efficiency of STWS cycles have focused on further optimizing oxygen vacancy formation enthalpies and augmenting the reduction entropy via substitution or doping and materials discovery schemes. Examples of the latter include the perovskites BaCe 0.25 Mn 0.75 O 3 and (Ca,Ce)(Ti,Mn)O 3 . These efforts and others have revealed intuitive chemical principles for the efficient and systematic design of more effective materials, such as the strong correlation between the enthalpies of crystal bond dissociation and solid-state cation reduction with the enthalpy of oxygen vacancy formation, as well as configurational entropy augmentation via the coexistence of two or more redox-active cation sublattices. The purpose of this chapter is to prepare the reader with an up-to-date account of STWS redox-active materials, both the SOA and promising newcomers, as well as to provide chemically intuitive strategies for improving their cycle efficiencies through materials design – in conjunction with ongoing efforts in reactor engineering and gas separations – to reach the cost points for commercial viability. First, we will introduce the thermodynamics of STWS using a two-step, metal-oxide, thermochemical cycle with economics in mind. We also will compare the pros and cons of processes that do or do not involve phase changes. Second, we will describe the qualities that make ceria the SOA STWS redox-active material, as well as its limitations. Third, we will survey some of the most promising candidates to date in the search for materials to supplant ceria, emphasizing the post-ternary, metal-oxide-perovskite alloys. Lastly, we will enumerate and discuss the following materials design directions for STWS redox-active materials: crystal reduction potentials as a proxy for oxygen vacancy formation enthalpies, engineering the electronic and configurational entropy of reduction via f-shells and simultaneous redox, and vetting materials stability via temperature-dependent phase diagrams and melting-point prediction.

08 HYDROGEN↗
NASA NTRS2018

Implementation of Topology Optimization Using OpenMDAO

Topology optimization is one of the widely known branches among the structural optimization, and it distinguishes itself by a large design domain and versatility. It can determine the optimal design out of an infinite number of configurations, thereby drawing interest from both industry and academia with regards to its applicability to additive manufacturing. However, its implementation is often a daunting task for engineers in practice. One of the issues is the programming effort required whenever the implementation requires any changes, ranging from subtle tweaks to drastic changes in the problem definition, and the derivative computation must be correspondingly updated after any change. The implementation, therefore, is not only time-consuming but also repetitive and susceptible to human-induced errors. In this regard, topology optimization implementations stand to benefit from reusability, ease of restructuring, and modularity. In this work, we propose OpenMDAO, a computational framework for multidisciplinary design optimization (MDO), as a generic platform for topology optimization. Two widely used topology optimization techniquesâ€"density-based and level-setâ€"are implemented as a demonstration. These techniques are implemented in a decomposed manner, with the aid of the modular architecture of OpenMDAO as well as state-of-the-art numerical methods. Variations on the density-based topology optimization approach are shown to demonstrate the modularity and automation for derivative computation that OpenMDAO provides.

Chung, Hayoung↗
DOE OSTI2020

A Novel Active Optimization Approach for Rapid and Efficient Design Space Exploration Using Ensemble Machine Learning

In this work, a novel design optimization technique based on active learning, which involves dynamic exploration and exploitation of the design space of interest using an ensemble of machine learning algorithms, is presented. In this approach, a hybrid methodology incorporating an explorative weak learner (regularized basis function model) that fits high-level information about the response surface and an exploitative strong learner (based on committee machine) that fits finer details around promising regions identified by the weak learner is employed. For each design iteration, an aristocratic approach is used to select a set of nominees, where points that meet a threshold merit value as predicted by the weak learner are selected for evaluation. In addition to these points, the global optimum as predicted by the strong learner is also evaluated to enable rapid convergence to the actual global optimum once the most promising region has been identified by the optimizer. Additionally, this methodology is first tested by applying it to the optimization of a two-dimensional multi-modal surface and, subsequently, to a complex internal combustion (IC) engine combustion optimization case with nine control parameters related to fuel injection, initial thermodynamic conditions, and in-cylinder flow. It is found that the new approach significantly lowers the number of function evaluations that are needed to reach the optimum design configuration (by up to 80%) when compared to conventional optimization techniques, such as particle swarm and genetic algorithm-based optimization techniques.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Optimizing Process Conditions during Catalytic Fast Pyrolysis of Pine with Pt/TiO 2 —Improving the Viability of a Multiple-Fixed-Bed Configuration

Catalytic fast pyrolysis (CFP) has been identified as a promising pathway for the production of renewable fuels and co-products. However, continued technology development is needed to increase process efficiency and reduce process costs. This report builds upon previous research in which a bifunctional metal–acid Pt/TiO 2 catalyst was utilized in a fixed-bed reactor operated with co-fed H 2 to improve product yield and reduce coke generation compared to conventional CFP methods. Here, we report further process optimization, in which we achieved similar CFP oil carbon efficiency (>35%) and CFP oil oxygen content (<20 wt %) to our previous report while reducing catalyst and equipment costs by increasing time-on-stream between regenerations by 40–95% and decreasing required regeneration time by more than a factor of 2. These process improvements were achieved by conducting parameter sweeps to determine optimum conditions for CFP and regeneration with key variables including pyrolysis temperature, catalytic upgrading temperature, hydrogen partial pressure, and regeneration oxygen concentration. Coupled with comprehensive oil analyses, these data provide foundational insight into the deoxygenation and coking chemistries for CFP under realistic process conditions while also advancing the technology through applied engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Design Considerations for Fusible Heat Sink

Traditionally radiator designs are based off a passive or flow through design depending on vehicle requirements. For cyclical heat loads, a novel idea of combining a full flow through radiator to a phase change material is currently being investigated. The flow through radiator can be designed for an average heat load while the phase change material can be used as a source of supplemental heat rejections when vehicle heat loads go above the average load. Furthermore, by using water as the phase change material, harmful radiation protection can be provided to the crew. This paper discusses numerous trades conducted to understand the most optimal fusible heat sink design for a particular heat load. Trades include configuration concepts, amount of phase change needed for supplemental heat rejection, and the form of interstitial material needed for optimal performance. These trades were used to culminate to a fusible heat sink design. The paper will discuss design parameters taken into account to develop an engineering development unit.

Cognata, Thomas J.↗
NASA NTRS1980

Evaluation of laminar flow control system concepts for subsonic commercial transport aircraft

A study was conducted to evaluate alternatives in the design of laminar flow control (LFC) subsonic commercial transport aircraft for operation in the 1980's period. Analyses were conducted to select mission parameters and define optimum aircraft configurational parameters for the selected mission, defined by a passenger payload of 400 and a design range of 12,038 km (6500 n mi). The baseline aircraft developed for this mission was used as a vehicle for the evaluation and development of alternative LFC system concepts. Alternatives were evaluated in the areas of aerodynamics structures, materials, LFC systems, leading-edge region cleaning and integration of auxiliary systems. Based on these evaluations, concept in each area were selected for further development and testing and ultimate incorporation in the final study aircraft. Relative to a similarly-optimized advanced technology turbulent transport, the final LFC configuration is approximately equal in direct operating cost but provides decreases of 8.2% in gross weight and 21.7% in fuel consumption.

Source record↗
DOE OSTI2023

Direct Expansion Heat Pump Using High Glide Low GWP Refrigerant

Next generation of refrigerants require drastically lower global warming potential (GWP). The refrigerant mixtures, with a GWP < 150, e.g., R-457A, etc., tend to have significant temperature glide, which prefer multi-row, cross counter flow configuration. Typical heat pump operation reverses the refrigerant flow direction, compared to the air flow, from cooling mode to heating mode. It is difficult to configurate cross counter-flow heat exchangers in heat pumps. We invented an innovative configuration, having check valve assembly to maintain uniform cross counter flow configuration in both cooling and heat modes, which optimizes the performance of a high temperature slide refrigerant mixture, i.e. R-457A. Based on it, we developed a laboratory prototype, using a 2-stage compressor, achieved a cooling SEER (cooling seasonal energy efficiency rating) of 16.0 (cooling seasonal COP of 4.69) and a heating HSPF (heating seasonal performance factor) > 9.5 (heating seasonal COP of 2.78). The unit was tested in an extensive ambient condition, heating operation from 5˚F to 62˚F (-15˚C to 16.7˚C); cooling operation from 82˚F to 95˚F (27.8˚C to 35˚C). The paper will introduce the system configuration, heat exchanger dimensions and laboratory investigations.

Shen, Bo↗
DOE OSTI2020

Efficient Treatment of Large Active Spaces through Multi-GPU Parallel Implementation of Direct Configuration Interaction

In this study, we have extended our graphical processing unit (GPU)-accelerated direct configuration interaction program to multiple devices, reducing iteration times for configuration spaces of 165 million determinants to only 3 s using NVIDIA P100 GPUs. Similar improvements in the one- and two-particle reduced density matrix formation allow for fast analytical energy gradients and electronic properties. Our parallel algorithm enables the calculation of arbitrarily large configuration spaces (limited only by available system memory), with iteration times of 13 min for an active space of 18 electrons in 18 orbitals (2.4 billion determinants) using six consumer grade NVIDIA 1080Ti GPUs. These advances enable routine molecular dynamics simulations, geometry optimizations, and absorption spectrum calculations for molecules with large configuration spaces, a task that has heretofore required massive computational effort. In this work, we demonstrate the utility of our program by generating the absorption spectrum for diphenyl acetylene at the floating occupation molecular orbital complete active space configuration interaction level of theory. Lastly, several active spaces were investigated to assess the dependence of spectral features on orbital space dimension.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Heat transfer analysis of the Bridgman-Stockbarger configuration for crystal growth. Part 1: Analytical treatment of the axial temperature distribution

All first order effects on the axial temperature distribution in a solidifying charge in a Bridgman-Stockbarger configuration for crystal growth are analyzed on the basis of a one dimensional model whose validity can be verified through comparison with published finite difference ana;uses of two dimensional models. The model presented includes an insulated region between axially aligned heat pipes and considers the effects of charge diameter, charge motion, thickness, and thermal conductivity of a confining crucible, thermal conductivity change at the crystal-melt interface, generation of latent heat at the interface, and finite charge length. Results are primarily given in analytical form and can be used without recourse to computer work for both improve furnace design and optimization of growth conditions in a given thermal configuration.

Jasinski, T. J.↗