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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Development of an Integrated Rocket Thrust Chamber Assembly Analysis and Design Toolkit (TCAT)

There are many individual computational tools and methods used to analyze and design components of a rocket engine thrust chamber assembly (TCA) 11,21. To analyze and design a thrust chamber assembly these tools are usually used in sequence while communication of information between these tools is usually done manually. Each component of a TCA is usually designed and optimized individually with limited considerations on system optimized design. This approach is often iterative and can be prone to error. Also at present, expert knowledge of each tool is required. The objective of this software development effort is to select, integrate and automate the best tools into an easy-to-use computational package, the Thrust Chamber Analysis Toolkit (TCAT). This tool will provide a seamless process to analyze and design all or individual components of a thrust chamber assembly. This paper describes the current status of the MAT software development. The selected component codes and their capabilities are briefly described. User and module interfaces and integration status are presented. MAT pre- and post-processing added options are presented and overall MAT capabilities are demonstrated with the results of sample cases. Ongoing and planned model validation efforts are also described. Finally, the MAT future plan options are discussed.

Farhangi, S.↗
NASA NTRSDate not supplied

Automation of the ICME Workflow Incorporating Material Digital Twins at Different Length Scales Within a Robust Information Management System

Recent successes in Integrated Computational Materials Engineering (ICME) have demonstrated the potential in designing fit-for-purpose materials for a given application in a cost and time efficient manner. However, the material design process must contain a level of automation in the material decision process, implementing some optimization algorithms, to truly enable the full benefits of ICME, particularly when considering materials at multiple length/time scales. In this work, we will demonstrate how the GRC ICME schema and Python framework automates a workflow that captures, analyzes, maintains, and disseminates the digital footprint in the context of tailoring resin material at the nanoscale of a woven composite Y-joint at the macroscale for an Aurora D8 double bubble fuselage. This digital footprint incorporates the interaction of both structural digital twins and material twins at various length scales.

Brandon L. Hearley↗
DOE OSTI2023

CO2 Valorization via Rewiring Carbon Metabolic Network

Energizing the world sustainably requires revolutionizing the way we harness natural resources. New renewable technologies include the microbiological upgrading of CO2, the primary greenhouse gas that causes climate change. This project aims to develop a new bioeconomy by taking up CO2 and converting it into high-value products using an autotrophic microbe. Specifically, the team constructed an acetogenic bacterium, Clostridium ljungdahlii, and developed gas fermentation processes that convert syngas (CO2/H2/CO) to the platform compound 3-hydroxybutyrate (3HB). The project has achieved several key successes, including the design and construction of 3HB genes in the gas-fermenting bacterium, the identification of a native 3HB pathway, the conversion of syngas to 3HB through strain engineering, and the improvement of the conversion through rational and iterative strain development. The optimized strain has achieved industry-relevant production rates (0.1 g/L/h) and titers (9.2 g/L), and sustained continuous gas fermentation for 3HB production for > 50 days in a bench-top gas bioreactor. The project has both industrial and scientific implications, including the exploitation of host microbes and processes to improve industrial-scale production of value-added compounds from CO2, and the promotion of gas fermentation technology. The team is also strengthening R&D synergies with other teams and industrial partners in the CO2 consortium, developing cutting-edge approaches for rapid and rational engineering of gas-fermenting hosts, and dissecting the thermodynamics and kinetics of processes for biological syngas valorization. So far, one patent application and one research article have resulted from this work, and the team anticipates additional significant outcomes from this project.

3-hydroxybutyrate↗
DOE OSTI2025

Recent Progress in Solid‐State Lithium Batteries through Cathode Microstructure Engineering

A high‐performance cathode is necessary to realize the great potentials of solid‐state batteries such as high energy density and long cycle life. It is also needed to validate electrolyte performance, which is lacking. Currently, cathodes for solid‐state batteries are thinner and have lower cathode active material content than their lithium‐ion battery counterpart, resulting from insufficient conductivity and limiting the battery energy density. This review article provides an overview of recent development in cathode microstructures and their impact on battery properties, including compatibility between cathode and electrolyte, cathode architecture design, interface engineering, correlation between material properties, cathode processing approaches, and performance, as well as the advanced characterization methods used to understand the above correlations . Some perspectives on future development are shared including utilizing in situ and operando characterization tools to better understand dynamic evolution of the cathode/electrolyte interface, adapting artificial intelligence and machine learning to design and optimize cathode structures. The article is aimed to promote research interest on cathode development and advance solid‐state battery technologies.

cathode engineering↗
NASA NTRS2012

Structural Analysis and Optimization of a Composite Fan Blade for Future Aircraft Engine

This report addresses the structural analysis and optimization of a composite fan blade sized for a large aircraft engine. An existing baseline solid metallic fan blade was used as a starting point to develop a hybrid honeycomb sandwich construction with a polymer matrix composite face sheet and honeycomb aluminum core replacing the original baseline solid metallic fan model made of titanium. The focus of this work is to design the sandwich composite blade with the optimum number of plies for the face sheet that will withstand the combined pressure and centrifugal loads while the constraints are satisfied and the baseline aerodynamic and geometric parameters are maintained. To satisfy the requirements, a sandwich construction for the blade is proposed with composite face sheets and a weak core made of honeycomb aluminum material. For aerodynamic considerations, the thickness of the core is optimized whereas the overall blade thickness is held fixed so as to not alter the original airfoil geometry. Weight is taken as the objective function to be minimized by varying the core thickness of the blade within specified upper and lower bounds. Constraints are imposed on radial displacement limitations and ply failure strength. From the optimum design, the minimum number of plies, which will not fail, is back-calculated. The ply lay-up of the blade is adjusted from the calculated number of plies and final structural analysis is performed. Analyses were carried out by utilizing the OpenMDAO Framework, developed at NASA Glenn Research Center combining optimization with structural assessment.

Coroneos, Rula M.↗
DOE OSTI2023

Engineering the formation of spin-defects from first principles

The full realization of spin qubits for quantum technologies relies on the ability to control and design the formation processes of spin defects in semiconductors and insulators. We present a computational protocol to investigate the synthesis of point-defects at the atomistic level, and we apply it to the study of a promising spin-qubit in silicon carbide, the divacancy (VV). Our strategy combines electronic structure calculations based on density functional theory and enhanced sampling techniques coupled with first principles molecular dynamics. We predict the optimal annealing temperatures for the formation of VVs at high temperature and show how to engineer the Fermi level of the material to optimize the defect’s yield for several polytypes of silicon carbide. Our results are in excellent agreement with available experimental data and provide novel atomistic insights into point defect formation and annihilation processes as a function of temperature.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Techniques for optimizing human-machine information transfer related to real-time interactive display systems

In recent years the needs of ground-based researcher-analysts to access real-time engineering data in the form of processed information has expanded rapidly. Fortunately, the capacity to deliver that information has also expanded. The development of advanced display systems is essential to the success of a research test activity. Those developed at the National Aeronautics and Space Administration (NASA), Western Aeronautical Test Range (WATR), range from simple alphanumerics to interactive mapping and graphics. These unique display systems are designed not only to meet basic information display requirements of the user, but also to take advantage of techniques for optimizing information display. Future ground-based display systems will rely heavily not only on new technologies, but also on interaction with the human user and the associated productivity with that interaction. The psychological abilities and limitations of the user will become even more important in defining the difference between a usable and a useful display system. This paper reviews the requirements for development of real-time displays; the psychological aspects of design such as the layout, color selection, real-time response rate, and interactivity of displays; and an analysis of some existing WATR displays.

Granaas, Michael M.↗
DOE OSTI2023

Stochastic Models, Indices & Optimization Algorithms for Pricing & Hedging Reliability Risks in Modern Power Grids: Data Plan - Princeton

We collected and cleaned the synthetic grid data produced by NREL for the Texas and New York synthetic grids. We developed a high dimensional joint stochastic model for load at the zone level, and solar and wind power productions at the asset level, capturing the spatial and temporal dependencies between all the variables, and demonstrated how such a model could be fitted to historical data. We designed and implemented a simulation engine which can produce Monte Carlo scenarios for the hourly day-ahead values of load, and solar and wind power productions at the spatial and temporal resolutions of the historical data used to fit the model. Finally we developed an open-source Python package which can, from an input grid model, efficiently use forecasts and large numbers of Monte Carlo scenarios to provide unit commitment and economic dispatch for each of these scenarios. The high dimensional stochastic model and the subsequent Monte Carlo simulation engine were implemented in the package PGscen and the corresponding UC and ED optimization programs in the package Vatic.

14 SOLAR ENERGY↗
DOE OSTI2023

Milligrams to kilograms: making microbes work at scale

Energy is one of the most complex fields of study and an issue that influences nearly every aspect of modern life. Over the past century, combustion of fossil fuels, particularly in the transportation sector, has been the dominant form of energy release. Refining of petroleum and natural gas into liquid transportation fuels is also the centerpiece of the modern chemical industry used to produce materials, solvents, and other consumer goods. In the face of global climate change, the world is searching for alternative, sustainable means of producing energy carriers and chemical building blocks. The use of biofuels in engines predates modern refinery optimization and today represents a small but significant fraction of liquid transportation fuels burnt each year. Similarly, white biotechnology has been used to produce many natural products through fermentation. The evolution of recombinant DNA technology into modern synthetic biology has expanded the scope of biofuels and bioproducts that can be made by biocatalysts. This opinion examines the current trends in this research space, highlighting the substantial growth in computational tools and the growing influence of renewable electricity in the design of metabolic engineering strategies. In short, advanced biofuel and bioproduct synthesis remains a vibrant and critically important field of study whose focus is shifting away from the conversion of lignocellulosic biomass towards a broader consideration of how to reduce carbon dioxide to fuels and chemical products.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1993

DUKSUP - A high thrust trajectory optimization code

Designing missions on expendable launch vehicles (ELV's) includes determining launch vehicle performance capabilities and trajectory characteristics over the range of mission requirements for suitable launch periods. This analysis depends on mathematically modeling both the launch vehicle and the mission requirements. Generally the result is a mathematical model that is described by an objective function to be optimized subject to an assortment of algebraic and dynamic constraints. About 30 years ago, engineers at Lewis Research Center (LeRC) undertook the task of creating a software code to solve 3D versions of such problems and based it on the Calculus of Variations/Optimal Control Theory. One of these codes, DUKSUP, has been in use at LeRC for nearly 25 years, during which time it has played an important role in a large number of studies and actual missions. Currently it is being used by about 12 analysts in the Center's Advanced Space Analysis Office (ASAO) to do mission design, feasibility studies, corroboration of contractor data and planning studies for the Space Exploration Initiative (SEI). Today, it is one of the few ELV mission analysis production codes based on variational methods. With future ELV missions in mind, ASAO is presently creating a new code to upgrade DUKSUP's capabilities.

Balkanyi, Leslie R.↗
DOE OSTI2025

Scaled-up fabrication of durable and porous adsorbent-coated minichannels on aluminum for CO 2 separation

A method was developed to fabricate zeolite 13X adsorbent-coated minichannels on aluminum for CO₂ adsorption applications in this study. It emphasizes the innovative use of aluminum as a substrate, which offers airtight assembly, paving the way for highly efficient adsorption systems. An optimized coating process was developed using a slurry of Zeolite 13X, yeast, sugar, and xanthan gum, resulting in durable and highly porous layers that enhance CO₂ capture performance. A PETG peeler was designed to remove the top layer of the yeast-engineered adsorbent coatings, revealing a super porous and foamy structure. The teeth of the peeler were designed and fabricated for high repeatability and rapid prototyping. Breakthrough experiments were conducted on the scaled-up adsorbent bed using gas mixtures of 80% CO₂, 20% N₂, and 20% CO₂, 80% N₂ to represent different industrial scenarios. The performance of the bed was evaluated at flow rates of 160 and 190 cm³ min -1 using a Raman Laser Gas Analyzer (RLGA), demonstrating stable adsorption without degradation across multiple cycles. Computational modeling of integral transport phenomena under the chosen experimental conditions was pursued using gPROMS ProcessBuilder™, and the modeling results were compared with those from the tests for adsorption time, which resulted in an error margin of 2% to 9% for the breakthrough time, confirming the easy reproducibility of the design through modeling. This research advances CO₂ capture technologies by providing an effective and scalable solution for producing aluminum-based adsorbent coated beds, supporting industrial carbon capture efforts.

CO2 capture↗
DOE OSTI2026

Controlling homogenization length scales and microstructure in additively manufactured Ti-Ta functionally graded materials

Materials with smooth compositional gradients or functionally grade materials (FGMs) produced via additive manufacturing (AM), enables joining dissimilar materials and optimizing multiple properties in advanced engineering applications. However, as-printed AM microstructures exhibit micro-segregation and solidification defects which, when combined with controlling macroscale gradient properties, complicates necessary post-processing. Here, we use CALPHAD-informed diffusion modelling to design post-processing heat treatments for lightweight to refractory FGMs. Ti-Ta (0 to 85 at. % Ta) FGMs were fabricated using laser-based directed energy deposition AM. Post-processing heat treatments at 1000° C and 1500° C were designed to promote homogenization across specific length scales and experimentally validated. Investigation of chemical segregation and microstructures demonstrated that the length scale of homogenization is controlled as a function of time, temperature, and local composition. Ta-rich regions exhibited incomplete homogenization compared to Ti-rich layers. Unmelted Ta particles were found to completely dissolve at 1500 °C. By controlling cooling rate (200 °C/min), martensitic structures were produced between 14–36 at. % Ta, consistent with martensite-start temperatures calculations, while furnace cooling (2 °C/min) produced α+β morphologies. This work establishes a validated predictive framework for designing post-processing to tailor microstructure and chemical architecture in AM FGMs, facilitating their deployment in demanding environments.

Materials science↗
DOE OSTI2020

Electronic structure and oxophilicity optimization of mono-layer Pt for efficient electrocatalysis

The slow kinetics of the anodic hydrogen oxidation reaction (HOR) in alkaline medium is one of the limitations for anion exchange membrane fuel cells (AEMFCs). Hence, accurately regulate and understand catalytic interface structure are essential to solve this bottleneck and reveal the structure-activity relationship. In this work, a novel trimetal core-shell model with mono-layer Pt-shell is employed for hydrogen electrooxidation to avoid thermodynamic driven bulk/surface composition deviation. On account of the atomic radius discrepancies of 3d-transition metals M (M = Fe, Co and Cu), the electronic structure of mono-layer Pt is regulated by the strain-engineered Pd-M core and the electrocatalytic activity for HOR is tuned accordingly. Nevertheless, step-by-step electrochemical monitoring and surface-treatment experiments indicate that the oxophilicity optimization by low-valence M(OH) x species, rather than the hydrogen binding energy (HBE) optimization caused by strain engineering, influence the activity obviously. It is mainly derived from the enhanced adsorption of OH ad and accelerated desorption of the H ad . The trimetal core-shell model breathes new life into the low-Pt catalyst design for hydrogen electrooxidation reaction.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

An unstructured mesh based neutronics optimization workflow

We have developed a fully automated workflow to optimize the neutronics performance of the Second Target Station (STS) at the Oak Ridge National Laboratory’s Spallation Neutron Source. The optimization workflow starts with the parametrized solid CAD engineering models and converts them into the unstructured mesh (UM) models for the neutronics calculations with MCNP6.2. Calculations are executed and their results are loaded into the Dakota optimization toolkit. Dakota analyzes the results and proposes new geometry parameters for the next design iteration. The cycle repeats until the optimal parameters are found. The automated CAD to MCNP conversion, the use of high-fidelity UM models, and the use of modern optimizer are the key elements that advance the entire optimization workflow in comparison with the original workflow. The original workflow was based on a simplified constructive solid geometry (CSG) modeling with MCNPX, mcnp_pstudy tool, and an in-house optimizer. Herein to demonstrate the new workflow, we present a case of neutronics optimization of the moderator–reflector assembly (MRA). Apart from the MRA, the workflow can optimize other major STS components, such as the spallation target, neutron beamlines, radiation shielding, and various accelerator components. Importantly, the new workflow opens the door to the advanced multi-physics multi-parameter optimization and has the potential for use in other nuclear physics and accelerator applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Photon-Number-Dependent Hamiltonian Engineering for Cavities

Cavity resonators are promising resources for quantum technology, while native nonlinear interactions for cavities are typically too weak to provide the level of quantum control required to deliver complex targeted operations. Here we investigate a scheme to engineer a target Hamiltonian for photonic cavities using ancilla qubits. By off resonantly driving dispersively coupled ancilla qubits, we develop an optimized approach to engineering an arbitrary photon-number-dependent Hamiltonian for the cavities while minimizing the operation errors. Here, the engineered Hamiltonian admits various applications including canceling unwanted cavity self-Kerr interactions, creating higher-order nonlinearities for quantum simulations, and designing quantum gates resilient to noise. Our scheme can be implemented with coupled microwave cavities and transmon qubits in superconducting circuit systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Simultaneous Reduction of NOx and Fuel Consumption for Off-Road Powertrains

Simultaneously reducing criteria pollutants and fuel consumption is important for clean air and improving vehicle total cost of ownership. The goal of this effort was focused on a 90% NOx reduction and 10% fuel savings for an off-road 407 kW diesel engine. The baseline was a production Fiat Powertrain 13L engine and aftertreatment system meeting 0.4 g/kW-hr NOx. The baseline system was quantified over the NRTC, RMC, new low load cycle and five field cycles. A next generation engine was built incorporating several fuel-efficient design features, including a higher compression ratio, increased fuel-rail pressure, low-friction piston rings, and a high-efficiency variable-geometry turbocharger. Cylinder deactivation and EGR pump technologies were added to this engine as well. The combination was optimized prior to adding advanced aftertreatment systems, showing the trade-off of engine out NOx and exhaust temperature. Two next-generation catalyst technologies were employed into a LO-SCR plus main SCR system, both with and without an electric heater upstream of the LO-SCR. These catalysts were hydrothermally aged to simulate significant field use. Dual SCR dosing with newly developed controls played a critical role in achieving the proper split between the upstream LO-SCR and the downstream main SCR. Adding a next generation mixer for the downstream SCR proved essential in obtaining the final results. The optimal configuration required adding an electric heater to elevate the exhaust temperature at the LO-SCR for early cycle NOx reduction. The final results showed a 94.8% NOx reduction and 15.7% fuel savings on the composite NRTC.

McCarthy, James [Eaton Corporation]↗
NASA NTRS1983

V/STOL model fan stage rig design report

A model single-stage fan with variable inlet guide vanes (VIGV) was designed to demonstrate efficient point operation while providing flow and pressure ratio modulation capability required for a V/STOL propulsion system. The fan stage incorporates a split-flap VIGV with an independently actuated ID flap to permit independent modulation of fan and core engine airstreams, a flow splitter integrally designed into the blade and vanes to completely segregate fan and core airstreams in order to maximize core stream supercharging for V/STOL operation, and an EGV with a variable leading edge fan flap for rig performance optimization. The stage was designed for a maximum flow size of 37.4 kg/s (82.3 lb/s) for compatibility with LeRC test facility requirements. Design values at maximum flow for blade tip velocity and stage pressure ratio are 472 m/s (1550 ft/s) and 1.68, respectively.

Cheatham, J. G.↗
NASA NTRS1989

Performance potential of an advanced technology Mach 3 turbojet engine installed on a conceptual high-speed civil transport

The performance of an advanced technology conceptual turbojet optimized for a high-speed civil aircraft is presented. This information represents an estimate of performance of a Mach 3 Brayton (gas turbine) cycle engine optimized for minimum fuel burned at supersonic cruise. This conceptual engine had no noise or environmental constraints imposed upon it. The purpose of this data is to define an upper boundary on the propulsion performance for a conceptual commercial Mach 3 transport design. A comparison is presented demonstrating the impact of the technology proposed for this conceptual engine on the weight and other characteristics of a proposed high-speed civil transport. This comparison indicates that the advanced technology turbojet described could reduce the gross weight of a hypothetical Mach 3 high-speed civil transport design from about 714,000 pounds to about 545,000 pounds. The aircraft with the baseline engine and the aircraft with the advanced technology engine are described.

Morris, Shelby J., Jr.↗