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All sources NASA NTRS DOE OSTI

DOE OSTI2025

White Paper: Research & Development for the Time at Temperature Approach

Recent advancements in nuclear power research are greatly improving reactor safety and performance through the development of Accident Tolerant Fuel (ATF) and Low-Enriched Uranium Plus (LEU+). These innovations can address Departure from Nucleate Boiling (DNB) margins, which are vital for reactor safety. DNB happens when the coolant switches to film boiling, significantly decreasing heat transfer and posing a risk of fuel cladding failure. The U.S. Nuclear Regulatory Commission (NRC) employs conservative DNB criteria, which can potentially restrict the operational flexibility and efficiency of reactors. The Time at Temperature (TaT) approach could provide a more detailed and adaptable operational guideline by establishing acceptable time-temperature limits, accounting for the duration a material can withstand elevated temperatures without losing its integrity. This method allows reactors to operate more efficiently and safely, offering additional operational margins, faster power adjustments, and improved fuel cycle economics. TaT criteria allow for higher power levels and more flexible responses to operational transients, particularly applicable for anticipated operational occurrences (AOOs) that result in short durations of post-DNB conditions. It enhances plant operational flexibility, allows faster startup times, and enables quicker power level adjustments, optimizing fuel loading patterns and improving fuel cycle economics. Implementing TaT limits reduces core design constraints, lowers fuel usage, and reduces costs, essential for the long-term sustainability of Light Water Reactors (LWRs). TaT maximizes the use of advanced fuel technologies like ATF and LEU+, further enhancing their economic and environmental benefits. To apply the TaT approach in existing LWRs, collaborative research activities among various DOE-sponsored programs are essential. These efforts should incorporate fuel experiments, physics-based high-fidelity modeling, ML-based surrogate modeling, and optimization techniques. This whitepaper proposes four research and development areas: 1) Investigation of the feasibility of new operations of LWR with updated safety limits; 2) Assessment of reactor operation limits through uncertainty reduction; 3) Evaluation of power uprate in virtual environment; and 4) Lattice and reactor core design for power uprate. Each area includes why this research is in need and a suggested scope of work. These comprehensive research areas ensure practical and beneficial advancements for existing reactors, translating innovations in nuclear fuel and cladding technology into improved reactor performance and safety.

42 - ENGINEERING↗

NASA NTRS2019

Safe and Optimal Techniques Enabling Recovery, Integrity, and Assurance

There is a trend in the aviation industry to go from federated to integrated computing systems. Combining a number of traditional stand-alone federated systems into an integrated common platform (called Integrated Modular Avionics, IMA) has the benefit of increased power efficiency, reduced support hardware, and reduced cabling. However, changing from federated to integrated has a significant impact on the system architecture and hence the process of how avionic systems are to be analyzed. Traditional approaches to safety analysis become inefficient when functional boundaries can no longer be assumed for failure independence and fault isolation. In this report, we describe a tool that we developed to accelerate the safety engineer's ability to perform safety analysis of IMA systems through modeling, as well as optimize the system engineer's ability to develop a system through architecture synthesis. This work was the result of a three-year research effort called SOTERIA (Safe and Optimal Techniques Enabling Recovery, Integrity, and Assurance). We developed a compositional modeling language that supports rapid development, modification, and evaluation of architectures. The modeling language is structured such that the end-user defines a library of components with information on component reliability, connectivity, and fault propagation logic. The system model is built by instantiating the components from the library, connecting the components, and identifying the top-level faults of interest. Our tool is compositional in that the end-user only needs to define safety aspects at the component level. The tool takes the model and automatically synthesizes both the qualitative and quantitative safety analyses. We go further by allowing users to describe system information such as components to use in an architecture and their connection compatibility and automatically synthesize an architecture that meets the top-level probability target adhering to end-user specified constraints. This capability allows users to rapidly explore a design space..

Siu, Kit Y.↗

DOE OSTI2025

Engineering the hyperthermophilic archaeon Pyrococcus furiosus for 1-propanol production

ABSTRACT Society relies heavily on chemicals traditionally produced through the refinement of fossil fuels. The conversion of renewable biomass to value-added chemicals by microbes, particularly hyperthermophiles (T opt ≥80°C), offers a renewable alternative to this traditional approach. Herein, we describe the engineering of the hyperthermophilic archaeon Pyrococcus furiosus , which grows optimally (T opt ) at 100°C, for the conversion of sugar to 1-propanol. This was accomplished by constructing a hybrid metabolic pathway consisting of two native and seven heterologously produced enzymes to convert acetyl-CoA from carbohydrate metabolism to 1-propanol. A total of eleven foreign genes from two other organisms were utilized, one from the thermophilic bacterium Thermoanaerobacter sp. strain X514 and 10 from the thermoacidophilic archaeon Metallosphaera sedula, both of which grow optimally near 70°C. The recombinant P. furiosus strain produced 1-propanol at similar concentrations (up to ~1 mM) when incubated at 75°C to activate the gene products of Thermoanaerobacter sp. strain X514 and M. sedula and by initially incubating at 95°C for P. furiosus growth and then subsequently returning to 75°C to promote 1-propanol formation. Note that 1-propanol was not produced if the culture was grown only at 95°C. This work has the potential for future optimization through harnessing the genome-scale metabolic model of P. furiosus that was used herein to identify engineering targets to increase 1-propanol titer. IMPORTANCE As petroleum reserves become increasingly strained, the development of renewable alternatives to traditional chemical synthesis becomes more important. In this work, a high-temperature biological system for sugar to 1-propanol conversion was demonstrated by metabolic engineering of the hyperthermophilic archaeon Pyrococcus furiosus (T opt 100°C). The engineered strain produced 1-propanol by temperature shifting from 75°C to 95°C and then back to 75°C to accommodate the temperature ranges for native and foreign proteins associated with 1-propanol biosynthesis. Genome-scale metabolic modeling informed the carbon and reductant flux in the system, identified potential factors limiting 1-propanol production, and revealed potential optimization targets.

O'Quinn, Hailey C. (ORCID:0009000274865755)↗

DOE OSTI2022

Interleukin-2 superkines by computational design

Significance While computational engineering of therapeutic proteins is a desirable goal, in practice the optimization of protein–protein interactions requires substantial experimental intervention. We present here a computational approach that focuses on stabilizing core protein structures rather than engineering the protein–protein interface. Using this approach, we designed thermostabilized interleukin-2 (IL-2) variants that bind tightly to their receptor without experimental optimization, mimicking the properties of the yeast-display engineered IL-2 variant “super-2.” Our results suggest that structure-guided stabilization may be a general method for in silico affinity maturation of protein–protein interactions.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRSDate not supplied

Process Development and Hot-fire Testing of Additively Manufactured NASA HR-1 for Liquid Rocket Engine Applications

Additive manufacturing (AM) has provided new design and manufacturing opportunities to reduce cost and schedules, consolidate parts, and optimize performance. One technique being evaluated is Laser Powder Directed Energy Deposition (LP-DED), which provides a significant increase in scale compared to Laser Powder Bed Fusion (L-PBF). NASA along with industry partners have been developing the LP-DED process to demonstrate internal channel geometry and development components for use in liquid rocket engine channel cooled nozzles. Optimized materials in the extreme high pressure and hydrogen environment for liquid rocket engines remains a key challenge. NASA has advanced an enabling material called NASA HR-1 (Hydrogen Resistant -1) as a solution using AM techniques. NASA HR-1 is a high-strength Fe-Ni superalloy designed to resist high pressure, hydrogen environment embrittlement, oxidation, and corrosion. NASA HR-1 meets materials requirements for liquid rocket engine components, including good hydrogen resistance, high conductivity, good low cycle fatigue performance, and high elongation and strength for components in high heat flux environments. Material properties and process characterization have been completed on the high density thin-wall material in addition to advancements of the supply chain. NASA has also completed fabrication of several subscale and full-scale channel wall nozzles in LP-DED NASA HR-1 and completed hot-fire testing. This includes refinement of the process to produce thin-walls and various channel geometries to meet the requirements for channel wall nozzle applications. This paper will provide an overview of the LP-DED process development, material characterization and properties, component manufacturing, and hot-fire testing. Hot-fire testing was completed for a lander-class 7K-lbf thrust chamber using Liquid Oxygen (LOX)/Methane. The design overview and results from hot-fire testing will be presented in addition to hardware development for future testing on 2K-lbf and 35k-lbf thrust chambers and large-scale manufacturing technology demonstrators.

DED↗

NASA NTRSDate not supplied

Process Development and Hot-fire Testing of Additively Manufactured NASA HR-1 for Liquid Rocket Engine Applications

Additive Manufacturing↗

DOE OSTI2021

Skeletal model reduction with forced optimally time dependent modes

Skeletal model reduction based on local sensitivity analysis of time dependent systems is presented in which sensitivities are modeled by forced optimally time dependent (f-OTD) modes. The f-OTD factorizes the sensitivity coefficient matrix into a compressed format as the product of two skinny matrices, i.e. f-OTD modes and f-OTD coefficients. The modes create a low-dimensional, time dependent, orthonormal basis which capture the directions of the phase space associated with most dominant sensitivities. These directions highlight the instantaneous active species, and reaction paths. Evolution equations for the f-OTD modes and coefficients are derived, and the implementation of f-OTD for skeletal reduction is described. For demonstration, skeletal reduction is conducted of the constant pressure ethylene-air burning in a zero-dimensional reactor, and new reduced models are generated. The laminar flame speed, the ignition delay, and the extinction curve as predicted by the models are compared against some existing skeletal models in literature for the same detailed model. Finally, the results demonstrate the capability of f-OTD to eliminate unimportant reactions and species in a systematic, efficient and accurate manner.

42 ENGINEERING↗

DOE OSTI2023

A Predictive Prescription Framework for Stochastic Unit Commitment Using Boosting Ensemble Learning Algorithms

To take unit commitment (UC) decisions under uncertain load, most existing stochastic optimization (SO) frameworks adopt a generic representation of uncertainty. While load levels that materialize on a particular day are influenced by various covariates (such as the day of the week or temperature), SO frameworks typically disregard such side observations, wasting actionable information that could significantly enhance decision quality. Here, this article proposes a contextual SO (CSO) framework for UC under uncertain load, which can effectively exploit covariate observations in conjunction with a class of machine learning (ML) algorithms to improve the out-of-sample performance of UC decisions. It shows how three ML algorithms, adaptive boosting, gradient boosted trees, and extreme gradient boosting, can be used to this end, constituting the first application of these algorithms in any CSO framework. Using real-world data harvested from the New York ISO grid, we measure the out-of-sample performance of the framework in terms of total operation cost, shed load values, locational marginal prices, and total payments by the loads, against several benchmark methods proposed in the literature. The article has an online companion (Yurdakul et al.), wherein we present additional results and lay out further mathematical formulations used in this work.

42 ENGINEERING↗

DOE OSTI2020

PANNA: Properties from Artificial Neural Network Architectures

We report prediction of material properties from first principles is often a computationally expensive task. Recently, artificial neural networks and other machine learning approaches have been successfully employed to obtain accurate models at a low computational cost by leveraging existing example data. Here, we present a software package “Properties from Artificial Neural Network Architectures” (PANNA) that provides a comprehensive toolkit for creating neural network models for atomistic systems following the Behler–Parrinello topology. Besides the core routines for neural network training, it includes data parser, descriptor builder for Behler–Parrinello class of symmetry functions and force-field generator suitable for integration within molecular dynamics packages. PANNA offers a variety of activation and cost functions, regularization methods, as well as the possibility of using fully-connected networks with custom size for each atomic species. PANNA benefits from the optimization and hardware-flexibility of the underlying TensorFlow engine which allows it to be used on multiple CPU/GPU/TPU systems, making it possible to develop and optimize neural network models based on large datasets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2016

Engineering Design Tools for Shape Memory Alloy Actuators: CASMART Collaborative Best Practices and Case Studies

The primary goal of the Consortium for the Advancement of Shape Memory Alloy Research and Technology (CASMART) is to enable the design of revolutionary applications based on shape memory alloy (SMA) technology. In order to help realize this goal and reduce the development time and required experience for the fabrication of SMA actuation systems, several modeling tools have been developed for common actuator types and are discussed herein along with case studies, which highlight the capabilities and limitations of these tools. Due to their ability to sustain high stresses and recover large deformations, SMAs have many potential applications as reliable, lightweight, solid-state actuators. Their advantage over classical actuators can also be further improved when the actuator geometry is modified to fit the specific application. In this paper, three common actuator designs are studied: wires, which are lightweight, low-profile, and easily implemented; springs, which offer actuation strokes upwards of 200 at reduced mechanical loads; and torque tubes, which can provide large actuation forces in small volumes and develop a repeatable zero-load actuation response (known as the two-way shape memory effect). The modeling frameworks, which have been implemented in the design tools, are developed for each of these frequently used SMA actuator types. In order to demonstrate the versatility and flexibility of the presented design tools, as well as validate their modeling framework, several design challenges were completed. These case studies include the design and development of an active hinge for the deployment of a solar array or foldable space structure, an adaptive solar array deployment and positioning system, a passive air temperature controller for regulation flow temperatures inside of a jet engine, and a redesign of the Corvette active hatch, which allows for pressure equalization of the car interior. For each of the presented case studies, a prototype or proof-of-concept was fabricated and the experimental results and lessons learned are discussed. This analysis presents a collection of CASMART collaborative best practices in order to allow readers to utilize the available design tools and understand their modeling principles. These design tools, which are based on engineering models, can provide first-order optimal designs and are a basic and efficient method for either demonstrating design feasibility or refining design parameters. Although the design and integration of an SMA-based actuation system always requires application- and environment-specific engineering considerations, common modeling tools can significantly reduce the investment required for actuation system development and provide valuable engineering insight.

Design tools↗

NASA NTRS1992

The role of under-determined approximations in engineering and science application

There is currently a great deal of interest in using response surfaces in the optimization of aircraft performance. The objective function and/or constraint equations involved in these optimization problems may come from numerous disciplines such as structures, aerodynamics, environmental engineering, etc. In each of these disciplines, the mathematical complexity of the governing equations usually dictates that numerical results be obtained from large computer programs such as a finite element method program. Thus, when performing optimization studies, response surfaces are a convenient way of transferring information from the various disciplines to the optimization algorithm as opposed to bringing all the sundry computer programs together in a massive computer code. Response surfaces offer another advantage in the optimization of aircraft structures. A characteristic of these types of optimization problems is that evaluation of the objective function and response equations (referred to as a functional evaluation) can be very expensive in a computational sense. Because of the computational expense in obtaining functional evaluations, the present study was undertaken to investigate under-determinined approximations. An under-determined approximation is one in which there are fewer training pairs (pieces of information about a function) than there are undetermined parameters (coefficients or weights) associated with the approximation. Both polynomial approximations and neural net approximations were examined. Three main example problems were investigated: (1) a function of one design variable was considered; (2) a function of two design variables was considered; and (3) a 35 bar truss with 4 design variables was considered.

Carpenter, William C.↗

DOE OSTI2025

Automation and machine learning drive rapid optimization of isoprenol production in Pseudomonas putida

Advances in genome engineering have improved our ability to perturb microbial metabolic networks, yet bioproduction campaigns often struggle with parsing complex metabolic datasets to efficiently enhance product titers. We address this challenge by coupling laboratory automation with machine learning to systematically optimize the production of isoprenol, a sustainable aviation fuel precursor, in Pseudomonas putida. The simultaneous downregulation through CRISPR interference of combinations of up to four gene targets, guided by machine learning, permitted us to increase isoprenol titer 5-fold in six consecutive design-build-test-learn cycles. Moreover, machine learning enabled us to swiftly explore a vast experimental design space of 800,000 possible combinations by strategically recommending approximately 400 priority constructs. High-throughput proteomics allowed us to validate CRISPRi downregulation and identify biological mechanisms driving production increases. Our work demonstrates that ML-driven automated design-build-test-learn cycles, when combined with rigorous data validation, can rapidly enhance titers without specific biological knowledge, suggesting that it can be applied to any host, product, or pathway.

Carruthers, David N↗

DOE OSTI2025

Engineered enzymatic cascade converts diols to amino alcohols

Aliphatic amino alcohols such as 6-amino-1-hexanol are potential platform chemicals for a variety of advanced materials, but applications are currently limited by reagent costs. Aliphatic amino alcohols can currently be synthesized from biomass-derived diols at elevated temperatures and pressures using Ru-based catalysts that produce a mixture of amino-alcohol, diamine, and cyclic amine products. Replacing chemical amination with an enzymatic cascade would reduce resource needs and enable reactions under milder conditions. In this work, we characterized a two-enzyme cascade that selectively converts C4–C7 diols to the corresponding amino alcohols under aqueous conditions at room temperature and pressure. By engineering the rate-limiting enzyme and optimizing reaction conditions, we increased amino alcohol production nearly 30-fold, achieving a selectivity of 99%. The same enzyme cascade could also be used to convert amino alcohols into cyclic amines through reduction of the corresponding cyclic imine. This engineered cascade provides a green opportunity to sustainably synthesize asymmetric bifunctional platform chemicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1989

A real-time guidance algorithm for aerospace plane optimal ascent to low earth orbit

Problems of onboard trajectory optimization and synthesis of suitable guidance laws for ascent to low Earth orbit of an air-breathing, single-stage-to-orbit vehicle are addressed. A multimode propulsion system is assumed which incorporates turbojet, ramjet, Scramjet, and rocket engines. An algorithm for generating fuel-optimal climb profiles is presented. This algorithm results from the application of the minimum principle to a low-order dynamic model that includes angle-of-attack effects and the normal component of thrust. Maximum dynamic pressure and maximum aerodynamic heating rate constraints are considered. Switching conditions are derived which, under appropriate assumptions, govern optimal transition from one propulsion mode to another. A nonlinear transformation technique is employed to derived a feedback controller for tracking the computed trajectory. Numerical results illustrate the nature of the resulting fuel-optimal climb paths.

Calise, A. J.↗

NASA NTRS1992

Thrust stand evaluation of engine performance improvement algorithms in an F-15 airplane

Results are presented from the evaluation of the performance seeking control (PSC) optimization algorithm developed by Smith et al. (1990) for F-15 aircraft, which optimizes the quasi-steady-state performance of an F100 derivative turbofan engine for several modes of operation. The PSC algorithm uses onboard software engine model that calculates thrust, stall margin, and other unmeasured variables for use in the optimization. Comparisons are presented between the load cell measurements, PSC onboard model thrust calculations, and posttest state variable model computations. Actual performance improvements using the PSC algorithm are presented for its various modes. The results of using PSC algorithm are compared with similar test case results using the HIDEC algorithm.

Conners, Timothy R.↗

NASA NTRS1995

Aerospace applications of integer and combinatorial optimization

Research supported by NASA Langley Research Center includes many applications of aerospace design optimization and is conducted by teams of applied mathematicians and aerospace engineers. This paper investigates the benefits from this combined expertise in solving combinatorial optimization problems. Applications range from the design of large space antennas to interior noise control. A typical problem, for example, seeks the optimal locations for vibration-damping devices on a large space structure and is expressed as a mixed/integer linear programming problem with more than 1500 design variables.

Padula, S. L.↗

NASA NTRS2002

Virtually Out of This World!

Ames Research Center granted Reality Capture Technologies (RCT), Inc., a license to further develop NASA's Mars Map software platform. The company incorporated NASA#s innovation into software that uses the Virtual Plant Model (VPM)(TM) to structure, modify, and implement the construction sites of industrial facilities, as well as develop, validate, and train operators on procedures. The VPM orchestrates the exchange of information between engineering, production, and business transaction systems. This enables users to simulate, control, and optimize work processes while increasing the reliability of critical business decisions. Engineers can complete the construction process and test various aspects of it in virtual reality before building the actual structure. With virtual access to and simulation of the construction site, project personnel can manage, access control, and respond to changes on complex constructions more effectively. Engineers can also create operating procedures, training, and documentation. Virtual Plant Model(TM) is a trademark of Reality Capture Technologies, Inc.

Source record↗

NASA NTRS2005

Intelligent Life-Extending Controls for Aircraft Engines

Aircraft engine controllers are designed and operated to provide desired performance and stability margins. The purpose of life-extending-control (LEC) is to study the relationship between control action and engine component life usage, and to design an intelligent control algorithm to provide proper trade-offs between performance and engine life usage. The benefit of this approach is that it is expected to maintain safety while minimizing the overall operating costs. With the advances of computer technology, engine operation models, and damage physics, it is necessary to reevaluate the control strategy fro overall operating cost consideration. This paper uses the thermo-mechanical fatigue (TMF) of a critical component to demonstrate how an intelligent engine control algorithm can drastically reduce the engine life usage with minimum sacrifice in performance. A Monte Carlo simulation is also performed to evaluate the likely engine damage accumulation under various operating conditions. The simulation results show that an optimized acceleration schedule can provide a significant life saving in selected engine components.

Guo, Ten-Huei↗