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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Woody Plant Transformation: Current Status, Challenges, and Future Perspectives

Woody plants, comprising forest and fruit tree species, provide essential ecological and economic benefits to society. Their genetic improvement is challenging due to long generation intervals and high heterozygosity. Genetic transformation, which combines targeted DNA delivery with plant regeneration from transformed cells, offers a powerful alternative to accelerating their domestication and improvement. Agrobacterium tumefaciens, Rhizobium rhizogenes, and particle bombardment have been widely used for DNA delivery into a wide variety of explants, including leaves, stems, hypocotyls, roots, and embryos, with regeneration occurring via direct organogenesis, callus-mediated organogenesis, somatic embryogenesis, or hairy root formation. Despite successes, conventional approaches are hampered by low efficiency, genotype dependency, and a reliance on challenging tissue culture. This review provides a critical analysis of the current landscape in woody plant transformation, moving beyond a simple summary of techniques to evaluate the co-evolution of established platforms with disruptive technologies. Key advances among these include the use of developmental regulators to engineer regeneration, the rise in in planta systems to bypass tissue culture, and the imperative for DNA-free genome editing to meet regulatory and public expectations. By examining species-specific breakthroughs in key genera, including Populus, Malus, Citrus, and Pinus, this review highlights a paradigm shift from empirical optimization towards rational, predictable engineering of woody plants for a sustainable future.

Agrobacterium tumefaciens↗
NASA NTRS2012

Constructing an Efficient Self-Tuning Aircraft Engine Model for Control and Health Management Applications

Self-tuning aircraft engine models can be applied for control and health management applications. The self-tuning feature of these models minimizes the mismatch between any given engine and the underlying engineering model describing an engine family. This paper provides details of the construction of a self-tuning engine model centered on a piecewise linear Kalman filter design. Starting from a nonlinear transient aerothermal model, a piecewise linear representation is first extracted. The linearization procedure creates a database of trim vectors and state-space matrices that are subsequently scheduled for interpolation based on engine operating point. A series of steady-state Kalman gains can next be constructed from a reduced-order form of the piecewise linear model. Reduction of the piecewise linear model to an observable dimension with respect to available sensed engine measurements can be achieved using either a subset or an optimal linear combination of "health" parameters, which describe engine performance. The resulting piecewise linear Kalman filter is then implemented for faster-than-real-time processing of sensed engine measurements, generating outputs appropriate for trending engine performance, estimating both measured and unmeasured parameters for control purposes, and performing on-board gas-path fault diagnostics. Computational efficiency is achieved by designing multidimensional interpolation algorithms that exploit the shared scheduling of multiple trim vectors and system matrices. An example application illustrates the accuracy of a self-tuning piecewise linear Kalman filter model when applied to a nonlinear turbofan engine simulation. Additional discussions focus on the issue of transient response accuracy and the advantages of a piecewise linear Kalman filter in the context of validation and verification. The techniques described provide a framework for constructing efficient self-tuning aircraft engine models from complex nonlinear simulations.Self-tuning aircraft engine models can be applied for control and health management applications. The self-tuning feature of these models minimizes the mismatch between any given engine and the underlying engineering model describing an engine family. This paper provides details of the construction of a self-tuning engine model centered on a piecewise linear Kalman filter design. Starting from a nonlinear transient aerothermal model, a piecewise linear representation is first extracted. The linearization procedure creates a database of trim vectors and state-space matrices that are subsequently scheduled for interpolation based on engine operating point. A series of steady-state Kalman gains can next be constructed from a reduced-order form of the piecewise linear model. Reduction of the piecewise linear model to an observable dimension with respect to available sensed engine measurements can be achieved using either a subset or an optimal linear combination of "health" parameters, which describe engine performance. The resulting piecewise linear Kalman filter is then implemented for faster-than-real-time processing of sensed engine measurements, generating outputs appropriate for trending engine performance, estimating both measured and unmeasured parameters for control purposes, and performing on-board gas-path fault diagnostics. Computational efficiency is achieved by designing multidimensional interpolation algorithms that exploit the shared scheduling of multiple trim vectors and system matrices. An example application illustrates the accuracy of a self-tuning piecewise linear Kalman filter model when applied to a nonlinear turbofan engine simulation. Additional discussions focus on the issue of transient response accuracy and the advantages of a piecewise linear Kalman filter in the context of validation and verification. The techniques described provide a framework for constructing efficient self-tuning aircraft engine models from complex nonlinear simulatns.

Armstrong, Jeffrey B.↗
DOE OSTI2024

Prompt Phrase Ordering Using Large Language Models in HPC: Evaluating Prompt Sensitivity

Large language models (LLMs) have demonstrated effective performance in domain-specific tasks, often requiring a well-designed prompt to guide their responses. However, optimizing the right prompt is challenging due to prompt sensitivity—the phenomenon where small changes in the prompt can lead to significant variations in performance. In this study, we evaluate prompt performance by examining all permutations of independent phrases to investigate prompt sensitivity and robustness. We used two datasets: the GSM8k dataset, which assesses mathematical reasoning, and a custom template prompt for summarizing database metadata. Our goal was to evaluate the performance across all permutations of a sequence of prompt phrases. The study was conducted using the llama3-instruct- 7B model hosted on Ollama, with computations parallelized in a high-performance computing environment. By comparing the average index of phrases in the best and worst-performing prompts, we found that the order of independent phrases within a prompt significantly impacts LLM performance. Additionally, we used Hamming distance to assess changes between phrase orderings, concluding that prompt modifications can dramatically affect scores, often by almost random chance. These findings support existing research on prompt sensitivity. We discuss the challenges of prompt optimization, noting that altering phrases in a successful prompt does not always result in another successful prompt.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Generalized optimization-based synthesis of membrane systems for multicomponent gas mixture separation

Synthesizing a membrane system to separate multicomponent gas mixture is challenging due to the combinatorial number of feasible configurations and the difficulties in describing the multicomponent permeators. Here we present a mixed-integer nonlinear programming (MINLP) model for synthesizing membrane systems for multicomponent gas mixture separation. The approach employs a richly connected superstructure to represent numerous potential system configurations, and different physics-based surrogate permeator models, such as countercurrent flow or crossflow, to be used in each stage. Moreover, to describe realistic systems, pressure drop equations can be included. We also present solution methods to accelerate the solution process. Through a case study of natural gas sweetening, we demonstrate that the proposed approach is able to obtain good solutions using an off-the-shelf global optimization solver. Finally, we expand the conventional membrane system synthesis problem by introducing feed variability in our model through a case study of an integrated reactor-separation system.

42 ENGINEERING↗
DOE OSTI2022

Improving convergence of the Matrix Power Control Algorithm for random vibration testing

Herein, this paper describes modifications to the Matrix Power Control Algorithm (MPCA) to improve convergence for Random Vibration Control (RVC) testing. In particular, this paper presents Multiple-Input Multiple-Output (MIMO) implementations of MPCA in simulation and experiment. An Euler–Bernoulli beam model was simulated with applied base excitations and the Box Assembly with Removable Component (BARC) was used in experiment to validate results. The Bayesian optimization package Dragonfly was used to optimize control parameters. Additionally, a moving-average was employed and optimized to improve the measured response feedback for MPCA, reduce the number of averages needed to be taken between control updates, and further improve convergence. The key results of this paper show that the performance of MPCA can be improved by tuning the control parameters and by applying an optimized moving-average. Furthermore, it is demonstrated that convergence can be achieved within 12 drive-frames, which greatly enhances vibration control capability.

42 ENGINEERING↗
DOE OSTI2021

The IDAES process modeling framework and model library—Flexibility for process simulation and optimization

Abstract Energy systems and manufacturing processes of the 21st century are becoming increasingly dynamic and interconnected, which require new capabilities to effectively model and optimize their design and operations. Such next generation computational tools must leverage state‐of‐the‐art techniques in optimization and be able to rapidly incorporate new advances. To address these requirements, we have developed the Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform, which builds on the strengths of both process simulators (model libraries) and algebraic modeling languages (advanced solvers). This paper specifically presents the IDAES Core Modeling Framework (IDAES‐CMF), along with a case study demonstrating the application of the framework to solve process optimization problems. Capabilities provided by this framework include a flexible, modifiable, open‐source platform for optimization of process flowsheets utilizing state‐of‐the‐art solvers and solution techniques, fully open and extensible libraries of dynamic unit operations models and thermophysical property models, and integrated support for superstructure‐based conceptual design and optimization under uncertainty.

42 ENGINEERING↗
DOE OSTI2025

Quantum approximate multi-objective optimization

The goal of multi-objective optimization is to understand optimal trade-offs between competing objective functions by finding the Pareto front, that is, the set of all Pareto-optimal solutions, where no objective can be improved without degrading another one. Multi-objective optimization can be challenging classically, even if the corresponding single-objective optimization problems are efficiently solvable. Thus, multi-objective optimization represents a compelling problem class to analyze with quantum computers. Here we use a low-depth quantum approximate optimization algorithm to approximate the optimal Pareto front of certain multi-objective weighted maximum-cut problems. We demonstrate its performance on an IBM Quantum computer, as well as with matrix product state numerical simulation, and show its potential to outperform classical approaches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1981

Cooled variable nozzle radial turbine for rotor craft applications

An advanced, small 2.27 kb/sec (5 lbs/sec), high temperature, variable area radial turbine was studied for a rotor craft application. Variable capacity cycles including single-shaft and free-turbine engine configurations were analyzed to define an optimum engine design configuration. Parametric optimizations were made on cooled and uncooled rotor configurations. A detailed structural and heat transfer analysis was conducted to provide a 4000-hour life HP turbine with material properties of the 1988 time frame. A pivoted vane and a moveable sidewall geometry were analyzed. Cooling and variable geometry penalties were included in the cycle analysis. A variable geometry free-turbine engine configuration with a design 1477K (2200 F) inlet temperature and a compressor pressure ratio of 16:1 was selected. An uncooled HP radial turbine rotor with a moveable sidewall nozzle showed the highest performance potential for a time weighted duty cycle.

Rogo, C.↗
DOE OSTI2021

AN AUTOMATED MACHINE LEARNING-GENETIC ALGORITHM FRAMEWORK WITH ACTIVE LEARNING FOR DESIGN OPTIMIZATION

The use of machine learning (ML)-based surrogate models is a promising technique to significantly accelerate simulation-driven design optimization of internal combustion (IC) engines, due to the high computational cost of running computational fluid dynamics (CFD) simulations. However, training the ML models requires hyperparameter selection, which is often done using trial-and-error and domain expertise. Another challenge is that the data required to train these models are often unknown a priori. In this work, we present an automated hyperparameter selection technique coupled with an active learning approach to address these challenges. The technique presented in this study involves the use of a Bayesian approach to optimize the hyperparameters of the base learners that make up a super learner model. In addition to performing hyperparameter optimization (HPO), an active learning approach is employed, where the process of data generation using simulations, ML training, and surrogate optimization is performed repeatedly to refine the solution in the vicinity of the predicted optimum. The proposed approach is applied to the optimization of a compression ignition engine with control parameters relating to fuel injection, in-cylinder flow, and thermodynamic conditions. It is demonstrated that by automatically selecting the best values of the hyperparameters, a 1.6% improvement in merit value is obtained, compared to an improvement of 1.0% with default hyperparameters. Overall, the framework introduced in this study reduces the need for technical expertise in training ML models for optimization while also reducing the number of simulations needed for performing surrogate-based design optimization.

Owoyele, Opeoluwa↗
DOE OSTI2022

Anisotropic Thermally Conductive Composites Enabled by Acoustophoresis and Stereolithography

Opportunities to improve thermal management in electronic devices are currently hindered by processing constraints that limit thermal conductivity in polymer-matrix composites. Active patterning of filler particles is a promising route to improve conductivity while retaining processability by improving particle contact density and directing heat along optimized pathways. Here, we employ acoustic patterning to align and compact filler particles into stripes during stereolithographic 3D printing. This approach produces polymer-based composite materials with highly efficient embedded heat transport pathways which reach 95 vol% particle utilization (relative to the parallel conduction upper limit). These composites exhibit anisotropic thermal conductivity up to 300% higher than unpatterned composites, with in-plane anisotropy ratios of up to 350%. Combining this high conductivity with 3D printing enables materials with engineered heat networks that optimize transport from hot spots to heatsinks while maintaining low viscosity for fast particle patterning and for infiltration around electronic components. Finally, numerical simulations of acoustic assembly of particles with varied geometry, when compared to experimentally characterized particle packing, illuminate pathways for further improving conductivity by optimizing particle geometry for alignment and stacking of particles with maximum contact surface area.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Virtual Engineering: Python framework for engineering process design

Virtual Engineering (VE) is a Python software framework designed to accelerate the research and development of engineering processes that are fundamentally defined by multiple unit operations executed in series. VE supports a wide variety of different multi-physics models and integrates them to simulate a complete end-to-end process. To automate the execution of this model sequence, VE provides (i) a robust method to communicate between models, (ii) a high-level, user-friendly interface to set model parameters and enable optimization, and (iii) an overall model-agnostic approach that allows new computational units to be swapped in and out of workflows. Although the VE framework was developed to support the biochemical conversion of biomass to fuel, we have designed each component to easily accommodate new domains and unit models.

09 BIOMASS FUELS↗
NASA NTRS1999

CIAM/NASA Mach 6.5 Scramjet Flight and Ground Test

The Russian Central Institute of Aviation Motors (CIAM) performed a flight test of a CIAM-designed, hydrogen-cooled/fueled dual-mode scramjet engine over a Mach number range of approximately 3.5 to 6.4 on February 12, 1998, at the Sary Shagan test range in Kazakhstan. This rocket-boosted, captive-carry test of the axisymmetric engine reached the highest Mach number of any scramjet engine flight test to date. The flight test and the accompanying ground test program, conducted in a CIAM test facility near Moscow, were performed under a NASA contract administered by the Dryden Flight Research Center with technical assistance from the Langley Research Center. Analysis of the flight and ground data by both CIAM and NASA resulted in the following preliminary conclusions. An unexpected control sensor reading caused non-optimal fueling of the engine, and flowpath modifications added to the engine inlet during manufacture caused markedly reduced inlet performance. Both of these factors appear to have contributed to the dual-mode scramjet engine operating primarily in a subsonic combustion mode. At the maximum Mach number test point, combustion caused transition from supersonic flow at the fuel injector station to primarily subsonic flow in the combustor. Ground test data were obtained at similar conditions to the flight test, allowing for a meaningful comparison between the ground and flight data. The results of this comparison indicate that the differences in engine performance are small.

Voland, R. T.↗
DOE OSTI2021

Identification and characterization of proteins of unknown function (PUFs) in Clostridium thermocellum DSM 1313 strains as potential genetic engineering targets

Abstract Background Mass spectrometry-based proteomics can identify and quantify thousands of proteins from individual microbial species, but a significant percentage of these proteins are unannotated and hence classified as proteins of unknown function (PUFs). Due to the difficulty in extracting meaningful metabolic information, PUFs are often overlooked or discarded during data analysis, even though they might be critically important in functional activities, in particular for metabolic engineering research. Results We optimized and employed a pipeline integrating various “guilt-by-association” (GBA) metrics, including differential expression and co-expression analyses of high-throughput mass spectrometry proteome data and phylogenetic coevolution analysis, and sequence homology-based approaches to determine putative functions for PUFs in Clostridium thermocellum . Our various analyses provided putative functional information for over 95% of the PUFs detected by mass spectrometry in a wild-type and/or an engineered strain of C. thermocellum . In particular, we validated a predicted acyltransferase PUF (WP_003519433.1) with functional activity towards 2-phenylethyl alcohol, consistent with our GBA and sequence homology-based predictions. Conclusions This work demonstrates the value of leveraging sequence homology-based annotations with empirical evidence based on the concept of GBA to broadly predict putative functions for PUFs, opening avenues to further interrogation via targeted experiments.

09 BIOMASS FUELS↗
DOE OSTI2022

Physics makes the difference: Bayesian optimization and active learning via augmented Gaussian process

Abstract Both experimental and computational methods for the exploration of structure, functionality, and properties of materials often necessitate the search across broad parameter spaces to discover optimal experimental conditions and regions of interest in the image space or parameter space of computational models. The direct grid search of the parameter space tends to be extremely time-consuming, leading to the development of strategies balancing exploration of unknown parameter spaces and exploitation towards required performance metrics. However, classical Bayesian optimization (BO) strategies based on the Gaussian process (GP) do not readily allow for the incorporation of the known physical behaviors or past knowledge. Here we explore a hybrid optimization/exploration algorithm created by augmenting the standard GP with a structured probabilistic model of the expected system’s behavior. This approach balances the flexibility of the non-parametric GP approach with a rigid structure of physical knowledge encoded into the parametric model. The fully Bayesian treatment of the latter allows additional control over the optimization via the selection of priors for the model parameters. The method is demonstrated for a noisy version of a standard univariate test function used to evaluate optimization algorithms and further extended to physical lattice models. This methodology is expected to be universally suitable for injecting prior knowledge in the form of physical models and past data in the BO framework.

42 ENGINEERING↗
NASA NTRS1986

Numerical difficulties associated with using equality constraints to achieve multi-level decomposition in structural optimization

There has been recent interest in multidisciplinary multilevel optimization applied to large engineering systems. The usual approach is to divide the system into a hierarchy of subsystems with ever increasing detail in the analysis focus. Equality constraints are usually placed on various design quantities at every successive level to ensure consistency between levels. In many previous applications these equality constraints were eliminated by reducing the number of design variables. In complex systems this may not be possible and these equality constraints may have to be retained in the optimization process. In this paper the impact of such a retention is examined for a simple portal frame problem. It is shown that the equality constraints introduce numerical difficulties, and that the numerical solution becomes very sensitive to optimization parameters for a wide range of optimization algorithms.

Thareja, R.↗
NASA NTRS1980

Road map to adaptive optimal control

A building block control structure leading toward adaptive, optimal control for jet engines is developed. This approach simplifies the addition of new features and allows for easier checkout of the control by providing a baseline system for comparison. Also, it is possible to eliminate certain features that do not have payoff by being selective in the addition of new building blocks to be added to the baseline system. The minimum risk approach specifically addresses the need for active identification of the plant to be controlled in real time and real time optimization of the control for the identified plant.

Boyer, R.↗
DOE OSTI2021

A Multi-Objective Bayesian Optimization Approach Using the Weighted Tchebycheff Method

Abstract Bayesian optimization (BO) is a low-cost global optimization tool for expensive black-box objective functions, where we learn from prior evaluated designs, update a posterior surrogate Gaussian process model, and select new designs for future evaluation using an acquisition function. This research focuses upon developing a BO model with multiple black-box objective functions. In the standard multi-objective (MO) optimization problem, the weighted Tchebycheff method is efficiently used to find both convex and non-convex Pareto frontiers. This approach requires knowledge of utopia values before we start optimization. However, in the BO framework, since the functions are expensive to evaluate, it is very expensive to obtain the utopia values as a prior knowledge. Therefore, in this paper, we develop a MO-BO framework where we calibrate with multiple linear regression (MLR) models to estimate the utopia value for each objective as a function of design input variables; the models are updated iteratively with sampled training data from the proposed MO-BO. These iteratively estimated mean utopia values are used to formulate the weighted Tchebycheff MO acquisition function. The proposed approach is implemented in two numerical test examples and one engineering design problem of optimizing thin tube geometries under constant loading of temperature and pressure, with minimizing the risk of creep-fatigue failure and design cost, along with risk-based and manufacturing constraints. Finally, the model accuracy with frequentist, Bayesian and without MLR-based calibration are compared to true Pareto solutions.

Engineering↗
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↗