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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Evaluation of Horizon of Viability Optimization Engine for Sustained Power to Critical Infrastructure: Preprint

In the aftermath of increasingly frequent catastrophic events, a typical scenario is Critical Infrastructure (CI) units being supported by available backup sources with a weak power grid that can be intermittent or absent. Such a scenario is significantly challenging in the sense of reliable supply of power to CI units. In this article, an intelligent optimization scheme termed as Horizon of Viability (HoV) engine is developed to guarantee the viability of a sustained reliable supply of power to the CI units over a time-horizon. The proposed HoV engine generates a cost-optimal portfolio of the locally available generation sources and the loads over a time horizon using a mixed-integer convex programming problem. A Controller hardware-in-the-loop (CHIL) platform is developed to evaluate the control performance of the HoV engine. The experimental results corroborates the efficacy in maintaining the viability of the CI units after a grid interruption event. Further, the proposed HoV optimization scheme performs better compared to existing net-load management schemes in the literature.

disaster resiliency↗
DOE OSTI2023

Utilizing data-based modeling with low life cycle GHG emissions algae biofuels for engine optimization

Aquatic microalgae are a highly promising feedstock for the production of biocrude and tailored biofuels, with distinct advantages over traditional terrestrial crops, such as reduced land use and avoidance of food production competition. However, unlocking their full potential requires the development of biofuels with low life cycle greenhouse emissions biofuels, such as algae biofuels, which can significantly reduce the environmental impact of the transportation systems without requiring a complete overhaul of existing engine technology. In this study, we employ cutting-edge data-based AI modeling techniques to optimize the performance of heavy-duty engines, with a focus on transitioning towards biofuels with low life cycle greenhouse emissions biofuels. Our methodology offers significant advantages over traditional sweep testing, enabling efficient and accurate optimization of engine performance with minimal time and resources consumption. Our findings demonstrate the potential of utilizing this approach, with up to 55% NOx emissions reductions and up to 2% reduction in fuel consumption compared to the baseline optimized point. Moving forward, we plan to utilize a 30% blend of algae biofuels with diesel fuel, with the ultimate goal of achieving up to 60% lifecycle GHG emissions. Lastly, we plan to compare the results with 100% renewable biodiesel to add an additional dimension of investigating the impact of fuel chemistry on engine optimization. Overall, this study underscores the vital importance of biofuels for reducing the carbon footprint of the transportation sector and supporting a sustainable future. By harnessing the power of data-based AI modeling with low life cycle greenhouse emissions biofuels, we can accelerate the adoption of more environmentally friendly transportation systems and reduce their impact on the planet. Our findings contribute to this transition and offer insights for developing efficient and effective strategies for addressing global climate change.

09 BIOMASS FUELS↗
DOE OSTI2026

Development of a coupled experimental–computational approach for engineering optimization of spout-fluidized bed particle coating systems

The design of spout-fluidized bed (SFB) coating systems for nuclear particle fuels typically relies on trial-and-error processes, comprising iterative and time-consuming coating deposition experiments and post-deposition characterization. At an engineering scale, this approach to guided SFB system design is inefficient, highlighting the need for streamlined experimental methodologies which can correlate fluidization conditions to downstream coating outcomes. In this study, we combine time-resolved particle image velocimetry (PIV) with CFD–DEM simulations to benchmark hydrodynamic behavior in a 3D spout-fluidized bed. By exploiting easily accessible optical measurements of particle motion at the bed wall and within the spouting region, we obtain quantitative velocity fields that can be directly compared with model predictions of the occluded bed region, without resorting to complex imaging and characterization techniques such as X-ray or magnetic resonance tomography. Experimental benchmarking reveals strong agreement between CFD–DEM and PIV in the spout and annulus regions, while discrepancies near the wall highlight areas for future model development. Here, the proposed integrated experimental–numerical framework will enable a direct connection between measured variables and numerically predicted fluidization performance of dense, surrogate nuclear particle fuel feedstock such that experimental SFB component design can be rapidly evaluated, informing design decisions for nozzle geometry and operating conditions. Future work will extend this framework by correlating quantified fluidization metrics across nozzle geometries and operating conditions with the resulting coating morphology, microstructure, and uniformity. Establishing these correlations will enable predictive links between hydrodynamic performance and coating quality, providing a rational, scalable basis for optimizing SFB design prior to coating deposition.

CFD/DEM↗
DOE OSTI2024

Potential Adoption and Benefits of Co-Optimized Multimode Engines and Fuels for U.S. Light-Duty Vehicles

Exploring a diverse portfolio of technologies for decarbonization is crucial to understanding the potential impacts of different technological solutions and their associated environmental implications. Using high-octane, high-sensitivity biofuel blends in co-optimized multimode engines can increase engine efficiency and reduce vehicle emissions. Here, the multimode engine research focuses on the benefits of light-duty vehicle engines, which can operate in multiple modes depending on the vehicle's load. Low-temperature combustion can improve efficiency and reduce emissions (such as those from oxides of nitrogen and particulate matter) during low-load operation, while spark ignition performance is maintained in high-load operation. These advanced engines can be optimized to run on blends of biobased fuels. This analysis models scenarios for potential market adoption of co-optimized multimode vehicles fueled by three different bioblendstocks: ethanol, isopropanol, and isobutanol. An integrated modeling approach is used to forecast the energy and environmental impacts of the deployment of co-optimized multimode vehicles and fuels in the light-duty sector over the 2020-to-2050 time horizon. The multidisciplinary approach combines vehicle sales modeling, system dynamics modeling of the biorefining industry, and life cycle assessment to estimate the emissions and energy benefits. The models consider market forces such as consumer preferences for vehicle attributes, biofuel supply and demand dynamics subject to biorefinery capacity build-out and bioresource constraints, and forecasted changes to the U.S. bulk energy system over time. Market adoption of co-optimized vehicles is evaluated across a wide parameter space for incremental vehicle cost and engine efficiency improvement. This analysis reveals that the deployment of co-optimized multimode fuels and vehicles results in up to a 5% reduction in annual sector-wide life cycle greenhouse gas (GHG) emissions by 2050, relative to a business-as-usual scenario, but is also indicates environmental trade-offs, such as higher life cycle water-use. Emission benefits could potentially increase beyond 2050, as the new technologies penetrate the market and gain a foothold. Results also show that, under certain circumstances, vehicles with engines co-optimized for use with high-octane, high-sensitivity biofuel blends can be cost-competitive with conventional gasoline, while reducing GHG emissions. Our modeling results indicate that co-optimized multimode fuels and engines can be strategically leveraged in tandem with electrification to decarbonize the light-duty sector. Co-optimized vehicles could play a role in the early years of the time horizon, while electric vehicles (EVs) could become more competitive in the later years, highlighting the complementary benefits of these technologies for GHG reductions.

Oke, Doris↗
DOE OSTI2024

Dispatch Optimization Variable Engine

The Dispatch Optimization Variable Engine (DOVE) is software tool written in python, developed at Idaho National Laboratory (INL) that provides an easily accessible application-programming-interface (API) to performing resource dispatch optimization analysis for integrated energy system (IES) configurations. DOVE is an integral part of the Framework for Optimization of Resources and Economics (FORCE) software suite and is leveraged by codes such as the Holistic Energy Resource Optimization Network (HERON) and the Optimization of Real-Time Capacity Allocation (ORCA). The philosophy behind DOVE is to provide a modular software solution to IES planning and operation by utilizing state-of-the-art algorithms and machine learning. The goal is to accurately capture the dispatching behavior of a complex energy system given varying time-dependent signals for demand and commodity pricing.

McDowell, DylanJ. [Idaho National Laboratory (INL)↗
DOE OSTI2021

Cycle-to-cycle variability in spark-assisted compression ignition engines near optimal mean combustion phasing

Stoichiometric spark-assisted compression ignition (SACI) combustion with exhaust gas recirculation (EGR) dilution has demonstrated higher part-load thermal efficiencies compared to spark-ignited engines, while maintaining ultra-low tailpipe emissions. However, SACI is often characterized by high cyclic variability in heat release or torque output, which poses a challenge to its implementation in light-duty vehicles. This paper presents an experimental investigation of cyclic variability in stoichiometric SACI combustion under EGR-dilute conditions, while maintaining mean combustion phasing (θ 50 ) near optimal timing for thermal efficiency. The present work focuses on SACI conditions where the flame-based heat release fraction is between approximately 10% and 40% of the overall heat release, and therefore contributes significantly to the combustion process. For the SACI conditions examined, the variability in θ 50 was driven by variability in autoignition timing, which in turn correlated with the start of measurable heat release (θ 02 ). High variability in θ 50 caused unstable work output due to very late combustion with poor or no end-gas autoignition. The use of a high ignition energy dual-coil offset ignition system had negligible impact in reducing θ 50 variability. Analysis of experimental data from close to 1000 operating conditions showed that the magnitude of θ 50 variability correlates with the flame-based heat release fraction ([Formula: see text]), for a large range of intake pressures, spark timings and exhaust gas recirculation levels. For the SACI conditions examined, combustion phasing variability was largely determined by flame-based combustion and particularly the initial flame formation (θ IGN-02 ), and minimally by the end-gas autoignition heat release. The analysis also demonstrated that θ 50 variability is amplified as the contribution of the flame to the overall heat release increases.

Engineering↗
DOE OSTI2021

Application of an automated machine learning-genetic algorithm (AutoML-GA) coupled with computational fluid dynamics simulations for rapid engine design optimization

In recent years, the use of machine learning-based surrogate models for computational fluid dynamics (CFD) simulations has emerged as a promising technique for reducing the computational cost associated with engine design optimization. However, such methods still suffer from drawbacks. One main disadvantage is that the default machine learning (ML) hyperparameters are often severely suboptimal for a given problem. This has often been addressed by manually trying out different hyperparameter settings, but this solution is ineffective in case of a high-dimensional hyperparameter space. Besides this problem, the amount of data needed for training is also not known a priori. In response to these issues that need to be addressed, the present work describes and validates an automated active learning approach, AutoML-GA, for surrogate-based optimization of internal combustion engines. In this approach, a Bayesian optimization technique is used to find the best machine learning hyperparameters based on an initial dataset obtained from a small number of CFD simulations. Subsequently, a genetic algorithm is employed to locate the design optimum on the ML surrogate surface. In the vicinity of the design optimum, the solution is refined by repeatedly running CFD simulations at the projected optima and adding the newly obtained data to the training dataset. It is demonstrated that AutoML-GA leads to a better optimum with a lower number of CFD simulations, compared to the use of default hyperparameters. The proposed framework offers the advantage of being a more hands-off approach that can be readily utilized by researchers and engineers in industry who do not have extensive machine learning expertise.

Owoyele, Opeoluwa↗
DOE OSTI2023

Linear model decision trees as surrogates in optimization of engineering applications

Machine learning models are promising as surrogates in optimization when replacing difficult to solve equations or black-box type models. This work demonstrates the viability of linear model decision trees as piecewise-linear surrogates in decision-making problems. Linear model decision trees can be represented exactly in mixed-integer linear programming (MILP) and mixed-integer quadratic constrained programming (MIQCP) formulations. Furthermore, they can represent discontinuous functions, bringing advantages over neural networks in some cases. We present several formulations using transformations from Generalized Disjunctive Programming (GDP) formulations and modifications of MILP formulations for gradient boosted decision trees (GBDT). We then compare the computational performance of these different MILP and MIQCP representations in an optimization problem and illustrate their use on engineering applications. Importantly, we observe faster solution times for optimization problems with linear model decision tree surrogates when compared with GBDT surrogates using the Optimization and Machine Learning Toolkit (OMLT).

42 ENGINEERING↗
DOE OSTI2021

IEA Wind Energy Task 37 - System Engineering - Aerodynamic Optimization Case Study

This paper presents the results from the first IEA Wind Task 37 aerodynamic optimization case study. 8 participants applied their optimization tools to a purely aerodynamic problem and the results were compared. Overall, the different tools produced widely different designs, while there was better agreement in the improvement achieved. This highlights the fact that further investigation is needed to try to understand these differences and develop best practices. There were too many differences between the different analysis and optimization codes to determine the sources of these differences. However, several potential sources of discrepancy were identified for further investigation. One hypothesis is that one potential source of discrepancy is that the design problem itself is relatively flat in design directions of constant loading. This flatness would impact the convergence in the optimization, while at the same time mean that discrepancies in the design itself would be less severe.

49 EE - Wind and Water Power Program - Wind (EE-4W↗
DOE OSTI2021

IEA Wind Energy Task 37 System Engineering Aerodynamic Optimization Case Study: Preprint

This paper presents the results from the first IEA Wind Task 37 aerodynamic optimization case study. Eight participants applied their optimization tools to a purely aerodynamic problem and the results were compared. Overall, the different tools produced widely different designs, while there was better agreement in the improvement achieved. This highlights the fact that further investigation is needed to try to understand these differences and develop best practices. There were too many differences between the different analysis and optimization codes to determine the sources of these differences. However, several potential sources of discrepancy were identified for further investigation. One hypothesis is that one potential source of discrepancy is that the design problem itself is relatively flat in design directions of constant loading. This flatness would impact the convergence in the optimization, and at the same time mean that discrepancies in the design itself would be less severe.

49 EE - Wind and Water Power Program - Wind (EE-4W↗
DOE OSTI2021

Advanced Light-Duty Spark Ignition Engine Research: Co-Optimization of Fuels and Engines and Partnership to Advance Combustion Engines (FY2020 Annual Progress Report)

This report covers recent progress on research tasks that support both the Co-Optimization of Fuels and Engines (Co-Optima) initiative and the Partnership to Advance Combustion Engines (PACE) consortium. The Co-Optima tasks further the science-base needed by industry stakeholders to co-evolve the next generation of highly efficient direct injection spark ignition (DISI) engines and new gasoline-type fuels. The research emphasis is on fuel effects on multimode spark ignition (SI) engine operation, which uses traditional non-dilute stoichiometric operation for peak load and power but reverts to lean operation at lower loads to provide higher fuel economy. This work focuses on determining desirable fuel specifications in terms of well-established metrics like research octane number (RON) and motor octane number, but it also involves the assessment of new fuel metrics, including fuel sooting propensity and phi-sensitivity. The PACE task supports the development of predictive computational fluid dynamics (CFD) modeling, which promises to unlock new strategies for high-efficiency combustion while minimizing tailpipe emissions. Here, the primary fuel is a regular E10 gasoline (i.e., a regular gasoline blend containing 10% ethanol), and focus is on fuel-spray dynamics and soot emissions. Soot-formation pathways are studied to determine how the pathways change with injection strategies and the thermal state of the engine (i.e., cold-starting vs. fully warmed-up operation). This PACE task also contributed to the development of an optimal E10 gasoline surrogate fuel, as reported in detail elsewhere

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Biosensor Guided Polyketide Synthases Engineering for Optimization of Domain Exchange Boundaries

Type I modular polyketide synthases (PKSs) are multi-domain enzymes functioning like assembly lines. Many engineering attempts have been made for the last three decades to replace, delete and insert new functional domains into PKSs to produce novel molecules. However, inserting heterologous domains often destabilize PKSs, causing loss of activity and protein misfolding. To address this challenge, here we develop a fluorescence-based solubility biosensor that can quickly identify engineered PKSs variants with minimal structural disruptions. Using this biosensor, we screen a library of acyltransferase (AT)-exchanged PKS hybrids with randomly assigned domain boundaries, and we identify variants that maintain wild type production levels. We then probe each position in the AT linker region to determine how domain boundaries influence structural integrity and identify a set of optimized domain boundaries. Overall, we have successfully developed an experimentally validated, high-throughput method for making hybrid PKSs that produce novel molecules.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Tailored Bioblendstocks with Low Environmental Impact to Optimize MCCI Engines (Final Technical Report)

The overall objective of the project is to develop and demonstrate a microalgae bio-blendstock with greater than 60% greenhouse gas reduction potential relative to petroleum diesel, that can reduce sooting propensity, increase cetane number and improve engine thermal efficiency relative to a baseline diesel engine operating on conventional fuel. Overall, the project achieved the proposed objectives including producing the final tangible deliverable. A sample of algal bioblendstock was analyzed by National Renewable Energy Laboratory (NREL) staff and partners at Yale University. In addition, the work outlined in this report provides substantial new knowledge on the subjects of algae cultivation, algae conversion to biocrude, biocrude upgrading and combustion optimization.

09 BIOMASS FUELS↗
DOE OSTI2020

Combining mechanistic and machine learning models for predictive engineering and optimization of tryptophan metabolism

Abstract Through advanced mechanistic modeling and the generation of large high-quality datasets, machine learning is becoming an integral part of understanding and engineering living systems. Here we show that mechanistic and machine learning models can be combined to enable accurate genotype-to-phenotype predictions. We use a genome-scale model to pinpoint engineering targets, efficient library construction of metabolic pathway designs, and high-throughput biosensor-enabled screening for training diverse machine learning algorithms. From a single data-generation cycle, this enables successful forward engineering of complex aromatic amino acid metabolism in yeast, with the best machine learning-guided design recommendations improving tryptophan titer and productivity by up to 74 and 43%, respectively, compared to the best designs used for algorithm training. Thus, this study highlights the power of combining mechanistic and machine learning models to effectively direct metabolic engineering efforts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

TAILORED BIOBLENDSTOCKS WITH LOW ENVIRONMENTAL IMPACT TO OPTIMIZE MCCI ENGINES

The overall objective of the project is to develop and demonstrate a microalgae bio-blendstock with greater than 60% greenhouse gas reduction potential relative to petroleum diesel, that can reduce sooting propensity, increase cetane number and improve engine thermal efficiency relative to a baseline diesel engine operating on conventional fuel. Specific objectives include: (1) development of a new framework for both LCA and TEA that explicitly considers temporal variation in productivity and the frequency of crop loss; (2) determination of how fuel compounds that can be produced from the algal biomass can be ‘bio-tailored’ based on the species composition and biological production process, and subsequent processing via HTL to biocrude, and upgrading of the biocrude; (3) execution of a feedback loop (algae production  biocrude refining  combustion optimization  feedback to refining stage), for optimization of fuels for MCCI combustion; (4) optimization of MCCI combustion and emissions performance, accounting first for the biological processes that dictate the chemical composition of biocrude oil, and second for the subsequent chemical processes that comprise mixing controlled compression ignition combustion; (6) simulation of MCCI engine combustion processes to demonstrate the incorporation of relevant fuel chemistry that captures the specific impacts of optimized algal fuels.

09 BIOMASS FUELS↗