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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 415 records · Page 23

Augmenting Parametric Optimal Ascent Trajectory Modeling with Graph Theory

It has been well documented that decisions made in the early stages of Conceptual and Pre-Conceptual design commit up to 80% of total Life-Cycle Cost (LCC) while engineers know the least about the product they are designing [1]. Once within Preliminary and Detailed design however, making changes to the design becomes far more difficult to enact in both cost and schedule. Primarily this has been due to a lack of detailed data usually uncovered later during the Preliminary and Detailed design phases. In our current budget-constrained environment, making decisions within Conceptual and Pre-Conceptual design which minimize LCC while meeting requirements is paramount to a program's success. Within the arena of launch vehicle design, optimizing the ascent trajectory is critical for minimizing the costs present within such concerns as propellant, aerodynamic, aeroheating, and acceleration loads while meeting requirements such as payload delivered to a desired orbit. In order to optimize the vehicle design its constraints and requirements must be known, however as the design cycle proceeds it is all but inevitable that the conditions will change. Upon that change, the previously optimized trajectory may no longer be optimal, or meet design requirements. The current paradigm for adjusting to these updates is generating point solutions for every change in the design's requirements [2]. This can be a tedious, time-consuming task as changes in virtually any piece of a launch vehicle's design can have a disproportionately large effect on the ascent trajectory, as the solution space of the trajectory optimization problem is both non-linear and multimodal [3]. In addition, an industry standard tool, Program to Optimize Simulated Trajectories (POST), requires an expert analyst to produce simulated trajectories that are feasible and optimal [4]. In a previous publication the authors presented a method for combatting these challenges [5]. In order to bring more detailed information into Conceptual and Pre-Conceptual design, knowledge of the effects originating from changes to the vehicle must be calculated. In order to do this, a model capable of quantitatively describing any vehicle within the entire design space under consideration must be constructed. This model must be based upon analysis of acceptable fidelity, which in this work comes from POST. Design space interrogation can be achieved with surrogate modeling, a parametric, polynomial equation representing a tool. A surrogate model must be informed by data from the tool with enough points to represent the solution space for the chosen number of variables with an acceptable level of error. Therefore, Design Of Experiments (DOE) is used to select points within the design space to maximize information gained on the design space while minimizing number of data points required. To represent a design space with a non-trivial number of variable parameters the number of points required still represent an amount of work which would take an inordinate amount of time via the current paradigm of manual analysis, and so an automated method was developed. The best practices of expert trajectory analysts working within NASA Marshall's Advanced Concepts Office (ACO) were implemented within a tool called multiPOST. These practices include how to use the output data from a previous run of POST to inform the next, determining whether a trajectory solution is feasible from a real-world perspective, and how to handle program execution errors. The tool was then augmented with multiprocessing capability to enable analysis on multiple trajectories simultaneously, allowing throughput to scale with available computational resources. In this update to the previous work the authors discuss issues with the method and solutions.

Patrick D Dees↗

Improved Propulsion Modeling for Low-Thrust Trajectory Optimization

Low-thrust trajectory design is tightly coupled with spacecraft systems design. In particular, the propulsion and power characteristics of a low-thrust spacecraft are major drivers in the design of the optimal trajectory. Accurate modeling of the power and propulsion behavior is essential for meaningful low-thrust trajectory optimization. In this work, we discuss new techniques to improve the accuracy of propulsion modeling in low-thrust trajectory optimization while maintaining the smooth derivatives that are necessary for a gradient-based optimizer. The resulting model is significantly more realistic than the industry standard and performs well inside an optimizer. A variety of deep-space trajectory examples are presented.

trajectory↗

Develop a new integrated macro→micro←nano (MMN) multiscale modeling framework to optimize high strength aluminum alloys and processes for vehicle light-weighting​

Bending tests provide a means to study plane strain fracture performance of 6000 series aluminum alloys. Metrics from bending tests have been correlated with self-pierce riveting (SPR) performance of a high strength AA6111 automotive aluminum alloy in previous works. Using the ORNL HPC resources, this project developed an innovative macro→micro←nano (MMN) multiscale microstructure-based finite element (FE) code to further understanding of the relationship between microstructure and fracture properties of high-strength 6000-series alloys. This work started with microstructural characterization in both mesoscale and nanoscale and bending performance characterization of AA6111 HS2-T6 alloy at Ford, the MMN framework was applied to this alloy to simulate 3-point VDA bending. From the results of the macro-modeling of 3-point VDA bending, the critical region of fracture was identified, and the region geometry was used to construct the micro-model. The fracture criterion of micron-scale precipitates and aluminum matrix which contains submicron and nano particles (AL-SMP-NP) in the micro-model was calibrated and validated by comparing simulated and measured bending results. With the AL-SMP-NP fracture strain obtained, the fracture strain of Al-matrix containing nano particles (ALNP) will similarly be determined by a submicron scale-model using an edge-constrained FE modeling approach developed by Hu et al. With the ALNP fracture strain obtained, the fracture strain of Al-matrix containing no particles will similarly be determined by a nano scale-model using an edge-constrained FE modeling approach. After the MMN framework is built and fracture criterion calibrated, nano-model FE simulations with virtual microstructures was performed to obtain a reduced order model (ROM) of the fracture criterion of the ALNP as a function of volume fraction, size, and distribution of the nanoparticle. This nano→submicron→micro modeling part allows exploration of the influence of different material nanostructures from different process conditions on the bending properties within the multiscale bending simulation framework and the ROM of material bendability as a function of nanoparticle size and shape was established. This obtained reduced order model (ROM) could help guide the design and selection of materials to improve existing SPR process models that could replace trial-and-error rivet/die selection and help to design new rivet/die combinations capable of robustly joining new higher strength 6000 5 series alloys in automotive body structures. This would enable lightweighting of Ford vehicles leading to greater fuel efficiency and reduce manufacturing time and energy.

36 MATERIALS SCIENCE↗

Optimization Through Multi-Fidelity Modeling

We present a novel method for optimizing parameter selection for simulations with an evaluation budget. We start with an existing method for building a multi-fidelity model out of many low-fidelity simulations and few high-fidelity simulations. We propose a novel method to simplify parameter selection without sacrificing performance. We verify these results and compare with existing literature. Next, we propose a novel algorithm which uses this difference model to suggest new points in the parameter design space to simulate. We add each point we simulate to the model to improve its quality for the next iteration. The algorithm trades off reducing the uncertainty of the existing model with optimization of the objective. The first is more useful when a large fraction of the computation budget remains. The second is more useful when a small fraction of the computation budget remains. Our method converges to the optimum by using a high-fidelity evaluation for just 16 of the 427 points. Our method is general enough to work if there is no low-fidelity model. Furthermore, it is agnostic to the underlying physics of the problem. Therefore, both the low-fidelity and high-fidelity models can be generated by any arbitrary function, including simulations and physical experiments.

97 MATHEMATICS AND COMPUTING↗

Development and Experimental Optimization of High-Temperature Modeling Tools and Methods for Concentrated Solar Power Particle - Systems

A novel, open-source radiative modeling toolset was developed to extend the functionality of particle-based modeling software (e.g. discrete element method (DEM)) to environmental conditions relevant to concentrated solar power applications. This toolset was optimized for deployment on desktop workstations instead of high-performance computing systems, to render such tools more accessible to the research community. Both particle-based modeling and radiative exchange modeling are computationally expensive and often require specialized programming expertise, making these methods cumbersome to use. Recent developments in DEM software by DCS Computing have greatly reduced these challenges, providing a graphical-user-interface based platform and modeling optimization for desktop workstations, HPCs, and cloud computing. The University of Dayton leveraged the experience of DCS Computing in developing a user-friendly, open-source radiative heat transfer expansion for DEM modeling. The University of Dayton DEM+ radiative modeling toolset was developed using a combination of fundamental experimental measurements, modeling, and simplified flow experiments over a range of temperatures and flow conditions. The toolset provides researchers with access to multiple radiative models including an accelerated Monte-Carlo Ray Tracing (application agnostic, highly computationally expensive), an expanded database of distance-based approximations (application limited, computationally light), and a weighted blending of the two methods capable of achieving over 90% reduction in computation time with equivalent accuracy compared to Monte-Carlo Ray Tracing. Through a graphical user interface, users can customize the radiative models to match their desired accuracy and available computational resources, improving access to particle based modeling for the research community. Ceramic sintered bauxite proppants were used in modeling and experimentally as a baseline. Both the radiative heat transfer and flow properties for particulate systems were investigated at elevated temperatures up to 800 °C. The major accomplishments for this work include a verified, open-source radiative modeling toolset to be distributed amongst the research community and the fabrication of three small-scale test facilities to investigate particle behavior and tune DEM flow properties for operation up to 800 °C. The findings have been shared with the research community via conference modeling workshops, deployment of the tools in DCS Computing Aspherix®, and open-source access to the developed radiative modeling tool. The development of next-generation CSP facilities and thermal energy storage systems based on ceramic particles requires providing access to computationally efficient and accurate modeling tools. Particles will experience a wide range of environments (20-800 °C) and handling conditions (dilute curtains or dense packing), requiring specially designed and optimized equipment. Optimizing solid particle physics models and establishing best-practices for particle modeling in CSP environments will assist researchers with designing optimized equipment, accelerating the deployment of more economically-competitive CSP facilities.

14 SOLAR ENERGY↗

Importance of Higher Fidelity Model Geometries during Optimization of Critical Experiments

PARADIGM, PARallel Approach of Differential and InteGral Measurements, is a cross-collaborative effort at Los Alamos National Laboratory between nuclear data theorists, differential and integral experimenters, as well as machine learning statisticians to tackle uncertainties in the intermediate region of 239 Pu. In essence, the idea behind PARADIGM is to remove the linear conceptualization of the nuclear data pipeline, shown in Figure 1, and replace it with a far more parallelized approach. The novel approach leverages machine learning to guide which differential measurements and integral experiments will result in the largest decrease in uncertain ties for a nuclide reaction pair in a given energy range. The concept builds off earlier work, EUCLID, which focused on the fast region of 239 Pu. The practical benefit of having evaluation, differential measurement, and integral experiment personnel in collaboration with machine learning is to represent the entire nuclear data in one snapshot. This enable large reduction in the time to deliver improved nuclear data, which using the PARADIGM approach could be done in 3 years. A general outline of PARADIGM and specific topics are available in other papers. The discussion here will pertain directly to the integral experiment design. More specifically, the process of taking a rough design and transforming it into a finalized neutronic model will be discussed.

97 MATHEMATICS AND COMPUTING↗

Multidisciplinary Approach to Linear Aerospike Nozzle Optimization

A model of a linear aerospike rocket nozzle that consists of coupled aerodynamic and structural analyses has been developed. A nonlinear computational fluid dynamics code is used to calculate the aerodynamic thrust, and a three-dimensional fink-element model is used to determine the structural response and weight. The model will be used to demonstrate multidisciplinary design optimization (MDO) capabilities for relevant engine concepts, assess performance of various MDO approaches, and provide a guide for future application development. In this study, the MDO problem is formulated using the multidisciplinary feasible (MDF) strategy. The results for the MDF formulation are presented with comparisons against sequential aerodynamic and structural optimized designs. Significant improvements are demonstrated by using a multidisciplinary approach in comparison with the single- discipline design strategy.

Korte, J. J.↗

Smart culture medium optimization for recombinant protein production: Experimental, modeling, and AI/ML-driven strategies

Recombinant protein production (RPP) is central to biotechnology, where recombinant proteins are used as either end products or catalysts in the synthesis of chemicals, fuels, and materials. Among the major cost drivers, culture medium plays a pivotal role in determining protein yield and quality. This review presents a comprehensive perspective on the critical stages of “smart” culture medium optimization: planning, screening, modeling, optimization, and validation. In the planning stage, we examine the nutritional and energetic roles of medium components, including carbon, nitrogen, amino acids, salts, and trace metals, and their impacts on culture parameters such as pH, oxidative state, and osmolality. We highlight the variability in trace metal content due to water sources, culture vessels, and raw materials, which can substantially influence RPP. The screening stage covers Design of Experiments (DoE) approaches, assessing their theoretical basis, implementation, and limitations. For modeling, we describe methods that integrate experimental data to develop predictive models for smart medium formulation. Model-based optimization strategies can then be employed to select optimal media compositions for a given application. The validation stage aims to evaluate model predictions and provide feedback for model training and refinement. Finally, we survey mechanistic and artificial intelligence/machine learning (AI/ML)-driven models as integrated, transformational tools for predictive modeling of bioprocess conditions, nutrient availability, cellular metabolism, and protein quality, with the goal of optimizing culture media to enhance protein yields while reducing costs and environmental impact. We conclude by addressing the challenges of translating laboratory-scale medium optimization to industrial-scale settings and exploring future AI/ML-driven approaches that may overcome current bottlenecks and accelerate medium design for RPP. Overall, this review provides a unified framework for advancing smart medium design in RPP.

Artificial Intelligence/Machine Learning (AI/ML)↗

Optimal Managed Fast-Charging Model for Electric Vehicle Fleets with High Utilization and Multiple Charge-Acceptance Curves

A predictive control/scheduling optimization model is proposed for managed charging of an electric vehicle (EV) fleet - under time-of-use energy and demand prices, high vehicle utilization frequency (short dwell times), multiple charge- acceptance curves (configurable charging rates), and flexible vehicle demand. This context is particularly relevant for flight schools (small electric aircraft) or other commercial facilities where an EV fleet performs multiple operating and fast-charging sessions on the same day. The proposed model performs both the operational and charging scheduling of the vehicles, which is not typically done for residential managed charging and significantly increases problem complexity. The problem is formulated as a MILP model and a case study of a small fast-charging station is presented. Results demonstrate a significant reduction in operating cost, mainly from peak shaving during high demand price periods, achieved by coordinating the operation of different vehicles, chargers and charging rates.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗

Bayesian discovery of optimal reduced order models from mechanistic and experimental data: A case study of Pd penetration in TRISO fuels using BISON

TRistructural ISOtropic (TRISO) particles rely on a silicon carbide (SiC) layer as the primary structural material and barrier to metallic fission products (FPs) release. Accurate prediction of palladium (Pd) transport and penetration is therefore critical for qualifying TRISO fuels for advanced reactors. The empirical correlation for Pd penetration in BISON is derived from historical particle-fuel data, but cannot explain the large scatter in the experimental data that arises from varying experimental conditions. To aid fuel qualification, we previously developed a mechanistic reduced order model (ROM) using BISON that resolves these dependencies. Here, in this work we build on that mechanistic ROM and perform validation and quantify its uncertainty using Bayesian uncertainty quantification (UQ). calibration against a suite of in-pile and out-of-pile experiments spanning particle compositions, geometries, and operating conditions, and we benchmark it against the empirical correlation. Bayesian UQ identifies influential parameters, calibrates them to data, and yields predictive intervals. Results show that while the empirical correlation can be tuned to fit a single experiment type, it transfers poorly; the mechanistic ROM sustains accuracy with credible uncertainty across disparate conditions. This demonstrates a practical path—via Bayesian UQ applied to mechanistic ROMs—to leverage single-effect experiments for inferring in-reactor behavior and supporting TRISO fuel qualification.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Scalable workflow for evaluating and optimizing large language models

This work describes the improved workflow for evaluating open-source large language models (LLMs) for trustworthiness. The workflow facilitates the acquisition of LLMs, the generation of LLM responses, and the evaluation of the responses for their trustworthiness. As a use case, the workflow is employed to evaluate dense, quantized, and pruned Meta Llama3.1 LLMs for their truthfulness. The outcome of the project could set the stage for understanding and developing trustworthy models in the future projects.

97 MATHEMATICS AND COMPUTING↗

Develop a new integrated macro→micro←nano (MMN) multiscale modeling framework to optimize high strength aluminum alloys and processes for vehicle light-weighting​

Bending tests provide a means to study plane strain fracture performance of 6000 series aluminum alloys. Metrics from bending tests have been correlated with self-pierce riveting (SPR) performance of a high strength AA6111 automotive aluminum alloy in previous works. Using the ORNL HPC resources, this project developed an innovative macro→micro←nano (MMN) multiscale microstructure-based finite element (FE) code to further the understanding of microstructural relationship to fracture properties of high strength 6000 series alloys.

36 MATERIALS SCIENCE↗

Contextual modeling and Bayesian Optimization for Improved Injection at the Fermilab Booster

The Fermilab accelerator complex delivers high-intensity proton beams to serve the lab’s neutrino, muon, and fixed-target programs. A normal-conducting Linac accelerates H− beam to 400 MeV and injects into the Booster rapid cycling synchrotron via charge exchange, which accelerates protons to 8 GeV. Injection from the Linac into the Booster is a critical area for high-power performance of the Fermilab proton complex. The Booster is a high-intensity proton ring with extreme space-charge forces which necessitates precise control over the beam losses through the acceleration cycle. The main challenge for the reliability of Booster performance is compensating for drifting conditions in the beam from the Linac, which can drift daily in energy by up to O(1) MeV w.r.t. design. Drifts in Linac orbit and energy must be corrected to match the Booster, while simultaneously accommodating interdependent drifts in transverse and longitudinal beam quality. Operationally, compensation for these changes is addressed by manual tuning of the Linac output energy and/or Booster acceptance, which can be inefficient and time-consuming. This works describes contextual Bayesian Optimization for injection tuning that takes into account the state of Linac beam via information from instrumentation in the injection line (Beam position monitors (BPMs), beam loss monitors (BLMs), wire scanners for transverse profiles (WSs)), as well as RF cavity setting parameters from the Linac.

Sharankova, R. [Fermilab] (ORCID:000000027014593X)↗

Abstract models for the synthesis of optimization algorithms.

Systematic approach to the problem of synthesis of optimization algorithms. Abstract models for algorithms are developed which guide the inventive process toward ?conceptual' algorithms which may consist of operations that are inadmissible in a practical method. Once the abstract models are established a set of methods for converting ?conceptual' algorithms falling into the class defined by the abstract models into ?implementable' iterative procedures is presented.

Meyer, G. G. L.↗