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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Emerging investigator series: quantification of multiwall carbon nanotubes in plant tissues with spectroscopic analysis

If agricultural plants are exposed to carbon nanotubes (CNTs), they can potentially take up the CNTs from growth media and translocate them to their different tissues. In addition, agricultural application of CNTs recently attracted increasing attention, as they could promote germination, enhance crop yield, and exhibit other benefits. For evaluating the environmental effects of CNTs and optimizing their agricultural application, it is essential to quantify CNTs in plant tissues. In this study, pristine (p-) and carboxyl-functionalized (c-) multiwall CNTs (MWCNTs) were extracted from plant tissues by a sequential digestion with nitric acid (HNO 3 ) and sulfuric acid (H 2 SO 4 ). The extracted MWCNTs were stabilized with nonionic surfactant Triton X-100 and analyzed with ultraviolet-visible (UV-vis) spectroscopic analysis to measure the concentration of the MWCNTs in plant (lettuce) tissues. The MWCNT concentration was linearly correlated with the absorbance at 800 nm. The detection limit for p- and c-MWCNTs was achieved at 0.10–0.12, 0.070–0.081, 0.019–0.18 μg mg -1 for leaf, stem, and root tissues, respectively. The developed method was applied for lettuce (Lactuca sativa, cv. black seeded Simpson) hydroponically grown with 5, 10, 20 mg L -1 of p-MWCNTs and c-MWCNTs in the culture solution. We detected 0.21 ± 0.05–4.57 ± 0.39 μg mg -1 p-MWCNTs and 0.20 ± 0.17–0.75 ± 0.25 μg mg -1 c-MWCNTs in the lettuce roots, positively correlated with the dose of CNTs in solution. We have come up with a method for rapid quantification of CNTs in plant tissues using a widely-accessible technique, which can enable reliable analysis of CNTs in plant tissues and provide critical information for evaluating the environmental implications and managing agricultural application of CNTs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

HydraGNN v5.0

HydraGNN v5.0 expands the code base into a more portable, scalable, and flexible framework for scientific graph learning, with particular strength in atomistic machine-learning interatomic potentials and large-scale distributed training. The release adds Fully Sharded Data Parallel (FSDP) support alongside existing DDP and DeepSpeed paths, including FSDP-aware checkpointing and optimizer integration, and introduces a configurable multi-precision training workflow supporting FP32, BF16, and FP64 across GPUs and Intel XPUs. For atomistic modeling, HydraGNN v5.0 strengthens its MLIP capabilities through dynamic graph construction at every forward pass, energy-conserving force prediction via automatic differentiation, and per-atom energy loss formulations, while extending EGNN models to properly handle periodic boundary conditions. The release also broadens model expressiveness through graph-level attribute conditioning, adds new multi-task and model-parallel extensions such as MACE support and encoder/decoder branch optimization, and expands application coverage with integrated examples for datasets including OC25, Nabla2-DFT, QCML, Open Polymers 2026, and OPF. In parallel, HydraGNN v5.0 improves production readiness through performance optimizations for large-scale runs, stratified sampling and linear-regression preprocessing utilities, and tested installation scripts for DOE supercomputers including Frontier, Aurora, Perlmutter, and Andes. Overall, the release advances HydraGNN as a robust software platform for scalable graph neural networks across materials science, chemistry, and scientific machine learning workflows

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗
DOE OSTI2026

Convex Optimization with Smart Grid Examples

In this talk, we give an overview of the field of convex optimization and work through four canonical problems that relate to electrical power systems and smart grids. The purpose of these examples is to demonstrate the breadth of applications of convex optimization in energy research and to show that toy versions of these problems can be solved in just a few lines of code, indicating the scale and complexity of problems that can be tackled with a more detailed treatment. We emphasize the cvxpy modeling language as a foundational technology that enables rapid development and prototyping of convex optimization problems, allowing researchers to focus on model development rather than get caught in the weeds of numerical and code implementation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1996

A Framework for the Optimization of Discrete-Event Simulation Models

With the growing use of computer modeling and simulation, in all aspects of engineering, the scope of traditional optimization has to be extended to include simulation models. Some unique aspects have to be addressed while optimizing via stochastic simulation models. The optimization procedure has to explicitly account for the randomness inherent in the stochastic measures predicted by the model. This paper outlines a general purpose framework for optimization of terminating discrete-event simulation models. The methodology combines a chance constraint approach for problem formulation, together with standard statistical estimation and analyses techniques. The applicability of the optimization framework is illustrated by minimizing the operation and support resources of a launch vehicle, through a simulation model.

Joshi, B. D.↗
DOE OSTI2019

Maximizing the Benefits of Volt/VAR Optimization in the Presence of Community Energy Storage

This paper reports on the need for coordinating smart grid volt/volt-ampere reactive (VAR) control (VVC) and community energy storage (CES) to maximize the benefits of both approaches. It addresses a key application of volt/VAR optimization (VVO): the conservation of voltage reduction (CVR). The lack of coordination among network controls, such as VVO, and asset controls at the community battery storage system can lead to detrimental effects on grid operation. A smart grid-enabled VVC uses the VVO to perform the CVR operation. VVO can perform numerous tasks for advanced distribution management systems with coordination of the system operator. To achieve the optimal VVC solution, we use a particle swarm optimization driven VVO method. The test system has been simulated for two scenarios-during light loading and high loading condition-with and without the CES system. In both scenarios, the operation of CVR and CES have been performed considering different case studies. The outcomes of the simulated results demonstrate that significant improvement in peak load-demand reduction is achieved by the proposed VVC and CES system with reduced system losses.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2002

Primer Vector Optimization: Survey of Theory, New Analysis and Applications

In this paper, a summary of primer vector theory is presented. The applicability of primer vector theory is examined in an effort to understand when and why the theory can fail. For example, since the Calculus of Variations is based on "small" variations, singularities in the linearized (variational) equations of motion along the arcs must be taken into account. These singularities are a recurring problem in analyse that employ small variations. Two examples, the initialization of an orbit and a line of apsides rotation, are presented. Recommendations, future work, and the possible addition of other optimization techniques are also discussed.

Guzman, J. J.↗
DOE OSTI2019

Parametric analysis and optimization of CO 2 trans-critical cycle for chiller application in a warm climate

This article presents parametric analysis and subsequent optimization of a CO 2 trans-critical chiller system operating in a warm climate. Additionally, high side pressure and gas cooler face velocities are two controllable parameters investigated. COP of the system is analyzed and optimized using a developed and validated mathematical model. The mean relative error of prediction in COP is found to be within ±10% for physics-based model and within ±1% for Artificial Neural Network (ANN) based model of the experimental findings. The validated mathematical model is utilized to predict optimal high side pressure as well as gas cooler face velocity for the varying ambient and evaporation conditions to achieve best possible COP. A possibility of 5.31% improvement in COP is found based on the optimization of parameters. In conclusion, the proposed methodology is deemed suitable for design and testing of control system for maximization of energy efficiency.

42 ENGINEERING↗
DOE OSTI2024

Coupled Gel/Seeded Growth of Cs2AgBiBr6 Single Crystals for Radiation Detection

Abstract— The all-inorganic lead free Cs2AgBiBr6 perovskite represents a highly promising environment-friendly radiation detector material. The first attempt to grow Cs2AgBiBr6 single crystals using the unique gel growth method is reported in this study. This technique enables controlled reagent diffusion in a gel medium at room temperature, fostering the growth of visible single crystals. It offers advantages over conventional methods, leading to fewer equilibrium and non-equilibrium defects and simplified execution. Interestingly, the as-grown crystals exhibited variations in size and colors within the gel matrix, indicating the influence of Bi solutes in Bi-poor and Bi-rich Cs2AgBiBr6 crystals. Once the crystals were confirmed by powder xray diffraction, a series of comprehensive material characterizations was performed. The resistivity of Cs2AgBiBr6 single crystals was measured at 1.12x107 Ω•cm. Trap density analysis yielded a value of 2.82 x1010 cm-3. The charge carrier mobility was determined to be 32.9 cm2V-1S-1, suggesting the suitability for radiation detector applications. Additional growth optimization is going on and further characterization will be reported during the presentation. Our work helps accelerate the development of lead-free perovskite materials toward radiation detector applications.

James, Ralph B.↗
NASA NTRS1976

Preheated, combustion-driven gasdynamic lasers

The effect of preheated nitrogen on the available laser specific energy is examined for two classes of combustion-driven gasdynamic lasers (GDLs). The analysis combines a nonequilibrium model of the relevant GDL processes with a simplified nondissociating combustion model handling a variety of candidate GDL fuels. For a more comprehensive evaluation of the capabilities of preheating, an optimization routine is added to the combined laser/combustion models. The effectiveness of preheating to enhance laser specific energy is demonstrated, although preheating may impose unacceptable hardware requirements. The application of numerical optimization techniques appears to offer a means to improve laser design.

Saunders, R. C., III↗
NASA NTRS1988

Aerodynamic optimization by simultaneously updating flow variables and design parameters with application to advanced propeller designs

A scheme is developed for solving constrained optimization problems in which the objective function and the constraint function are dependent on the solution of the nonlinear flow equations. The scheme updates the design parameter iterative solutions and the flow variable iterative solutions simultaneously. It is applied to an advanced propeller design problem with the Euler equations used as the flow governing equations. The scheme's accuracy, efficiency and sensitivity to the computational parameters are tested.

Rizk, Magdi H.↗
DOE OSTI2022

Observational process data analytics using causal inference

Voluminous process data are available with the paradigm shift toward smart manufacturing. However, most historical data are observational, containing noncausal correlations due to confounders and mediators. Estimating causal effects from observational data remains a bottleneck in leveraging them for active applications such as optimization and control. Further, this work aims to introduce a causal modeling framework for analyzing observational process data and extracting quantitative causal information. We demonstrate a real-world application in steel manufacturing where causal inference is used to analyze observational production data and improve the steelmaking process. Additionally, we propose a novel formulation for identifying critical process parameters from observational data, where causal inference is combined with variance-based methods to estimate corresponding risks of interventions to the manufacturing system. The proposed methods are compared with statistical ones to illustrate that causally interpreting statistical correlation leads to problematic results, while the provided workflow generates satisfactory strategies for process improvement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Space Reclamation for Uncoordinated Checkpointing in Message-Passing Systems

Checkpointing and rollback recovery are techniques that can provide efficient recovery from transient process failures. In a message-passing system, the rollback of a message sender may cause the rollback of the corresponding receiver, and the system needs to roll back to a consistent set of checkpoints called recovery line. If the processes are allowed to take uncoordinated checkpoints, the above rollback propagation may result in the domino effect which prevents recovery line progression. Traditionally, only obsolete checkpoints before the global recovery line can be discarded, and the necessary and sufficient condition for identifying all garbage checkpoints has remained an open problem. A necessary and sufficient condition for achieving optimal garbage collection is derived and it is proved that the number of useful checkpoints is bounded by N(N+1)/2, where N is the number of processes. The approach is based on the maximum-sized antichain model of consistent global checkpoints and the technique of recovery line transformation and decomposition. It is also shown that, for systems requiring message logging to record in-transit messages, the same approach can be used to achieve optimal message log reclamation. As a final topic, a unifying framework is described by considering checkpoint coordination and exploiting piecewise determinism as mechanisms for bounding rollback propagation, and the applicability of the optimal garbage collection algorithm to domino-free recovery protocols is demonstrated.

Wang, Yi-Min↗
DOE OSTI2022

Numerical modeling based machine learning approach for the optimization of falling - film evaporator in thermal desalination application

Scale formation that drastically increases thermal resistance and reduces freshwater production remains a critical challenge in thermal desalination. Novel designs of falling film evaporator and optimal operating condition hold great promise to mitigate scale formation, and increase heat transfer performance and fresh water production. In this work, CFD simulation based machine learning and multi-objective optimization are performed to identify optimal conditions and tube arrangement for evaporator. Non-dominated sorting genetic algorithm is adopted to determine and analyze the optimal pareto front for multiple objectives in desalination criteria. The errors of training, validation, and testing set are computed to identify an optimal hyperparameter set. For performance ratio, fouling resistance, and water production rate, the average relative error is 2.26%, 3.67%, and 3.24%. At pareto front, both performance ratio and water production rate increase at high temperature with fouling resistance (thermal resistance of the fouling layer) increasing as well. Tradeoffs between mitigating scale formation and enhancing desalination performance are evaluated in optimizations for different objectives. Finally, potential optima are identified and can be applied as guidelines to determine evaporator design and system operating conditions.

42 ENGINEERING↗
NASA NTRS1984

Multiobjective optimization techniques for structural design

The multiobjective programming techniques are important in the design of complex structural systems whose quality depends generally on a number of different and often conflicting objective functions which cannot be combined into a single design objective. The applicability of multiobjective optimization techniques is studied with reference to simple design problems. Specifically, the parameter optimization of a cantilever beam with a tip mass and a three-degree-of-freedom vabration isolation system and the trajectory optimization of a cantilever beam are considered. The solutions of these multicriteria design problems are attempted by using global criterion, utility function, game theory, goal programming, goal attainment, bounded objective function, and lexicographic methods. It has been observed that the game theory approach required the maximum computational effort, but it yielded better optimum solutions with proper balance of the various objective functions in all the cases.

Rao, S. S.↗
DOE OSTI2021

Distributed Optimization in Distribution Systems: Use Cases, Limitations, and Research Needs

We report electric distribution grid operations typically rely on both centralized optimization and local non-optimal control techniques. As an alternative, distribution system operational practices can consider distributed optimization techniques that leverage communications among various neighboring agents to achieve optimal operation. With the rapidly increasing integration of distributed energy resources (DERs), distributed optimization algorithms are growing in importance due to their potential advantages in scalability, flexibility, privacy, and robustness relative to centralized optimization. Implementation of distributed optimization offers multiple challenges and also opportunities. This paper provides a comprehensive review of the recent advancements in distributed optimization for electric distribution systems and classifications using key attributes. Problem formulations and distributed optimization algorithms are provided for example use cases, including volt/var control, market clearing process, loss minimization, and conservation voltage reduction. Finally, this paper also presents future research needs for the applicability of distributed optimization algorithms in the distribution system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2005

Work Began on Contracts for Radioisotope Power Conversion Technology Research and Development

NASA has had a history of successful space flight missions that depended on radioisotope-fueled power systems. These Radioisotope Power Systems (RPSs) converted the heat generated from the decay of radioisotope material into useful electrical power. An RPS is most attractive in applications where photovoltaics are not optimal, such as deep-space applications where the solar flux is too low or extended applications on planets such as Mars where the day/night cycle, settling of dust, and life requirements limit the usefulness of photovoltaics. NASA s Radioisotope Power Conversion Technology (RPCT) Program is developing next-generation power-conversion technologies that will enable future missions that have requirements that cannot be met by the two RPS flight systems currently being developed by the Department of Energy for NASA: the Multi-Mission Radioisotope Thermoelectric Generator and the Stirling Radioisotope Generator (SRG).

Wong, Wayne A.↗