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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Development of nanoprecipitates-strengthened advanced ferritic alloys for nuclear reactor applications

By using the experimentally justified and optimized thermodynamic database, five ferritic steels and three ferritic-martensitic steels were designed for property screening, including Vickers hardness, tensile, creep, and radiation hardening, which led to the down-selection of one ferritic steel (BL-Nb) and one ferritic-martensitic steel (TTZ2M) for further investigation. Based on the TTZ2M, two large-scale ferritic-martensitic heats, i.e., FTT1 and FTN1, were produced at an industrial steelmaking facility, which are in contrast to the small laboratory heats BL-Nb and TTZ2M. Other than the standard normalization and tempering condition of the ferritic-martensitic steels, a heat-treated condition was explored for the FTT1 and FTN1, which is named as FTT1-T and FTN1-T, respectively. Two-step aging was applied to BL-Nb to favor the precipitation of Laves and B2-NiAl phases. Tensile, Charpy impact, and creep tests were conducted on the samples of the steels in air, using a commercial heat of T91 as a reference. Microstructural characterization was primarily conducted using transmission electron microscopy and energy dispersive x-ray spectroscopy with occasional uses of optical microscopy and scanning electron microscopy.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Organic Rankine Cycle Integration and Optimization for High Efficiency CHP Genset Systems (Final Technical Report)

This project successfully advanced the integration of Organic Rankine Cycle (ORC) technology with reciprocating engine–based combined heat and power (CHP) systems to improve electrical efficiency, total CHP efficiency, and grid-responsive operation. Over three budget periods, the work progressed from high-temperature ORC component development and thermodynamic model validation to next-generation system design, working fluid transition, and techno-economic analysis. Key technical accomplishments include development and validation of a thermodynamic model capable of accurately predicting ORC performance across an expanded temperature and pressure envelope; successful identification and validation of low-global-warming-potential (GWP) working fluids—most notably R1233zd(E)—as viable replacements for R245fa; and demonstration of scalable ORC architectures suitable for integration with 1–20 MW class reciprocating engines. These advances enable flexible CHP configurations that can increase electrical output while maintaining high overall utilization of available thermal energy. The project also produced a clean-sheet design for a next-generation ORC system targeting substantially higher power output per unit, supported by detailed component selection, heat exchanger evaluation, and system-level modeling. Techno-economic analyses indicate that ORC-enabled flexible CHP systems can meet or exceed Department of Energy (DOE) efficiency targets while providing value to both facility operators and the electric grid.. Late-stage testing of the largest next-generation ORC prototype identified limitations related to pump net positive suction head (NPSH) requirements and condenser flooding under certain operating conditions. Although these issues constrained full validation of that configuration within the project timeframe, they provided clear and actionable design guidance for future system refinements. Importantly, validated modeling, smaller-scale testing, and working fluid evaluations confirmed the technical viability of the overall approach. In aggregate, this project met its core objectives by establishing validated design tools, de-risking key ORC technologies for CHP applications, and defining a credible pathway toward commercialization of flexible, high-efficiency CHP systems. The results form a strong foundation for continued development and deployment beyond the conclusion of the DOE-funded effort.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2026

Optimized manufacturing process for multilayer two-dimensional focusing mirrors in laboratory X-ray applications

Recent advances in laboratory X-ray applications require high-performance optical components that achieve exceptional imaging resolution and beam uniformity within compact experimental setups. Montel mirrors have become a preferred solution due to their unique dual-reflection focusing mechanism and a space-efficient design. Here, in this study, we present an effective manufacturing process for producing Montel mirrors tailored to focus laboratory X-ray beams. The mirrors were fabricated from single-crystal silicon substrates, chosen for their high mechanical stability and compatibility with precision polishing techniques. Our approach begins with the integration of a deterministic chemo-mechanical polishing (CMP)-based pre-shaping step followed by ion beam figuring (IBF), significantly improving manufacturing efficiency. Subsequently, our custom-developed advanced metrology and IBF techniques were employed for fabricating an off-axis, elliptical cylinder Montel mirror system with a 6-mrad total slope, with stringent optical specifications. While post-IBF processes, including multilayer coating, dicing, and gluing, introduced minor surface errors, yet their impact on performance remained negligible. The Montel mirrors manufactured with the optimized process exhibited significantly improved beam uniformity and a reduced focal spot size. These findings validate our approach as a viable solution for high-precision Montel mirror fabrication and facilitate further advancements in laboratory X-ray applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A framework for discrete optimization of stellarator coils

Designing magnets for three-dimensional plasma confinement is a key task for advancing the stellarator as a fusion reactor concept. Stellarator magnets must produce an accurate field while leaving adequate room for other components and being reasonably simple to construct and assemble. In this paper, a framework for coil design and optimization is introduced that enables the attainment of sparse magnet solutions with arbitrary restrictions on where coils may be located. The solution space is formulated as a 'wireframe' consisting of a mesh of interconnected wire segments enclosing the plasma. Two methods are developed for optimizing the current distribution on a wireframe: Regularized Constrained Least Squares, which uses a linear least-squares approach to optimize the currents in each segment, and Greedy Stellarator Coil Optimization, a fully discrete procedure in which loops of current are added to the mesh one by one to achieve the desired magnetic field on the plasma boundary. Examples are presented of solutions obtainable with each method, some of which achieve high field accuracy while obeying spatial constraints that permit easy assembly.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Perspectives on biorefineries in microbial production of fuels and chemicals

Microbes drive our complex biosphere by regulating the global ecosystem through cycling elements and energy. Humankind has barely begun leveraging this biotransformation capacity to impact global economies and ecologies. Advances in genetic engineering, molecular analysis, metabolic flux modeling, microbial consortia/biome mapping and engineering, cell-free bioproduction, artificial intelligence/machine learning and the ever expanding -omics frontiers have set the stage for paradigm changes to how humankind produces, uses, transforms, and recycles carbon and energy through microbes. Harnessing this enormous potential could drive a global bioeconomy and manage carbon at a planetary level but requires understanding and application at a grand scale across a broad range of science and engineering disciplines. The penultimate manifestation of these advances is the “bio-refinery”, which is often referenced, but is a long way from being fully developed as a global carbon management platform. Broadening the feed stocks, processing operations, and product portfolio to a sequential cascade optimizing the conversion as a whole instead of limited outputs could greatly advance deployment and stability of a bioeconomy.

09 BIOMASS FUELS↗
DOE OSTI2015

Optimization and large scale computation of an entropy-based moment closure

We present computational advances and results in the implementation of an entropy-based moment closure, M N , in the context of linear kinetic equations, with an emphasis on heterogeneous and large-scale computing platforms. Entropy-based closures are known in several cases to yield more accurate results than closures based on standard spectral approximations, such as P N , but the computational cost is generally much higher and often prohibitive. Several optimizations are introduced to improve the performance of entropy-based algorithms over previous implementations. These optimizations include the use of GPU acceleration and the exploitation of the mathematical properties of spherical harmonics, which are used as test functions in the moment formulation. To test the emerging high-performance computing paradigm of communication bound simulations, we present timing results at the largest computational scales currently available. Lastly, these results show, in particular, load balancing issues in scaling the M N algorithm that do not appear for the P N algorithm. We also observe that in weak scaling tests, the ratio in time to solution of M N to P N decreases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Concurrent Shape and Topology Optimization

The typical topology optimization workflow uses a design domain that does not change during the optimization process. Consequently, features of the design domain, such as the location of loads and constraints, must be determined in advance and are not optimizable. A method is proposed herein that allows the design domain to be optimized along with the topology. This approach uses topology and shape derivatives to guide nested optimizers to the optimal topology and design domain. The details of the method are discussed, and examples are provided that demonstrate the utility of this approach.

42 ENGINEERING↗
DOE OSTI2024

Enabling Lignin Valorization Through Integrated Advances in Plant Biology and Biorefining

Despite lignin having long been viewed as an impediment to the processing of biomass for the production of paper, biofuels, and high-value chemicals, the valorization of lignin to fuels, chemicals, and materials is now clearly recognized as a critical element for the lignocellulosic bioeconomy. However, the intended application for lignin will likely require a preferred lignin composition and form. To that end, effective lignin valorization will require the integration of plant biology, providing optimal feedstocks, with chemical process engineering, providing efficient lignin transformations. Recent advances in our understanding of lignin biosynthesis have shown that lignin structure is extremely diverse and potentially tunable, while simultaneous developments in lignin refining have resulted in the development of several processes that are more agnostic to lignin composition. Here, we review the interface between in planta lignin design and lignin processing and discuss the advances necessary for lignin valorization to become a feature of advanced biorefining.

09 BIOMASS FUELS↗
DOE OSTI2018

A study on tensile properties of Alloy 709 at various temperatures

In recent years, there have been several advancements in energy production from both fossil fuels and the alternate “clean” sources such as nuclear fission. These advancements are fueled by the need for more efficient systems that will optimize the use of the depleting fossil fuel reserves and shift the focus to cleaner sources of energy. The efficiency of any power generation cycle is dependent on the ability of the structural material to withstand increased peak operating temperatures. Advanced austenitic stainless steels have been in the focus as structural material for the next generation nuclear power plants, due to their strength, corrosion resistance, weldability and the wide range of temperatures at which the austenite phase is stable. Alloy 709, a recently developed advanced austenitic stainless steel, is being investigated in this paper. Here in this study, tensile tests were conducted on dog-bone samples of Alloy 709 in an in-situ scanning electron microscope (SEM) loading and heating stage, equipped with electron backscatter diffraction (EBSD), at various temperatures. The in-situ experiments indicated that the material primarily accommodated deformation by slip at lower temperatures. Void formation and coalescence at grain boundaries preceded slip at higher temperatures. Although crack initiation at all elevated temperatures was intergranular, the crack propagation through the material and the final fracture was transgranular ductile. Additionally, tensile tests were conducted on larger cylindrical samples at 550, 650 and 750 °C in air. The results of tests conducted in air and in-situ were found to be in agreement, at these temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Considerations for imaging thick, low contrast, and beam sensitive samples with liquid cell transmission electron microscopy

Transmission electron microscopy of whole cells is hindered by the inherently large thickness and low atomic contrast intrinsic of cellular material. Liquid cell transmission electron microscopy, allows samples to remain in their native hydrated state and may permit visualizing cellular dynamics in-situ. However, imaging biological cells with this approach remains challenging and identifying an optimal imaging regime using empirical data would help foster new advancements in the field. Recent questions about the role of the electron beam inducing morphological changes or damaging cellular structure and function necessitates further investigation of electron beam-cell interactions, but is complicated by variability in imaging techniques used across various studies currently present in literature. The necessity for using low electron fluxes for imaging biological samples requires finding an imaging strategy which produces the strongest contrast and signal to noise ratio for the electron flux used. Here, we experimentally measure and evaluate signal to noise ratios and damage mechanisms between liquid and cryogenic samples for cells using multiple electron imaging modalities all on the same instrument and with equivalent beam parameters to standardize the comparison. We also discuss considerations for optimal electron microscopy imaging conditions for future studies on whole cells within liquid environments.

Moser, Trevor H. (ORCID:0000000193990514)↗
DOE OSTI2025

Process-Microstructure-Property Relationships in Low Heat Input Wire-Arc Additive Manufacturing (WAAM) of Ni-Based Superalloy Haynes 282

Conference presentation on WAAM process optimization on Ni-based superalloy Haynes® 282®. This alloy is targeted for advanced power generation systems for its superior high temperature mechanical properties. Wire-arc additive manufacturing (WAAM) offers attractive cost and materials savings with high deposition rates. Based on initial build process optimization, WAAM blocks were made, and screened for defects using high-throughput CT scanning. The microstructural evolution in arc energy range of 250-700 J/mm was characterized in the as-built and aged conditions, using electron microscopy. Results showed self-consistent microstructure across conditions, with grain size dependence on arc energy, MC and M6C carbides in as-built, and blocky grain boundary M23C6 in as-heat-treated condition. Further reductions in as-built porosity were explored through 20+ combinations of H2 and CO2 additions to shielding gas. Initial results show improved wetting behavior, and bead overlap with up to 1% H2 and up to 0.25% CO2. Combination of experimentally determined datasets provided comprehensive understanding of process-structure-property relationships in WAAM Haynes 282.

Haynes 282↗
DOE OSTI2020

Optimizing workplace charging facility deployment and smart charging strategies

This study introduces a workplace charging (WPC) optimization model that maximizes the total satisfied electric miles of employees’ plug-in electric vehicles, subject to a given annual budget. The model optimizes both planning decisions of charger number and power levels and operation decisions of charging spot assignment and charging schedule for the given temporal distribution of charging demands and varied electricity prices. Results of experiments based on national average travel data indicate that the actual WPC strategy varies by budget level. Through optimization, the strategy could reduce impacts of the varied electricity price by shifting charging schedules to periods when electricity prices are low. Also, the model is expanded to study the trade-off between providing WPC and addressing consequence of degraded charging service by including the per-mile shadow cost of unsatisfied charging demand. Finally, we observe that their relative competitiveness mainly depends on the actual shadow cost of WPC.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2017

Duration of Androgen Deprivation in Locally Advanced Prostate Cancer: Long-Term Update of NRG Oncology RTOG 9202

Purpose: Trial RTOG 9202 was a phase 3 randomized trial designed to determine the optimal duration of androgen deprivation therapy (ADT) when combined with definitive radiation therapy (RT) in the treatment of locally advanced nonmetastatic adenocarcinoma of the prostate. Long-term follow-up results of this study now available are relevant to the management of this disease. Methods and Materials: Men (N=1554) with adenocarcinoma of the prostate (cT2c-T4, N0-Nx) with a prostate-specific antigen (PSA) <150 ng/mL and no evidence of distant metastasis were randomized (June 1992 to April 1995) to short-term ADT (STAD: 4 months of flutamide 250 mg 3 times per day and goserelin 3.6 mg per month) and definitive RT versus long-term ADT (LTAD: STAD with definitive RT plus an additional 24 months of monthly goserelin). Results: Among 1520 protocol-eligible and evaluable patients, the median follow-up time for this analysis was 19.6 years. In analysis adjusted for prognostic covariates, LTAD improved disease-free survival (29% relative reduction in failure rate, P<.0001), local progression (46% relative reduction, P=.02), distant metastases (36% relative reduction, P<.0001), disease-specific survival (30% relative reduction, P=.003), and overall survival (12% relative reduction, P=.03). Other-cause mortality (non–prostate cancer) did not differ (5% relative reduction, P=.48). Conclusions: LTAD and RT is superior to STAD and RT for the treatment of locally advanced nonmetastatic adenocarcinoma of the prostate and should be considered the standard of care.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Cooperative Research and Development Agreement between National Energy Technology Laboratory and Korea Institute of Energy Research [Abstract]

The Korea Institute of Energy Research (KIER) and the National Energy Technology Laboratory (NETL) intend to collaborate under a CRADA to advance the development of oxy-combustion technology, with an emphasis on process modeling, optimization, and techno-economic analysis. This collaboration will result in the development of a full-scale process model of a commercial oxy-fueled circulating fluid bed combustion (oxy-CFBC) plant, informed from pilot-scale data and built using the Institute for the Design of Advanced Energy Systems (IDAES) process systems engineering framework. It will also generate cost comparisons of the optimized oxyCFBC process with an air-CFBC process with and without carbon capture and sequestration.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2014

Control optimization of the cryoplant warm compressor station for EAST

The cryogenic control system for EAST (Experimental Advanced Superconducting Tokamak) was designed based on DeltaV DCS of Emerson Corporation. The automatic control of the cryoplant warm compressors has been implemented. However, with ever-degrading performance of critical equipment, the cryoplant operation in the partial design conditions makes the control system fluctuate and unstable. In this paper, the warm compressor control system was optimized to eliminate the pressure oscillation based on the expert PID theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Advancing density functional tight-binding method for large organic molecules through equivariant neural networks

Semi-empirical quantum-mechanical (QM) methods have become valuable tools for studying complex (bio)molecular systems due to their balance between computational efficiency and accuracy. A key aspect of these methods is their parameterization, which not only governs the reliability of the results but also provides an opportunity to enhance their overall performance. In our previous work [J. Phys. Chem. Lett., 2021, 11, 16], we advanced the third-order semi-empirical density functional tight-binding (DFTB3) method for computing multiple properties of small molecules by developing the machine learning (ML) potential NN rep to bridge the gap between DFTB3 electronic components and those of the hybrid DFT-PBE0 functional. To overcome the limitations of NN rep , we introduce the EquiDTB framework, which leverages physics-inspired equivariant neural networks (NN) to parameterize scalable and transferable many-body Δ TB potentials, replacing the standard pairwise DFTB repulsive potential. This advancement extends the applicability of our ML-corrected DFTB approach to larger molecules and non-covalent systems (including only C, N, O, and H atoms), going beyond the chemical space represented in the training QM datasets. The enhanced performance of EquiDTB over the standard TB methods is demonstrated by the accurate computation of the atomic forces of S66x8 molecular dimers, as well as their interaction energies. Moreover, EquiDTB can be effectively employed to explore the potential energy surfaces of large and flexible drug-like molecules—for example, to determine the minimum energy path between isomers, analyze structural transitions during dynamical simulations, compute vibrational modes, and investigate energetic rankings. The performance for single molecules slightly decreases when the DFTB electronic energy is reduced to first-order but remains superior to standard TB methods. Our work thus demonstrates that an optimal integration of an equivariant NN with QM datasets can advance the DFTB method while maintaining high efficiency, paving the way for reliable (bio)molecular simulations.

Medrano Sandonas, Leonardo [Technische Universität↗
DOE OSTI2025

Quantum Approximate Optimization Algorithm on Different Qubit Systems

Solving optimization problems is critical across many research domains, but the high dimensionality of parameter spaces often poses significant challenges. The Quantum Approximate Optimization Algorithm (QAOA) has emerged as a promising approach for accelerating optimization in the Noisy Intermediate-Scale Quantum (NISQ) era by leveraging both classical and quantum computational resources. However, its performance can vary depending on the underlying quantum hardware architecture. In this work, we evaluate the performance of QAOA on different quantum hardware platforms, specifically, superconducting transmon qubits and trapped-ion qubits, targetting real-world optimization problems formulated as fully connected Quadratic Unconstrained Binary Optimization (QUBO) instances. We evaluate both the solution quality and time-to-solution using dense QUBO matrices. Furthermore, we show that large-scale problems, such as a 100-bit QUBO instance, can be effectively tackled by integrating quantum computing with high-performance computing (HPC) resources. This study provides practical insights into the strengths and limitations of different qubit technologies and advances the application of quantum computing in solving real-world optimization problems.

Kim, Seongmin [ORNL] (ORCID:0000000159063004)↗
DOE OSTI2020

Advanced Gas Turbine and sCO 2 Combined Cycle Power System (Final Report)

The team of Southwest Research Institute (SwRI), Hanwha Power Systems Americas (HPSA), and Solar Turbines Incorporated (Solar) has worked to develop a modular, highly efficient combined-cycle power system consisting of a supercritical carbon dioxide (sCO 2 )-based waste-heat recovery system (WHRS) coupled to a Solar Titan 130 gas turbine (GT). During Phase 1 of the project, the project team used advanced thermodynamic cycle and techno-economic modeling to find an optimal sCO 2 WHRS bottoming cycle and machinery configuration for a Solar Titan 130. In addition to this, a conceptual design of the machinery and overall system layout was created and technology gaps were identified.

30 DIRECT ENERGY CONVERSION↗