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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Holistic fleet optimization incorporating system design considerations

The methodology described in this article enables a type of holistic fleet optimization that simultaneously considers the composition and activity of a fleet through time as well as the design of individual systems within the fleet. Often, real-world system design optimization and fleet-level acquisition optimization are treated separately due to the prohibitive scale and complexity of each problem. Importantly, this means that fleet-level schedules are typically limited to the inclusion of predefined system configurations and are blind to a rich spectrum of system design alternatives. Similarly, system design optimization often considers a system in isolation from the fleet and is blind to numerous, complex portfolio-level considerations. In reality, these two problems are highly interconnected. To properly address this system-fleet design interdependence, we present a general method for efficiently incorporating multi-objective system design trade-off information into a mixed-integer linear programming (MILP) fleet-level optimization. This work is motivated by the authors' experience with large-scale DOD acquisition portfolios. However, the methodology is general to any application where the fleet-level problem is a MILP and there exists at least one system having a design trade space in which two or more design objectives are parameters in the fleet-level MILP.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Toolpath considerations for 5-axis systems

There have been many studies that show how additive manufacturing (AM) has been able to improve the performance of a component, reduce manufacturing costs, or minimize lead times. As the adoption of AM significantly increased, so did the complexity of designs for AM. Many designs require advanced systems, and in response to this, there is an increasing number of systems now capable of additional degrees of motion. 5-axis systems, which include two rotary axes, are becoming more common in the additive manufacturing community. These systems are capable of depositing material on a nonplanar surface and lend themselves to many industrial applications, further extending the design space for AM. However, computer-aided manufacturing (CAM) for AM has been dominated by 3-axis slicing software that do not typically accomodate 5-axis motion. This chapter introduces 5-axis motion and presents the unique considerations that need to be accounted for when generating toolpath trajectories for 5-axis systems.

Feldhausen, Thomas↗
DOE OSTI2025

Space environment considerations for perovskite solar cell operations: A review

Designing new technology for extraterrestrial applications certainly presents unique challenges. The environmental stressors perovskite-based photovoltaics must overcome will vary with the environment in which they are deployed. One must consider mission requirements when designing photovoltaic devices and packaging. Different space "theaters" can have dramatically different stressors needing consideration for designing panels for solar power generation. Here, in this article, we review the relevant space environmental conditions that must be considered when designing perovskite-based photovoltaic devices for implementation in space. We specifically consider thermal, radiation, gaseous, weather, and other phenomena most relevant to photovoltaic operation for specific theaters such as Low Earth Orbit, Geosynchronous Orbit, Lunar surface, Mars (orbit and surface), and interplanetary exploration pathways.

14 SOLAR ENERGY↗
DOE OSTI2025

Upstream considerations for gas fermentation processes

Gas fermentation enables the production of fuels, chemicals, and foods from gaseous carbon sources and could serve as a technology for valorizing carbon that may otherwise be emitted to the atmosphere. In this review, we focus on upstream feedstock considerations: the supply of carbon and the supply of electrical power. Electrical power serves a dual role, providing both process energy and biochemical redox potential (via hydrogen or reduced intermediates). We define gas fermentation as bioprocesses involving gaseous feedstocks metabolized by microbes, distinct from microbial electrosynthesis. Trends in CO 2 point sources and low-carbon electricity systems are analyzed, highlighting opportunities and challenges for future deployment. This review synthesizes current knowledge and identifies key R&D priorities for process integration at industrial scale.

09 BIOMASS FUELS↗
DOE OSTI2025

Additional considerations in analytical solution for time-dependent heat conduction in a three-dimensional multilayer sphere

This work presents an analytical method to solve the heat conduction equation in three dimensions for problems consisting of multilayer concentric spheres. The method can be used to treat time-varying heat conduction problems where the heat source that drives the transient is time-invariant. Equally applicable to all Poisson-type problems with concentric spherical geometry, the method consists of representing the solution as a summation of weighted eigenfunctions. The weights for each eigenfunction are computed algebraically. Previous work has already established the core constituents of the methodology. The current work augments the existing methods by including consideration of nonzero interface resistance between layers and explicit discussion on the boundary condition homogenization required to treat inhomogeneous problems. Also, two demonstration problems are presented. One demonstration problem is based on the method of manufactured solutions and therefore allows for comparison with exact expressions for the solution temperature distribution. The second, more complex, demonstration problem relies on the finite element method for comparisons. The expected convergence behavior is observed for both demonstration problems.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Design and permitting considerations of a floating hydrogen production and dispensing Barge for the Port of San Francisco

This paper reports on the design of a Floating Hydrogen Production and Dispensing Barge destined for the Port of San Francisco (SF). The H 2 Barge is designed to produce renewable H 2 at the rate of ∼530 kg/day, storing 512 kg of hydrogen at 517-bar, allowing fast refueling of hydrogen fuel cell vessels and land-side hydrogen delivery trailers for distribution into the nascent SF hydrogen ecosystem. The broader considerations that impacted H 2 Barge design are also described. An account is given of a new review process formulated by the United States Coast Guard (USCG) to review this first-of-its-kind maritime implementation of hydrogen technology. Furthermore, the immediate goals of the H 2 Barge Project are to 1) demonstrate the feasibility, viability and methods of hydrogen production, storage and fueling in a maritime context, 2) help shape (where needed) and navigate the required local, state and federal regulatory gauntlet and 3) catalyze a “green hydrogen ecosystem” (both marine and landside) with locally produced renewable hydrogen at the San Francisco waterfront.

08 HYDROGEN↗
DOE OSTI2022

Critical review of the Mogi failure criterion based on true-triaxial laboratory data analysis and theoretical considerations

The influence of the intermediate principal stress, σ 2 , is disregarded when rock strength is analyzed using the Mohr-Coulomb or Hoek-Brown criteria. Several polyaxial strength criteria have been proposed to account for the influence of σ 2 . One of the methods that received considerable attention is the Mogi criterion. The criterion modifies the Nadai or Drucker-Prager approaches by exchanging the normal octahedral stress with what is introduced as the mean effective stress, σ m,2 . This change is based on experimental evidence that the influence of the intermediate principal stress on strength is less pronounced than the influence of the minimum principal stress. However, the Mogi criterion was derived somewhat empirically and consequently it is essential to analyze its potential theoretical deficiencies. In the current note, we analyzed the Mogi failure criterion, describing its characteristics in both τ oct –σ m,2 and σ 1 -σ 2 spaces. We investigated the relation between Mohr-Coulomb and Mogi criteria, which marks the basis for the commonly used Mogi-Coulomb approach. Here, we compared the performance of the Mogi criterion against available polyaxial strength data using three fitting approaches: Mogi-Coulomb based on triaxial compression results only, linear Mogi based on all polyaxial strength results, and power law Mogi also based on all data. The analysis reveals several serious deficiencies of the Mogi approach which all suggest that the Mogi criterion cannot properly represent the σ 2 dependence of rock strength in many cases.

58 GEOSCIENCES↗
DOE OSTI2021

Regulatory Considerations in the Development of Radiation-Drug Combinations

Radiation therapy remains a fundamental treatment for patients with cancer. Despite an increasing number of targeted molecular therapies that are US Food and Drug Administration (FDA)-approved for the treatment of patients with metastatic disease, there has been very little progress made in terms of drugs used concurrently with radiation. This article reviews the existing regulatory framework in which cancer drugs may be developed for use in combination with radiation therapy from the perspective of the FDA. To briefly summarize: (1) nonclinical studies are a critical first step to ensure that drugs are safe for use in humans; however, additional nonclinical studies of a drug with radiation may not be required before a clinical trial in combination with radiation as long as the safety profile of the drug has been characterized in humans. The FDA determines the quality of evidence required before studying a drug in combination with radiation on a case-by-case basis. (2) Although often impractical to consider late toxicities during dose-escalation, late adverse events should be captured and taken into consideration when determining the final dose and schedule to take forward during drug development. (3) There are a number of expedited programs for cancer drug development, including accelerated approval, a conditional approval that allows for use of earlier clinical endpoints when the data suggests a clinically meaningful improvement over available therapy. (4) The Agency encourages sponsors to discuss their development plan with the appropriate FDA review division in formal regulatory meetings.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Design considerations for high entropy alloys in advanced nuclear applications

The demanding operating environments of advanced nuclear reactors require the development of new nuclear materials that can withstand their increased physical, chemical, thermal, and radiation-related challenges. High-entropy alloys (HEAs) have shown often-impressive mechanical, thermomechanical, and corrosion-resistant properties, and offer a massive, unexplored compositional space which allows for the targeted development of application-specific materials. Furthermore, although still in a nascent stage, research has shown that HEAs may exhibit unique irradiation tolerance, including reduced defect production and resistance to irradiation-induced swelling and hardening. The mechanisms behind this increased tolerance are not yet well-understood, although the HEA-specific attributes of a complex energy landscape, reduced thermal conductivity, and shift in defect migration energies and pathways provide promising explanations. Here this work assesses the current and future challenges faced by structural nuclear materials, identifying the specific applications in which HEAs may provide a competitive advantage compared to industry-standard materials with the aid of Ashby material selection maps. Considerations are provided for the design of future nuclear HEAs, including calculations of nuclear-relevant properties to assist in the initial down-selection of elements depending on application requirements (e.g., low neutron capture for in-core applications), narrowing the existing compositional space of HEAs to a manageable scope.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Multi-modal tomographic imaging system for poolside characterization of nuclear test fuels: Design considerations and studies

Testing and qualification of advanced nuclear fuels involves an iterative process of prototyping, in-pile irradiation testing, and in-situ or ex-situ examination. Fuel restructuring and fission product migration during burnup are among the most important aspects of fuel evolution that affect several important performance characteristics such as heat removal, accident tolerance, and fission product retention. Pool-side non-destructive characterization techniques provide fuel developers with tools to understand fuel evolution at different points of burnup. A design for a compact, submersible, and multi-modal gamma-ray tomography system for imaging irradiated nuclear fuel is presented here. Detector selection, collimator geometry and fabrication, mechanical design, imaging protocol and acquisition speed are discussed. Modeling calculations show that sub-millimeter resolution can be achieved in both transmission computed tomography images as well as in emission computed tomography images in a matter of hours. Several design compromises and fabrication challenges are discussed which should be taken into consideration for future submersible gamma-ray tomography instruments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Design considerations for colliders using co-moving beams for fusion cross section research

Collisions between beams moving in the same direction but with different velocities allow for low center of mass energy collisions with higher energy beams. These types of systems lend themselves to fusion interactions since they require low center of mass kinetic energies but can benefit from higher energies in the constituent beams. Here we cover the design considerations for a machine that could study these types of interactions. Furthermore, we especially highlight reactants that can be stored and collided in a single ring, using a collision timing system known as gear-changing, which could allow for a proof-of-concept experiment in an existing machine.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Review of molten salt reactor off-gas management considerations

Molten salt reactors offer a wide range of potential benefits but pose some unique challenges, particularly for designs that use an unclad liquid salt fuel. This type of fuel will result in the transport of fission gases into the headspace of the reactor where in some designs a cover gas can be circulated to remove certain fission products and maintain an inert atmosphere. The cover gas leaving the reactor core is expected to contain both noble and non-noble gases, aerosols, volatile species, tritium, radionuclides, and their daughters. To remove these radioactive gases, it is necessary to develop a robust off-gas system for molten salt–fueled reactors. Various treatment systems must be staged in series to remove the off-gas constituents from the stream before recirculating the gas back to the headspace of the reactor. Treatment options vary greatly depending on what they are designed to remove from the gas stream. This paper reviews the anticipated composition of a typical molten salt reactor off-gas stream and subsequently the available resources that could be employed to remove these species from the gas stream. An example off-gas system is then detailed, along with important design considerations, exemplifying the necessity for high-fidelity modeling. Lastly, the need for further thermophysical property research and the employment of advanced sensor technology for treatment component testing are discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Key Experimental Considerations When Evaluating Functional Ionic Liquids for Combined Capture and Electrochemical Conversion of CO 2

Ionic liquids (ILs) are considered functional electrolytes for the electrocatalytic reduction of CO 2 (ECO 2 R) due to their role in the double-layer structure formation and increased CO 2 availability at the electrode surface, which reduces the voltage requirement. However, not all ILs are the same, considering the purity and degree of the functionality of the IL. Further, there are critical experimental factors that impact the evaluation of ILs for ECO 2 R including the reference electrode, working electrode construction, cosolvent selection, cell geometry, and whether the electrochemical cell is a single compartment or a divided cell. Here, we describe improved synthesis methods of imidazolium cyanopyrrolide IL for electrochemical studies in consideration of precursor composition and reaction time. We explored how IL with cosolvents (i.e. acetonitrile, dimethylformamide, dimethyl sulfoxide, propylene carbonate, and n-methyl-2-pyrrolidone) affects conductivity, CO 2 mass transport, and ECO 2 R activation overpotential together with the effects of electrode materials (Sn, Ag, Au, and glassy carbon). Acetonitrile was found to be the best solvent for lowering the onset potential and increasing the catalytic current density for the production of CO owing to the enhanced ion mobility in combination with the silver electrode. Further, the ECO 2 R activity of molecular catalysts Ni(cyclam)Cl 2 and iron tetraphenylsulfonato porphyrin (FeTPPS) on the carbon cloth electrode maintained high Faradaic efficiencies for CO in the presence of the IL. This study presents best practices for examining nontraditional multifunctional electrolytes amenable to integrated CO 2 capture and conversion technologies for homogeneous and heterogeneous ECO 2 R.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Holistic Design Consideration of Metal–Organic Framework-Based Composite Membranes for Lithium–Sulfur Batteries

Metal–organic framework (MOF)-based membranes have received significant attention as separators for lithium–sulfur (Li–S) batteries because of their high porosities, well-defined and tailored structures, and other tunable features that are desirable for preventing the “shuttle effect” of soluble polysulfides. Because of the insulating nature of most MOFs, composite membranes are generally constructed by a combination of MOFs and electron-conductive materials. In this work, we examine the property–performance relation between MOF-based separators and Li–S batteries by systematically adjusting the electrical conductivity, thickness, and mass loading of the MOF-based composite. Beyond the commonly referenced trapping or blocking ability of MOFs toward polysulfides, we find that by fixing the thickness of the MOF-based composite coating layer (~40 μm) on a Celgard membrane, the electrical conductivity of the MOF composite layer is of paramount importance compared with the physical/ chemical trapping ability of polysulfides. However, the trapping ability of MOFs becomes indispensable when the thickness of the composite layer is small (e.g., ~20 μm), indicating the synergetic effects of the adsorption and conversion capabilities of the thin composite layer. Furthermore, this work suggests the importance of a holistic design consideration for a MOF-based membrane for long-life and high-energy-density Li–S batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Practical Considerations for Understanding Surface Reaction Mechanisms Involved in Heterogeneous Catalysis

Acquiring useful knowledge about the active site(s) of a catalyst, nature of reactant–catalyst interactions, nature of reactive intermediates, rate-determining step, reaction rate orders that affect various process parameters, and reaction mechanism as a whole is exceedingly challenging. This is especially true in the case of heterogeneous catalysts due to the complexity of the nature of surface active sites and their nonstatic behavior. Here, we present our perspective on differentiating between various surface reaction mechanisms in light of pioneering studies by leaders in the field, with the aim of clarifying some of the confusion associated with these complex mechanisms, especially the Eley–Rideal mechanism. Using bibliometric analysis, we identify and discuss the following four reactions that most commonly invoke the Eley– Rideal mechanism: H 2 activation, CO oxidation, esterification of alcohols by acids, and selective catalytic reduction (SCR) of NO x with NH 3 . Our analysis of studies utilizing well-suited experimental and computational methodologies for differentiating surface reaction mechanisms suggests that the above-mentioned four reactions do not occur via the Eley–Rideal mechanism. Instead, each reaction occurs via the Langmuir–Hinshelwood mechanism with nonidealities present. Lastly, we highlight practical considerations regarding select experimental (characterization methods and differential kinetics) and computational modeling that we believe can provide useful insights to accurately discern between the various possible reaction mechanisms in heterogeneous catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Spin-State and Reorganization Energy Considerations for Metal-Centered Photoredox Catalysis

Transition-metal complexes featuring metal-centered excited states have recently emerged as mechanistically distinct platforms for selective photochemistry, including photoredox catalysis. Among these, Co(III) complexes have demonstrated productive photoinduced electron transfer via the 3 T 1 metal-centered state. In contrast, photoreactivity from the 5 T 2 metal-centered state in Fe(II) polypyridyl complexes remains limited. Building on our prior report concerning reactivity associated with the 5 T 2 state in [Fe(tren(py) 3 )] 2+ (tren(py) 3 = tris(2-pyridylmethyliminoethyl)-amine), we introduced stronger-field ligands in an effort to increase excited-state energies of Fe(II) polypyridyl complexes and enhance reactivity. Despite achieving nanosecond-scale excited-state lifetimes and favorable thermodynamic driving forces, no photoreactivity was observed. Reinvestigation of the observations previously reported for [Fe(tren(py) 3 )] 2+ revealed interactions between the metal complex and the substrate in their respective ground states that mimicked dynamic quenching of the chromophore, prompting a reassessment of mechanistic considerations inherent in leveraging reductive chemistry from the 5 T 2 excited state of Fe(II). Our analysis indicates that electron transfer from the 5 T 2 excited state of a low-spin d6 metal is subject to significant barriers both in terms of reorganization energies and spin conservation that undermines its ability to act as an electron donor for photoredox catalysis. In contrast, ligand fields that are sufficient to stabilize the 3 T 1 excited state have available to them numerous spin-allowed and, in certain cases, near-barrierless pathways to engage in excited-state electron transfer (both oxidative and reductive depending on the identity of the metal). These results highlight the critical role of spin-state changes and their associated reorganization energy requirements in metal-centered photoredox catalysis.

charge transfer↗
DOE OSTI2021

Consideration of Initial Cloud Droplet Size Distribution Shapes in Quantifying Different Entrainment-Mixing Mechanisms

Entrainment-mixing process significantly affects cloud micro/macrophysics and the evaluation of aerosol indirect effects. However, it remains an open question as to how to quantify entrainment-mixing mechanism for broad cloud droplet size distributions (CDSDs). Here, CDSDs with different spectral widths are used to initialize the Explicit Mixing Parcel Model to address this problem, and microphysical properties are compared for different CDSD widths. For relatively broad CDSDs, as the number concentration and liquid water content decrease, the volume-mean radius and mean radius increase, which is opposite to the scenario for relatively narrow CDSDs and the homogeneous/inhomogeneous conceptual model. For the relatively broad CDSDs, such relationships could be mistaken as inhomogeneous mixing with subsequent ascent in analysis of the conventional microphysical mixing diagram. This then causes traditional homogenous mixing degrees to be unrealistically negative and not applicable for relatively broad CDSDs. New measures are introduced to explicitly account for the effect of CDSD spectral shapes on quantifying entrainment-mixing mechanism. The new measures yield reasonable ranges of values that conform to the dynamical measures such as the Damköhler and transitional scale numbers, and their temporal variation can be explained physically. This study extends the measures of homogeneous mixing degrees from narrow to broad CDSDs, and sheds new light on the consideration of CDSD shapes in parameterizations of entrainment-mixing mechanism.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Iodine solid sorbent design: a literature review of the critical criteria for consideration

Designing sorbents for iodine capture in different conditions requires selection and optimization of a large and diverse range of variables. These variables fall into general categories (or features) of sorbent activity, sorbent stability, and the fate of the loaded material in terms of the disposal (waste form) options available. To illustrate, silver-loaded, high-porosity sorbents make for maximized iodine capture and less pressure drop in a column-based sorption system approach, however, this high porosity can lead to less mechanically stable sorbents. Additionally, waste forms containing silver must also be compliant with additional criteria for hazardous waste disposal. Thus, all these aspects must be considered simultaneously when selecting a sorbent for utilization under specific conditions. Information is given for different types of sorbent design considerations for different operating conditions and some emphasis is also given on promising alternatives for silver as the active (chemisorption-based) getter metal. Discussion is given around demonstrated options for waste forms for different metal-iodide compounds.

36 MATERIALS SCIENCE↗