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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Synthesis and Characterization of Methacrylamide-Based Block Random Copolymers via Amine Functionalization of Polystyrene- Block -Poly(Pentafluorophenyl Methacrylate) Toward Enhanced Amenability to Manufacturing Criteria in Nanolithography

Recent interest in manipulating the chemistry of block copolymers (BCPs) to manage the covarying properties necessary to meet manufacturing criteria in nanolithography has resulted in the development and expansion of the A-block-(B-random-C) BCP architecture, where the random block allows for the decoupling of thermodynamic and wetting properties. Previous reports of such BCPs have used click chemistry to create the desired random block, but all such instances possess additional functional groups that are susceptible to undesirable side reactions upon annealing, such as cross-linking and surface grafting. This study reports the substitution reaction of polystyrene-block-poly(pentafluorophenyl methacrylate) (PS-b-PPFMA) with primary amines. The resulting methacrylamide structure of the functionalized random block has only an amide linkage between the attached functional group and the polymer backbone, thereby omitting any sources of side reactions within the BCP. The outcomes of this report also demonstrate the enhanced thermal stability of these materials by virtue of their stable amide bonds. A range of random copolymer compositions is assessed to develop BCPs in which the random block has approximately the same surface energy as the PS block. These BCPs can self-assemble into perpendicular lamellae and are therefore promising candidates for directed self-assembly.

block copolymers↗
DOE OSTI2022

Strain localization criteria for viscoplastic geomaterials

This report presents a viscoplastic localization criterion to detect quasi-instantaneous (i.e., load-induced) and delayed (creep-induced) strain localization in rate-dependent solids. The study is based on the theory of controllability and a viscoplastic description of the mechanical response. Analytical precursors of unstable states are defined through systems of ordinary differential equations (OEDs). The use of the proposed criteria is illustrated at the material point level through a set of strain localization analyses simulating active strain localization of a porous rock. In addition, full-field finite element simulations of compression tests conducted under various pressures are reported to demonstrate the role of local unstable viscoplasticity in the spontaneous propagation of deformation bands under stationary boundary conditions. The study shows that the viscoplastic localization criterion maintains a negative sign as long as the behavior is unstable, that is, the rate of deformation is accelerating. The sign switch coincides with the transition to decelerating deformation. The analyses revealed that pulses of overstress always emerge in correspondence with the growth of unstable behavior, and the peak matches the transition to stable behavior. The local responses recovered from full-field analyses were consistent with those observed in analyses at material point level and the predictions of the presented theory.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Revisiting Wagner’s Criteria to Predict Establishment and Retention of Alumina Scales on Ternary NiCrAl Alloys

Despite the advent of numerical modeling approaches and high-performance computing infrastructure, the design and development of corrosion-resistant high temperature alloys (> 500 °C) continue to be largely empirical and typically involve extensive experimentation. This is mainly due to the lack of a single unified physics-based model that can address the impact of multiple competing factors such as time, environment, alloy composition, microstructure, and geometry. The classical Wagner’s criteria have been foundational to estimate the minimum concentrations required of an oxide-forming element to establish and sustain a protective oxide scale. However, the formulation is primarily limited to lower-order alloy systems (binary alloys) and ignores the time dependence of subsurface compositional changes in the alloy. The lack of key data on the temperature and composition dependence of the solubility and transport of oxidants in multicomponent-multiphase alloys further exacerbates the problem. In the present work, a few of these limitations were addressed using a flux-based approach (FLAP) which tracks the spatiotemporal evolution of the fundamental flux balance between oxygen and the oxide-forming elements to enable the prediction of the formation of an external alumina scale in ternary NiCrAl alloys. In conclusion, the modeling results were validated with the literature findings and additional experimental work conducted in the present work.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Methodology to determine printability criteria of highly concentrated pastes through rheological characterization

Material extrusion is an additive manufacturing technique that enables the creation of reproducible and complex hardware by depositing a viscous, shear-thinning ink onto a substrate in a custom-pattern via extrusion through a syringe. Here, the ability of an ink to be extruded onto a substrate in many layers, and maintain the desired shape is what defines the printability. Printability is often investigated by formulating, printing, and postmortem analysis of final parts in an iterative manner. Investigations of printability through rheological characterization have often been concerned with inks that straddle the line between printable and too thin, leaving out an entire class of inks that are highly-filled pastes, where extrudability is the limiting factor. Highly-filled pastes continue to pose issues for researchers as the effect of filler morphology, size, loading, and packing fraction on the ink rheology and corresponding printability is not understood. While traditional rheological characterizations may be useful for some inks, we show that protocols utilizing steady-shear, or large-amplitude oscillatory shear are difficult and unreliable for highly-filled pastes. Through transient rheology paired with real-time images we show that each traditional protocol produces inhomogeneous deformations that violate the assumptions that underly common rheological definitions. Instead, we demonstrate metrics measured with small-amplitude oscillatory shear that are correlated to the printability of various ink formulations ranging in loading. The rheological measures that accurately predict the printability of the inks are the axial stress measured at small amplitudes, and the critical stress amplitude above which rheological characterizations become impossible. In addition, we estimate the maximum packing fraction for each filler, based on the exponent common to hard sphere models, and show that the printability of each ink can be predicted by the ratio of the packing fraction to the theoretical maximum. We show how small-amplitude oscillatory shear allows users to develop printability criteria for any ink to enhance the workflow in the development of new inks, increase the performance of material extrusion printing, and improve the stability of printed parts, with less wasted time and materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Combustion, criteria pollutant and soot property assessment of mixing-controlled high-load engine operation with gasoline and diesel

Gasoline compression ignition (GCI) is an emerging technology that can achieve high fuel efficiency and low criteria emissions in diesel engine platforms using gasoline and gasoline-like fuels. While low- and mid-range loads are enabled with low temperature combustion (LTC) approaches, high-loads are more efficient with high temperature combustion (HTC) requiring mixing-controlled combustion (MCC). Lower soot emissions are achieved with gasoline even in high-load MCC than with diesel, but detailed soot properties from gasoline and diesel have been rarely discussed. In order to better understand how high-load operations affect soot properties, in this study gasoline and diesel were tested in a six-cylinder heavy duty engine at 14 bar brake mean effective pressure (BMEP) at similar combustion phasing. Effects of pilot mass ratio and EGR on heat release rates, cylinder temperatures, ignition delay (ID) and combustion duration (CD) were examined, relating with emissions variations with applications of the two fuels. Soot mass and particle number emissions were slightly lower with gasoline than with diesel, resulting in a more favorable NOx-soot trade-off with gasoline like other reports. Contrary to other findings in the literature, gasoline and diesel soot samples presented similar particle distribution shapes, carbon crystalline structures and primary particle sizes, regardless of fuel type and EGR rate. Consequently, the current result proposes that soot particles have undergone similar soot formation and oxidation processes despite reactivity difference and oxygen availability under the examined high-load MCC with similar combustion phases.

02 PETROLEUM↗
DOE OSTI2021

Executive Summary of the American Radium Society Appropriate Use Criteria for Operable Esophageal and Gastroesophageal Junction Adenocarcinoma: Systematic Review and Guidelines

Limited guidance exists regarding the relative effectiveness of treatment options for nonmetastatic, operable patients with adenocarcinoma of the esophagus or gastroesophageal junction (GEJ). In this systematic review, the American Radium Society (ARS) gastrointestinal expert panel convened to develop Appropriate Use Criteria (AUC) evaluating how neoadjuvant and/or adjuvant treatment regimens compared with each other, surgery alone, or definitive chemoradiation in terms of response to therapy, quality of life, and oncologic outcomes.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2023

First-Principles Examination of Multiple Criteria of Organic Solvent Oxidative Stability in Batteries

Oxidative instability of the liquid electrolyte at or near battery cathode oxide surfaces has significant detrimental effects on batteries. Organic solvent molecules are often the fuel and precursors of such degradation processes, releasing electrons and protons that react with cathode oxides and electrolyte anions. These reactions contribute to cathode–electrolyte interphase (CEI) film formation, transition-metal ion dissolution, and phase transformation of the surface regions of the cathode. Here we apply density functional theory calculations to examine four criteria of oxidative stability (oxidation potential, hydrogen removal energies, and initial reactivity on two types of oxide facets) using four different solvent/additive molecules (ethylene carbonate, fluoroethylene carbonate, 1,3-dioxolane, and dimethyl ether). The ranking of molecular stability differs with each criterion. Surprisingly, the all-oxygen-terminated basal planes of layered oxides exhibit lower reaction barriers than spinel surface facets with exposed transition-metal cations, especially for ether solvents; the calculations also suggest basal planes contribute to the dissolution of transition-metal ions. Further, the structure–degradation relation complexity underscores the challenge of understanding the function of the CEI but also offers a guide to future degradation-mitigation strategies including facet engineering. Our predictions and models help establish a framework for future studies relevant to high-voltage conditions.

25 ENERGY STORAGE↗
DOE OSTI2026

Technology Impact and Resource Assessment of Existing and Planned U.S. Biofuel Production: Life Cycle Water Consumption, Water Stress, Land Use, and Criteria Air Pollutants

Biofuels have the potential to strengthen the U.S. energy supply, enhance energy security, and promote economic development. As the United States continues to expand biofuel production, quantifying resource requirements and location-specific constraints is crucial for planning, siting, and technology development to support long-term viability. Accordingly, this work assesses the life cycle resource consumption (water consumption, and land use), water stress and criteria air pollutants associated with expanded U.S. biofuel production over the 2020–2035 period, based on producers’ plans. We perform a bottom-up technology impact assessment and resource assessment by integrating facility-level production statistics with Argonne’s Research and Development (R&D) GREET model and county-level water-stress characterization factors from Available Water Remaining for the United States (AWARE-US) model. Results suggest that by 2035, biofuels could meaningfully contribute to U.S. energy demand, driven primarily by first-generation and waste-based feedstocks with plans for substantial capacity expansion, although cellulosic and e-fuel technologies remain limited. However, growth must be managed to minimize impacts on water resources and land use. These impacts vary by fuel type and facility location, specifically, projected expansion increases water consumption and can elevate water-stress impacts in certain regions like Nebraska, Kansas, Colorado, Idaho, California and North Texas. Direct land use also increases overall, particularly for first-generation feedstocks such as corn and soybeans. These findings underscore the need for continued technological improvements and innovative strategies to manage resource demands as the industry scales and to support complementary deployment within the evolving U.S. energy system.

09 BIOMASS FUELS↗
DOE OSTI2023

Stability Criteria for Self-Propagating Reaction Waves in Co/Al Multilayers

The propagation of self-sustained formation reactions in sputter-deposited Co/Al multilayers is known to exhibit a design-dependent instability. Multilayers having thin bilayers (<55 nm period) exhibit stable propagating waves, whereas those with a larger period react unstably. The specific two-dimensional (2D) instability observed involves the transverse propagation of a band in front of a stalled front commonly referred to as a “spin band.” Previous finite-element studies have shown that these instabilities are thermodynamically driven by the forward conduction of heat away from the flame front. However, the magnitude of that loss is inherently tied to the bilayer design in traditional bimetallic multilayers, which couples any proposed stability criteria to a varying critical diffusion distance. Here, this work utilizes a recently developed class of materials known as “inert-mediated reactive multilayers” to decouple the thermodynamic and kinetic contributions to propagating wave stability by reducing the stored chemical energy density in normally stable bilayer designs. By depositing an inert product phase (B2-CoAl) within the mid-plane of Co and Al reactant layers, spin instabilities arise as a function of both diluted volume and critical diffusion distance. From there, a stability criterion is determined for Co/Al multilayers based on enthalpy loss from the reaction zone, and its physical significance is explored.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Design Criteria of Dilute Ether Electrolytes toward Reversible and Fast Intercalation Chemistry of Graphite Anode in Li-Ion Batteries

To date, dilute ether electrolytes have been believed to be incompatible with graphite in Li-ion batteries due to the detrimental solvent cointercalation and graphite exfoliation. Here, in this paper, we provide design criteria of dilute ether electrolytes for a reversible graphite anode based on tailoring the solvation structures and thermodynamic properties. We clarify that ether solvents can support graphite reversibly by modulating the anion. Our redesigned electrolyte consisting of a single-solvent 1,3-dioxolane (DOL) and 1 M single-salt lithium bis(fluorosulfonyl)imide (LiFSI) shows weakened Li-solvent interaction and results in an inorganic-rich solid-electrolyte interphase. Consequently, we achieved ~99.9% Coulombic efficiency with >96% capacity retention (~350 mAh/g) after 300 cycles at C/5 using natural graphite. The weakly solvated electrolyte maintains desirable transport properties, enabling better rate capability than carbonate electrolytes with an areal capacity of 2–4 mAh/cm 2 . We have demonstrated the potential of dilute ether electrolytes for facile desolvation-based intercalation chemistry in graphite, creating a viable path toward fast-charge Li batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

New criteria for efficient Raman and Brillouin amplification of laser beams in plasma

Raman or Brillouin amplification of a laser beam in plasma has long been seen as a way to reach multi-PW powers in compact laser systems. However, no significant plasma-based Raman amplification of a laser pulse beyond 0.1 TW has been achieved in nearly 20 years, and only one report of Brillouin amplification beyond 1 TW. In this paper, we reveal novel non-linear criteria for the initial seed pulse that will finally open the door to efficient Raman and Brillouin amplification to petawatt powers and Joule-level energies. We show that the triple product of the coupling constant \(\Gamma \) , seed pulse duration \(\tau \) and seed pulse amplitude a for the Raman seed pulse (or \(a^{2/3}\) for Brillouin) must exceed a specific minimum threshold for efficient amplification. We also analyze the plasma-based Raman and Brillouin amplification experiments to date, and show that the seed pulses used in nearly all experiments are well below our new threshold, which explains the poor efficiency obtained in them. Finally, we analyze a recent Brillouin amplification experiment that used increased seed pulse power to obtain Joule-level amplification, and find excellent agreement with our theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
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↗
DOE OSTI2022

Solvent selection criteria for temperature-resilient lithium–sulfur batteries

All-climate temperature operation capability and increased energy density have been recognized as two crucial targets, but they are rarely achieved together in rechargeable lithium (Li) batteries. Herein, we demonstrate an electrolyte system by using monodentate dibutyl ether with both low melting and high boiling points as the sole solvent. Its weak solvation endows an aggregate solvation structure and low solubility toward polysulfide species in a relatively low electrolyte concentration (2 mol L −1 ). These features were found to be vital in avoiding dendrite growth and enabling Li metal Coulombic efficiencies of 99.0%, 98.2%, and 98.7% at 23 °C, −40 °C, and 50 °C, respectively. Pouch cells employing thin Li metal (50 μm) and high-loading sulfurized polyacrylonitrile (3.3 mAh cm −2 ) cathodes (negative-to-positive capacity ratio = 2) output 87.5% and 115.9% of their room temperature capacity at −40 °C and 50 °C, respectively. This work provides solvent-based design criteria for a wide temperature range Li-sulfur pouch cells.

25 ENERGY STORAGE↗
DOE OSTI2021

Variations in pharmacokinetic-pharmacodynamic target values across MICs and their potential impact on determination of susceptibility test interpretive criteria

Abstract Background An antibacterial drug’s susceptibility test interpretive criteria (STIC) are determined by integrating clinical, microbiological and pharmacokinetic-pharmacodynamic (PK-PD) data. PTA analysis plays a pivotal or supportive role in STIC determination and is heavily dependent on the PK-PD target values determined from animal PK-PD studies. Therefore, variations in PK-PD target values may impact STIC determination. Factors contributing to variation in the PK-PD target values include the number of and MICs for bacterial isolates used in animal PK-PD studies. Objectives To analyse the relationship between PK-PD target values and MICs, describe the variations in PK-PD target values of isolates and evaluate whether the proposed/target STICs were within the ranges of the MICs for isolates used in animal PK-PD studies. Methods A database was compiled for this research by screening animal PK-PD study reports submitted to the FDA from 10 new drug applications (NDAs). Results A relationship evaluation between PK-PD target values and MICs for tested isolates for seven drugs (that used AUC/MIC ratio as the PK-PD index) showed that, generally, the AUC/MIC values decreased with an increase in MIC. These target values were highly variable, with the percentage coefficient of variation ranging between 1% and 132% for isolates having the same MIC. For 16/27 (59%) drug/bacteria combinations from all 10 drugs, the proposed/target STICs were higher than the highest MIC for bacteria isolates evaluated, while 6/27 (22.5%) were lower. Conclusions This research suggests that careful considerations related to selection of bacterial isolates for animal PK-PD studies could strengthen the STIC determination process.

Waack, Ursula↗
DOE OSTI2021

A Stochastic Multi-Criteria Decision-Making Algorithm for Dynamic Load Prioritization in Grid-Interactive Efficient Buildings

Increasing deployment of advanced sensing, controls, and communication infrastructure enables buildings to provide services to the power grid, leading to the concept of grid-interactive efficient buildings. Since occupant activities and preferences primarily drive the availability and operational flexibility of building devices, there is a critical need to develop occupant-centric approaches that prioritize devices for providing grid services, while maintaining the desired end-use quality of service. In this paper, we present a decision-making framework that facilitates a building owner/operator to effectively prioritize loads for curtailment service under uncertainties, while minimizing any adverse impact on the occupants. The proposed framework uses a stochastic (Markov) model to represent the probabilistic behavior of device usage from power consumption data, and a load prioritization algorithm that dynamically ranks building loads using a stochastic multi-criteria decision-making algorithm. The proposed load prioritization framework is illustrated via numerical simulations in a residential building use-case, including plug-loads, air-conditioners, and plug-in electric vehicle chargers, in the context of load curtailment as a grid service. Suitable metrics are proposed to evaluate the closed-loop performance of the proposed prioritization algorithm under various scenarios and design choices. Scalability of the proposed algorithm is established via computational analysis, while time-series plots are used for intuitive explanation of the ranking choices.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Structures, Systems, and Components Classification Criteria for the Versatile Test Reactor

The Versatile Test Reactor (VTR) is a fast spectrum test reactor currently being developed in the United States under the direction of the US Department of Energy (DOE), Office of Nuclear Energy. The VTR mission is to enable accelerated testing of advanced reactor fuels and materials required for advanced reactor technologies. The conceptual design of the 300 MWth sodium-cooled metallic-fueled pool-type fast reactor has been led by the U.S. National Laboratories in collaboration with General Electric-Hitachi and Bechtel National Inc. As part of the VTR authorization process by the DOE, it is necessary to identify the safety classification of structures, systems, and components (SSCs) to determine the proper design, surveillance, operation, and incident-reporting requirements. Since VTR is utilizing a risk-informed, performance-based authorization process based on the Licensing Modernization Project (LMP) described in NEI 18-04 [1], the criteria for SSC classification, which are reviewed here, includes both risk information from the probabilistic risk assessment (PRA) and prescriptive requirements.

Grabaskas, David↗
DOE OSTI2022

Development of Principal Design Criteria of the Fast Modular Reactor

General Atomics Electromagnetic Systems (GA-EMS) is developing a 50-megawatt electric (MWe) helium-cooled Fast Modular Reactor (FMR). The project has been selected by the U.S. Department of Energy (DOE) for Advanced Reactor Concepts-20 (ARC-20). The long-term goal of the project is to design, license, and commercialize the FMR plant by the mid-2030s. Early engagement with the U.S. Nuclear Regulatory Commission (NRC) is an important step for the developers to license the advanced reactors including the FMR. As an effort to support the design and the preapplication regulatory engagement plan, GA-EMS is developing Principal Design Criteria (PDC) applicable to the FMR design.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Update of Emission Factors of Greenhouse Gases and Criteria Air Pollutants, and Generation Efficiencies of the U.S. Electricity Generation Sector

The last decade has seen a steady evolution of the electricity generation sector. Fuels used for electricity generation have shifted from coal to cleaner energy sources such as natural gas and renewables including solar, wind, and other renewable sources. The share of U.S. electricity generated from coal decreased from 45% in 2010 to 24% in 2019, and is expected to decrease further to 13% by 2050. The conversion efficiency of electricity generation has also increased gradually for fuels such as natural gas due as less-efficient old generators are retired and more-efficient generators replace them. These changes in the electricity generation industry are likely to cause changes in the emissions from power generation units. Emission factors of greenhouse gases (GHG) including CO 2 , CH 4 , and N 2 O, and criteria air pollutants (CAPs) including CO, NO x , PM 10 , PM 2.5 , and SO x , from power plants are important parameters for estimating life-cycle emissions associated with vehicle electrification, energy systems, and the production of materials and chemicals. The electricity generation technologies and associated emission factors in the Greenhouse Gases, Regulated Emissions, and Energy Use in Technologies (GREET) model need to be updated to reflect recent developments in the electricity generation sector. The most recent update of the electricity generation emission factors in GREET adopted a mixed method. The emission factors of CH 4 , N 2 O, NO x , and SOx were estimated using a “topdown” approach by dividing the total emissions by the total net electricity generation, because emission data of these pollutants are readily available in the Emissions & Generation Resource Integrated Database (eGRID). For other CAPs such as CO, VOC, PM 10 , and PM 2.5 , emission data were not reported in eGRID. A “bottom-up” method was used to estimate the emission factors for these pollutants by considering generic uncontrolled emission factors and the pollutant removal efficiencies of emission control technologies adopted in the electricity generation sector. However, the uncontrolled emission factors and the emission removal efficiencies of various emission control technologies considered in the 2012 study came from the legacy AP-42 emission factors, and may not reflect the actual emission performances of the electricity generation sector of today. To leverage new data that recently became available, especially emission data measured from continuous emission monitoring systems (CEMS), we developed a new “top-down” approach to estimate efficiencies and GHG and CAP emission factors for electricity generation from combustion of individual fuel types by individual combustion technologies on the basis of power-generation data from U.S. Energy Information Administration’s (EIA’s) form EIA-923, and plant emission data from Environmental Protection Agency’s (EPA’s) Clean Air Markets Division (CAMD) dataset and National Emissions Inventory (NEI) dataset. Detailed discussion of the method and data used in this study can be found in Section 2.1. With this topdown approach, we aim to improve the estimates of energy efficiencies and emission factors for power plants using a more consistent methodology, and to update the emission factors, generation efficiencies, and generation technologies mixes in GREET to reflect recent technology advancements in the electricity generation sector.

20 FOSSIL-FUELED POWER PLANTS↗