Results for “rate structures” — Page 9

DOE OSTI2023

Correlating Rate-Dependent Transition Metal Dissolution between Structure Degradation in Li-Rich Layered Oxides

Understanding the mechanism of the rate-dependent electrochemical performance degradation in cathodes is crucial to developing fast charging/discharging cathodes for Li-ion batteries. Here, in this work, taking Li-rich layered oxide Li 1.2 Ni 0.13 Co 0.13 Mn 0.54 O 2 as the model cathode, the mechanisms of performance degradation at low and high rates are comparatively investigated from two aspects, the transition metal (TM) dissolution and the structure change. Quantitative analyses combining spatial-resolved synchrotron X-ray fluorescence (XRF) imaging, synchrotron X–ray diffraction (XRD) and transmission electron microscopy (TEM) techniques reveal that low-rate cycling leads to gradient TM dissolution and severe bulk structure degradation within the individual secondary particles, and especially the latter causes lots of microcracks within secondary particles, and becomes the main reason for the fast capacity and voltage decay. In contrast, high-rate cycling leads to more TM dissolution than low-rate cycling, which concentrates at the particle surface and directly induces the more severe surface structure degradation to the electrochemically inactive rock-salt phase, eventually causing a faster capacity and voltage decay than low-rate cycling. These findings highlight the protection of the surface structure for developing fast charging/discharging cathodes for Li-ion batteries.

25 ENERGY STORAGE↗

NASA NTRSDate not supplied

In-Situ Consolidation Automated Fiber Placement of Thermoplastic Composites for High-Rate Aircraft Manufacturing

The National Aeronautics and Space Administration (NASA) initiated the Hi-Rate Composites Aircraft Manufacturing (HiCAM) project in 2021 with the goal of significantly increasing composite structures manufacturing rate in the commercial aircraft industry. The technologies currently under investigation include resin infusion and automated fiber placement (AFP) of novel thermoset materials and thermoplastic composites. Thermoplastic composites offer attractive solutions to rapid manufacturing due to their ability to be formed and consolidated quickly. NASA is particularly focused on assessing composite structure manufacturing utilizing an in-situ consolidation AFP of thermoplastics (ICAT) process employing a recently developed laser heating system. Two semi-crystalline polyaryletherketone thermoplastic tape materials were characterized to ascertain the ICAT process parameters at AFP placement speeds approaching 423 mm/s. The required laser power settings were determined at Electroimpact, measuring material temperatures utilizing a forward looking infrared (FLIR) thermal imaging camera and thermocouples. The material temperature, tool temperature, and placement speed were varied for resulting consolidation quality assessment. The resulting temperature data were also utilized to calibrate thermal analysis models under development at NASA. The experimental temperature data confirmed analytical results. An overview of the HiCAM project as well as initial data from ICAT process characterizations are described.

thermoplastic composites↗

NASA NTRS2022

In-Situ Consolidation Automated Fiber Placement of Thermoplastic Composites for High-Rate Aircraft Manufacturing

The National Aeronautics and Space Administration (NASA) initiated the Hi-Rate Composites Aircraft Manufacturing (HiCAM) project in 2021 with the goal of significantly increasing composite structures manufacturing rate in the commercial aircraft industry. The technologies currently under investigation include resin infusion and automated fiber placement (AFP) of novel thermoset materials and thermoplastic composites. Thermoplastic composites offer attractive solutions to rapid manufacturing due to their ability to be formed and consolidated quickly. NASA is particularly focused on assessing composite structure manufacturing utilizing an in-situ consolidation AFP of thermoplastics (ICAT) process employing a recently developed laser heating system. Two semi-crystalline polyaryletherketone thermoplastic tape materials were characterized to ascertain the ICAT process parameters at AFP placement speeds approaching 423 mm/s. The required laser power settings were determined at Electroimpact, measuring material temperatures utilizing a forward looking infrared (FLIR) thermal imaging camera and thermocouples. The material temperature, tool temperature, and placement speed were varied for resulting consolidation quality assessment. The resulting temperature data were also utilized to calibrate thermal analysis models under development at NASA. The experimental temperature data confirmed analytical results. An overview of the HiCAM project as well as initial data from ICAT process characterizations are described.

laser heating↗

DOE OSTI2026

Preliminary neutronic and thermal analysis of Inertial Fusion Energy systems with a focus on thick liquid wall concepts

This paper provides an assessment of the neutronic behavior of Inertial Fusion Energy systems using the Serpent 2 Monte Carlo code. The study explores different types of reactor concepts, including dry-wall and thick liquid wall systems. In particular, it characterizes the tritium breeding and energy multiplication performance, as well as the effect of long-term irradiation on structural materials. For this purpose, the displacement per atom (DPA) and the gas production rate in structural materials are calculated. A simplified geometry with varying geometrical parameters is used as a representation for the different kinds of devices. Additionally, the case of the HYLIFE-II concept is used to assess modeling inaccuracies arising from certain approximations. A comparison between the simplified geometry and a realistic one is performed, thanks to Serpent’s capability to run transport calculations on unstructured meshes. The study then addresses the impact of these discrepancies on the temperature distribution in the first wall using the GeN-Foam code for conjugate heat transfer analysis. The results highlight the necessity to consider the heterogeneous nature of the liquid wall, as simplified models tend to underestimate radiation damage metrics and heat loads.

Conjugate heat transfer↗

DOE OSTI2024

The occurrence rate of galaxies with polar structures may be significantly underestimated

Polar-ring galaxies are photometrically and kinematically decoupled systems that are highly inclined to the major axis of the host. These galaxies have been explored since the 1970s, but the rarity of these systems has made such systematic studies difficult. However, over 250 good candidates have been identified. In this work, we examine a sample of over 18 000 galaxies from the Sloan Digital Sky Survey (SDSS) Stripe 82 for the presence of galaxies with polar structures. Using deep SDSS Stripe 82, DESI Legacy Imaging Surveys, and Hyper Suprime-Cam Subaru Strategic Program, we selected 53 good candidate galaxies with photometrically decoupled polar rings, 9 galaxies with polar halos, 6 galaxies with polar bulges, and 34 possibly forming polar-ring galaxies, versus 13 polar-ring candidates previously selected in Stripe 82. Our results suggest that the occurrence rate of galaxies with polar structures may be significantly underestimated, as revealed by the deep observations, and may amount to 1–3% of non-dwarf galaxies.

Astronomy & Astrophysics↗

NASA NTRS2001

Experiments and Model Development for the Investigation of Sooting and Radiation Effects in Microgravity Droplet Combustion

Today, despite efforts to develop and utilize natural gas and renewable energy sources, nearly 97% of the energy used for transportation is derived from combustion of liquid fuels, principally derived from petroleum. While society continues to rely on liquid petroleum-based fuels as a major energy source in spite of their finite supply, it is of paramount importance to maximize the efficiency and minimize the environmental impact of the devices that burn these fuels. The development of improved energy conversion systems, having higher efficiencies and lower emissions, is central to meeting both local and regional air quality standards. This development requires improvements in computational design tools for applied energy conversion systems, which in turn requires more robust sub-model components for combustion chemistry, transport, energy transport (including radiation), and pollutant emissions (soot formation and burnout). The study of isolated droplet burning as a unidimensional, time dependent model diffusion flame system facilitates extensions of these mechanisms to include fuel molecular sizes and pollutants typical of conventional and alternative liquid fuels used in the transportation sector. Because of the simplified geometry, sub-model components from the most detailed to those reduced to sizes compatible for use in multi-dimensional, time dependent applied models can be developed, compared and validated against experimental diffusion flame processes, and tested against one another. Based on observations in microgravity experiments on droplet combustion, it appears that the formation and lingering presence of soot within the fuel-rich region of isolated droplets can modify the burning rate, flame structure and extinction, soot aerosol properties, and the effective thermophysical properties. These observations led to the belief that perhaps one of the most important outstanding contributions of microgravity droplet combustion is the observation that in the absence of asymmetrical forced and natural convection, a soot shell is formed between the droplet surface and the flame, exerting an influence on the droplet combustion response far greater than previously recognized. The effects of soot on droplet burning parameters, including burning rate, soot shell dynamics, flame structure, and extinction phenomena provide significant testing parameters for studying the structure and coupling of soot models with other sub-model components.

Choi, Mun Young↗

NASA NTRS2004

Tropical Diabatic Heating and the Role of Convective Processes as Represented in Several Contemporary Climate Models

One of the most fundamental properties of the global heat balance is the net heat input into the tropical atmosphere that helps drive the planetary atmospheric circulation. Although broadly understood in terms of its gross structure and balance of source / sink terms, incorporation of the relevant processes in predictive models is still rather poor. The work reported here examines the tropical radiative and water cycle behavior as produced by four contemporary climate models. Among these are the NSIPP-2 (NASA Seasonal to Interannual Prediction Project) which uses the RAS convective parameterization; the FVCCM, a code using finite volume numerics and the CCM3.6 physics; FVCCM-MCRAS again having the finite volume numerics, but MCRAS convective parameterization and a different radiation treatment; and, finally, the NCEP GSM which uses the RAS. Using multi-decadal integrations with specified SSTs we examine the statistics of radiative / convective processes and associated energy transports, and then estimate model energy flux sensitivities to SST changes. In particular the behavior of the convective parameterizations is investigated. Additional model integrations are performed specifically to assess the importance representing convective inhibition in regulating convective cloud-top structure and moisture detrainment as well as controlling surface energy fluxes. To evaluate the results of these experiments, a number of satellite retrievals are used: TRMM retrievals of vertical reflectivity structure, rainfall rate, and inferred diabatic heating are analyzed to show both seasonal and interannual variations in vertical structure of latent heat release. Top-of-atmosphere radiative fluxes from ERBS and CERES are used to examine shortwave and longwave cloud forcing and to deduce required seasonal energy transports. Retrievals of cloud properties from ISCCP and water vapor variations from SSM/T-2 are also used to understand behavior of the humidity fields. These observations are supplemented with output form the DOE Reanalysis-2.

Robertson, Franklin R.↗

DOE OSTI2024

Using Active Learning to Rapidly Develop Machine Learned Diffusion Coefficients of CO 2 Conversion Reagents in Metal–Organic Frameworks

Here, we used a combined molecular dynamics/active learning (AL) approach to create machine learning models that can predict the diffusion coefficient of epichlorohydrin and chloropropene carbonate, the reactant and product of a common CO 2 cycloaddition reaction, in metal–organic frameworks (MOFs). Nanoporous MOFs are effective catalysts for the cycloaddition of CO 2 to epoxides. The diffusion rates within nanoporous catalysts can control the rate of reaction as the reactants and products must diffuse to the active sites within the MOF and then out of the nanoporous material for reusability. However, the diffusion process is routinely ignored when searching for new materials in catalytic applications. Here we verified improvement during the AL process by consistently tracking metrics on the same groups of MOFs to ensure consistency. Metal identity was found to have little impact on diffusion rates, while structural features like pore limiting diameter act as a threshold where a minimum value is needed for high diffusion rates. We identified the MOFs with the highest epichlorohydrin and chloropropene carbonate diffusion coefficients which can be used for further studies of reaction energetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1988

Effects of stratospheric lapse rate on thunderstorm cloud-top structure in a three-dimensional numerical simulation. I - Some basic results of comparative experiments

The effects of stratospheric temperature lapse rate on cloud top height/temperature structure for strongly sheared, mature, isolated midlatitude thunderstorms are investigated by performing three different experiments with an anelastic, three-dimensional model: (1) with an assumed stratospheric lapse rate of 0 K/km (i.e., the isothermal case), (2) with 3 K/km, and (3) with -3 K/km (i.e., the case of inversion). Kinematic storm structure is very similar in all three cases, especially in the troposphere; a strong quasi-steady updraft evolves and splits into a dominant cyclonic overshooting right-mover and a weaker, anticyclonic left-mover that does not reach the tropopause.

Schlesinger, Robert E.↗

DOE OSTI2024

Modeling Molecular Hydrogen in Low-metallicity Galaxies

We use a suite of hydrodynamics simulations of the interstellar medium (ISM) within a galactic disk, which includes radiative transfer, a nonequilibrium model of molecular hydrogen, and a realistic model for star formation and feedback, to study the structure of the ISM and H 2 abundance as a function of local ISM properties. We show that the star formation rate and structure of the ISM are sensitive to the metallicity of the gas with a progressively smoother density distribution with decreasing metallicity. In addition to the well-known trend of the H I–H 2 transition shifting to higher densities with decreasing metallicity, the maximum achieved molecular fraction in the ISM drops drastically at Z ≲ 0.2 Z ⊙ as the formation time of H 2 becomes much longer than a typical lifetime of dense regions of the ISM. We present accurate fitting formulae for both volumetric and projected ƒ H 2 measured on different scales as a function of gas metallicity, UV radiation field, and gas density. We show that when the formulae are applied to the patches in the simulated galaxy, the overall molecular gas mass is reproduced to better than a factor of ≲1.5 across the entire range of metallicities and scales. We also show that the presented fit is considerably more accurate than any of the previous ƒ H 2 models and fitting formulae in the low-metallicity regime. The fit can thus be used for modeling molecular gas in low-resolution simulations and semi-analytic models of galaxy formation in the dwarf and high-redshift regimes.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1976

Discrepancy between electron heating and cooling rates derived from Atmosphere Explorer-C measurements

The present theory of electron temperature in the daytime mid-latitude ionosphere is tested by using Atmosphere Explorer-C measurements. In the region below 300 km, where a balance is expected between electron heating by photoelectron impact and electron cooling to ions and neutrals, we find an imbalance in which the cooling rate is consistently higher than the heating rate. The shapes of the altitude profiles also differ substantially. The cooling rate has a sharp peak at about 220 km, while the heating rate exhibits a broad peak about 30 km lower. Improved agreement is achieved at higher altitudes by using an oxygen fine structure loss rate smaller by a factor of 2, based on more recent collision strength calculations. Although this improves the overall agreement of the heating and cooling rates, the shape discrepancy remains, and the new cooling rate falls consistently below the heating rate below 200 km.

Brace, L. H.↗

DOE OSTI2022

High strain-rate compression behavior of polymeric rod and plate Kelvin lattice structures

The compressive high strain-rate behavior of polymeric Kelvin lattice structures with rod-based or plate-based unit cells was investigated through experimental techniques and finite element simulations. Polymeric lattice structures with 5x5x5 unit cell geometries were manufactured on the millimeter scale using vat polymerization additive manufacturing and tested at low (0.001/s) and high (1000/s) strain-rates. High strain-rate experiments were performed and validated for a viscoelastic split-Hopkinson (Kolsky) pressure bar system (SHPB) coupled with high-speed imaging and digital image correlation (DIC). Experimental results at both low and high strain-rates show the formation of a localized deformation band which was more prevalent in low relative density specimens and low strain-rate experiments. Strain-rate effects of lattice specimens strongly correlate with effects of the base polymer material; both bulk polymer and lattice specimen demonstrated strain-rate hardening, strain-rate stiffening, and decreased fracture strain under dynamic loading. Results show mechanical failure properties and energy absorption depended strongly on the relative density of the lattice specimen and exhibited distinct scaling between relative density and geometry type (rod, plate) and loading rate. High relative density plate-lattices demonstrated inferior mechanical properties to rod-lattices; however, there exists a critical relative density for a given mechanical property (17%- 28%) below which plate-lattices outperform rod-lattices of similar mass. As a result, high strain-rate explicit finite element simulations were performed and showed good agreement with the mechanical failure trends and deformation modes observed in the experiments.

36 MATERIALS SCIENCE↗

NASA NTRS2019

Fracture Control for Additively Manufactured Spacecraft Structures

This paper describes how the intent of current NASA fracture control requirements may be applied to “fracture critical” additively manufactured spacecraft hardware. Fracture control is a multi-discipline design and certification methodology that is applied in order to mitigate catastrophic failure of structures resulting from growth of an undetected crack-like defect. The methodology is defined in existing NASA standards and is required on all human-rated space structures. As legacy spacecraft structures have been built using primarily metallic and composite materials manufactured using well established methods, guidance for application of fracture control to parts composed of these material types has been established and is documented in several NASA requirements. Additive manufactured structures offer advantages in design flexibility and manufacturing efficiency and as a result are expected to continue to be used more and more in the future. Recently, relevant guidance has been published by NASA to define materials and processes requirements for certain additive manufactured hardware, but procedures for fracture control are not addressed yet in any requirements or guidance document. While use of additive manufactured parts in non-critical scenarios may be of relatively low concern in current structural certification processes, there is a need for new fracture control guidance in order to use and certify additively manufacture hardware that is “fracture critical” where failure of the part may result in loss of life or loss of vehicle. Assurance of damage tolerance, i.e., that as-built flaws in a given part either do not exist or will not grow to become catastrophic, is of particular interest to the fracture control community. This poses a challenge due to the fact that damage tolerance behavior is not well understood in additive manufactured parts compared to legacy material types and manufacturing techniques. The discussion contained herein is necessary at this time as new guidance in this area should be founded collaboratively by the technical community at large. Different hardware types (e.g., pressure vessel, structural member) are described to highlight specific challenges and solutions for each. The discussion concludes with considering specific disciplines within fracture control (non-destructive evaluation, materials & processes, fracture mechanics, and structural certification) in a proposed extension of existing fracture control requirements to additive manufactured parts.

McElroy, Mark↗

NASA NTRS2019

Fracture Control for Additive Manufactured Spacecraft Structures

This paper describes how the intent of current NASA fracture control requirements may be applied to “fracture critical” additively manufactured spacecraft hardware. Fracture control is a multi-discipline design and certification methodology that is applied in order to mitigate catastrophic failure of structures resulting from growth of an undetected crack-like defect. The methodology is defined in existing NASA standards and is required on all human-rated space structures. As legacy spacecraft structures have been built using primarily metallic and composite materials manufactured using well established methods, guidance for application of fracture control to parts composed of these material types has been established and is documented in several NASA requirements. Additive manufactured structures offer advantages in design flexibility and manufacturing efficiency and as a result are expected to continue to be used more and more in the future. Recently, relevant guidance has been published by NASA to define materials and processes requirements for certain additive manufactured hardware, but procedures for fracture control are not addressed yet in any requirements or guidance document. While use of additive manufactured parts in non-critical scenarios may be of relatively low concern in current structural certification processes, there is a need for new fracture control guidance in order to use and certify additively manufacture hardware that is “fracture critical” where failure of the part may result in loss of life or loss of vehicle. Assurance of damage tolerance, i.e., that as-built flaws in a given part either do not exist or will not grow to become catastrophic, is of particular interest to the fracture control community. This poses a challenge due to the fact that damage tolerance behavior is not well understood in additive manufactured parts compared to legacy material types and manufacturing techniques. The discussion contained herein is necessary at this time as new guidance in this area should be founded collaboratively by the technical community at large. Different hardware types (e.g., pressure vessel, structural member) are described to highlight specific challenges and solutions for each. The discussion concludes with considering specific disciplines within fracture control (non-destructive evaluation, materials & processes, fracture mechanics, and structural certification) in a proposed extension of existing fracture control requirements to additive manufactured parts.

McElroy, Mark↗

NASA NTRS2019

Fracture Control for Additive Manufactured Spacecraft Structures

Final Paper is attached. This paper discusses how the intent of current NASA fracture control requirements may be applied to "fracture critical" additive manufactured spacecraft hardware. Fracture control is a multi-discipline design and certification methodology that is applied in order to mitigate catastrophic failure of structures resulting from growth of an undetected crack-like defect. The methodology is defined in existing spacecraft standards and is required by NASA on all human-rated space structures. Recently, standards have been published by NASA to define materials and processes requirements for certain metallic additive manufactured hardware, but procedures for fracture control implementation on additive manufactured parts are not yet addressed in detail in any standard or guidance document.The discussion contained herein is necessary at this time as new guidance in this area should be founded collaboratively by the technical community at large including industry, academia, and government. Three Fracture Control Certification Methods are proposed for discussion. Additionally, a concept for "Design for AM fracture control" is introduced. The goals of this paper are to further expose the need for maturing additive manufacturing fracture control guidance in the spacecraft industry and to generate discussion on what this guidance should consist of.

McElroy, Mark↗

DOE OSTI2025

Crystal structure prediction with host-guided inpainting generation and foundation potentials

Unconditional crystal structure generation with diffusion models faces challenges in identifying symmetric crystals as the unit cell size increases. Here, we present the crystal host-guided generation (CHGGen) framework to address this challenge through conditional generation using an inpainting method, which optimizes a fraction of atomic positions within a predefined and symmetrized host structure to improve the success rate for symmetric structure generation. By integrating inpainting structure generation with a foundation potential for structure optimization, we demonstrate the method on the ZnS–P 2 S 5 and Li–Si chemical systems, where the inpainting method generates a higher fraction of symmetric structures than unconditional generation. The practical significance of CHGGen extends to enabling the structural modification of crystal structures, particularly for systems with partial occupancy or intercalation chemistry. The inpainting method also allows for seamless integration with other generative models, providing a versatile framework for accelerating materials discovery.

Zhong, Peichen [University of California, Berkeley↗

DOE OSTI2025

Review of Layered Transition Metal Oxide Materials for Cathodes in Sodium-Ion Batteries

The growing interest in sodium-ion batteries (SIBs) is driven by scarcity and the rising costs of lithium, coupled with the urgent need for scalable and sustainable energy storage solutions. Among various cathode materials, layered transition metal oxides have emerged as promising candidates due to their structural similarity to lithium-ion battery (LIB) counterparts and their potential to deliver high energy density at reduced costs. However, significant challenges remain, including limited capacity at high charge/discharge rates and structural instability during extended cycling. Addressing these issues is critical for advancing SIB technology toward industrial applications, particularly for large-scale energy storage systems. This review provides a comprehensive analysis of layered sodium transition metal oxides, focusing on their structural properties, electrochemical performance, and degradation mechanisms. Special attention is given to the intrinsic and extrinsic factors contributing to their instability, such as structural phase transitions, and cationic/anionic redox behavior. Additionally, recent advancements in material design strategies, including doping, surface modifications, and composite formation, are discussed to highlight the progress toward enhancing the stability and performance of these materials. This work aims to bridge the knowledge gaps and inspire further innovations in the development of high-performance cathodes for sodium-ion batteries.

Ahangari, Mehdi (ORCID:0000000345803969)↗

NASA NTRS1992

Structure, processing, and properties of potatoes

The objective of this experiment and lesson intended for high school students in an engineering or materials science course or college freshmen is to demonstrate the relation between processing, structure, and thermodynamic and physical properties. The specific objectives are to show the effect of structure and structural changes on thermodynamic properties (specific heat) and physical properties (compressive strength); to illustrate the first law of thermodynamics; to compare boiling a potato in water with cooking it in a microwave in terms of the rate of structural change and the energy consumed to 'process' the potato; and to demonstrate compression testing.

Lloyd, Isabel K.↗