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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Inference of Gene Regulatory Network Uncovers the Linkage between Circadian Clock and Crassulacean Acid Metabolism in Kalanchoë fedtschenkoi

The circadian clock drives time-specific gene expression, enabling biological processes to be temporally controlled. Plants that conduct crassulacean acid metabolism (CAM) photosynthesis represent an interesting case of circadian regulation of gene expression as stomatal movement is temporally inverted relative to stomatal movement in C3 plants. The mechanisms behind how the circadian clock enabled physiological differences at the molecular level is not well understood. Recently, the rescheduling of gene expression was reported as a mechanism to explain how CAM evolved from C3. Therefore, we investigated whether core circadian clock genes in CAM plants were re-phased during evolution, or whether networks of phase-specific genes were simply re-wired to different core clock genes. We identified candidate core clock genes based on gene expression features and then applied the Local Edge Machine (LEM) algorithm to infer regulatory relationships between this new set of core candidates and known core clock genes in Kalanchoë fedtschenkoi. We further inferred stomata-related gene targets for known and candidate core clock genes and constructed a gene regulatory network for core clock and stomata-related genes. Our results provide new insight into the mechanism of circadian control of CAM-related genes in K. fedtschenkoi, facilitating the engineering of CAM machinery into non-CAM plants for sustainable crop production in water-limited environments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Predicting Plant-Soil Feedback in the Field: Meta-Analysis Reveals That Competition and Environmental Stress Differentially Influence PSF

Past research on plant-soil feedbacks (PSF), largely undertaken in highly controlled greenhouse conditions, has established that plant species differentially alter abiotic and biotic soil conditions that in turn affect growth of other conspecific and heterospecific individuals in that soil. Yet, whether feedbacks under controlled greenhouse conditions reflect feedbacks in natural environments where plants are exposed to a range of abiotic and biotic pressures is still unresolved. To address how environmental context affects PSF, we conducted a meta-analysis of previously published studies that examined plant growth responses to multiple forms of competition, stress, and disturbance across various PSF methodology. We asked the following questions: (1) Can competition, stress, and disturbance alter the direction and/or strength of PSF? (2) Do particular types of competition, stress, or disturbance affect the direction and/or strength of PSF more than others? and (3) Do methods of conducting PSF research (i.e., greenhouse vs. field experiments and whether the source of soil inoculum conditioning is from the field vs. greenhouse) affect plant growth responses to PSF or competition, stress, and disturbance, or their interactions? We discovered four patterns that may be predictive of what future PSF studies conducted under more realistic conditions might reveal. First, relatively little is known about how PSF responds to environmental stress and disturbance compared to plant-plant competition. Second, specific types of competition enhanced negative effects of soil microbes on plant growth, and specific environmental stressors enhanced positive effects of soil microbes on plant growth. Third, whether PSF experiments are conducted in the field or greenhouse can change plant growth responses. And, fourth, how the soil conditioning phase is conducted can change plant growth responses. With more detail than previously shown, these results confirm that environmental context writ large can change plant growth responses in PSF experiments. These data should aid theory and predictions for conservation and restoration applications by showing the relative importance of competition, stress, and disturbance in PSF studies over time. Lastly, these data demonstrate how variation in experimental methods can alter interpretation and conclusions of PSF studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Electrochemical Capacitance Traces with Interlayer Spacing in Two‐dimensional Conductive Metal–Organic Frameworks

Abstract Electrically conductive metal–organic frameworks (MOFs) are promising candidates for electrochemical capacitors (EC) for fast energy storage due to their high specific surface areas and potential for redox activity. To maximize energy density, traditional inorganic pseudocapacitors have utilized faradaic processes in addition to double‐layer capacitance. Although conductive MOFs are usually comprised of redox active ligands which allow faradaic reactions upon electrochemical polarization, systematic studies providing deeper understanding of the charge storage processes and structure‐function relationships have been scarce. Here, we investigate the charge storage mechanisms of a series of triazatruxene‐based 2D layered conductive MOFs with variable alkyl functional groups, Ni 3 (HIR 3 ‐TAT) 2 (TAT=triazatruxene; R=H, Et, n ‐Bu, n ‐Pent). Functionalization of the triazatruxene core allows for systematic variation of structural parameters while maintaining in‐plane conjugation between ligands and metals. Specifically, R groups modulate interlayer spacing, which in turn shifts the charge storage mechanism from double‐layer capacitance towards pseudocapacitance, leading to an increase in molar specific capacitance from Ni 3 (HIH 3 ‐TAT) 2 to Ni 3 (HIBu 3 ‐TAT) 2 . Partial exfoliation of Ni 3 (HIBu 3 ‐TAT) 2 renders redox active ligand moieties more accessible, and thus increases the dominance of faradaic processes. Our strategy of controlling charge storage mechanism through tuning the accessibility of redox‐active sites may motivate further design and engineering of electrode materials for EC.

Su, Alice Y.↗
DOE OSTI2024

Electrochemical Capacitance Traces with Interlayer Spacing in Two‐dimensional Conductive Metal–Organic Frameworks

Abstract Electrically conductive metal–organic frameworks (MOFs) are promising candidates for electrochemical capacitors (EC) for fast energy storage due to their high specific surface areas and potential for redox activity. To maximize energy density, traditional inorganic pseudocapacitors have utilized faradaic processes in addition to double‐layer capacitance. Although conductive MOFs are usually comprised of redox active ligands which allow faradaic reactions upon electrochemical polarization, systematic studies providing deeper understanding of the charge storage processes and structure‐function relationships have been scarce. Here, we investigate the charge storage mechanisms of a series of triazatruxene‐based 2D layered conductive MOFs with variable alkyl functional groups, Ni 3 (HIR 3 ‐TAT) 2 (TAT=triazatruxene; R=H, Et, n ‐Bu, n ‐Pent). Functionalization of the triazatruxene core allows for systematic variation of structural parameters while maintaining in‐plane conjugation between ligands and metals. Specifically, R groups modulate interlayer spacing, which in turn shifts the charge storage mechanism from double‐layer capacitance towards pseudocapacitance, leading to an increase in molar specific capacitance from Ni 3 (HIH 3 ‐TAT) 2 to Ni 3 (HIBu 3 ‐TAT) 2 . Partial exfoliation of Ni 3 (HIBu 3 ‐TAT) 2 renders redox active ligand moieties more accessible, and thus increases the dominance of faradaic processes. Our strategy of controlling charge storage mechanism through tuning the accessibility of redox‐active sites may motivate further design and engineering of electrode materials for EC.

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

Analytical benchmark solution for 1-D neutron transport coupled with thermal conduction and material expansion

In this work we present fully analytical solutions for a class of finite, homogeneous, 1-D slab benchmark problems with nonlinear temperature feedback effects. The proposed class of benchmarks include multiplicative 1-D neutron transport (limited to quasistatic S{sub 2} with μ = ±1) coupled with thermal conduction, convection, Doppler broadening, and expansion effects along the length of the slab. This class of benchmark models, along with the corresponding analytical solutions, are valuable for validating multiphysics analysis frameworks that support coupled neutronics/thermal/structural calculations. Analytical solutions for the benchmarks are obtained by introducing an ansatz that the equilibrium flux and temperature distributions in the slab have the same shape. Specific values for the total microscopic cross section, σ{sub t,0}, and conductive heat transfer coefficient, h, that satisfy the assumed ansatz are then determined. A discussion of the procedure for generating benchmark models and analytical solutions is provided, along with numerical results for an example set of model parameters and thoughts on practical applications of the benchmarks for multiphysics code validation. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

A comparative analysis of green building rating systems in China and the United States

Several studies have compared green building rating systems (GBRSs) in China and the United States, Nonetheless, few studies included in-depth analysis on specific rating tools with project specific data validating green building technologies and actual performance. This study conducted a comprehensive data-driven comparison of the GBRSs of China and the United States. The goal was to understand the current status and further improve China's GBRS and promote green building technologies. The study first conducted thorough comparisons of GBRSs in China and the U.S. by selecting a series of distinct rating tools. Then, it analyzed each tool's development objectives, contents, and rating score settings. Further, the comparison concludes the future development needs for China's GBRS. In addition to standard comparison, green building technologies applied in certified projects were also summarized. The results demonstrated that GBRSs in both China and the U.S. reflect well the technical paths to achieve green building sustainable development. By analyzing certified projects, it was also found that the incremental costs of green building technologies were controllable. Finally, based on the comparison and case analysis, the study provide a set of policy recommendations to further improve China's green building standards.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Liquid Phase Exfoliation of Chemically Prelithiated Bilayered Vanadium Oxide in Aqueous Media for Li-Ion Batteries

Bilayered vanadium oxides are attractive for energy storage due to their high initial specific capacities, which could be stabilized by integrating the bilayers with conductive nanoflakes often produced in a form of aqueous dispersions. Therefore, exfoliation of the bilayered vanadium oxides in water with high yield is desirable. Here, this work introduces the first aqueous exfoliation of chemically prelithiated bilayered vanadium oxide (i.e., δ-Li x V 2 O 5 ·nH 2 O or LVO) followed by vacuum filtration to produce a free-standing film, exhibiting a lamellar stacking of the bilayered vanadium oxide nanoflakes as evidenced by scanning electron microscopy. Due to the hydrated nature of bilayered vanadium oxides, the relationship between interlayer water content and the vacuum drying temperature (105 °C vs 200 °C) was studied using X-ray diffraction, thermogravimetric analysis, and Raman spectroscopy. It was found that vacuum drying the LVO nanoflakes at 200 °C enabled more efficient removal of crystallographic water than drying at 105 °C, and did not induce a phase transformation. Scanning transmission electron microscopy confirmed the layered structure of the samples, which was more well-ordered in the 200 °C case and had no clear boundaries between flakes at the atomic scale. Furthermore, electrochemical testing in nonaqueous Li-ion cells revealed that vacuum drying at 200 °C led to improvements in ion storage capacity and electrochemical stability. Improvements in electrochemical charge storage properties of the electrodes obtained via LVO exfoliation and free-standing film assembly in water dried at 200 °C reveal that conventional battery electrode drying protocols need to be revised as new electrochemically active materials are synthesized, such as hydrated layered oxides with expanded interlayer regions. The remaining capacity fading can be attributed to the structural LVO degradation, dissolution of vanadium oxide in electrolyte, and parasitic effects of the remaining interlayer water molecules. Our results establish an environmentally friendly and safe approach to obtain two-dimensional (2D) bilayered vanadium oxide nanoflakes and create a pathway to constructing novel 2D heterostructures for improved performance in energy storage applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

High-Performance Lithium-Ion Batteries with High Stability Derived from Titanium-Oxide- and Sulfur-Loaded Carbon Spherogels

This study presents a novel approach to developing high-performance lithium-ion battery electrodes by loading titania-carbon hybrid spherogels with sulfur. The resulting hybrid materials combine high charge storage capacity, electrical conductivity, and core-shell morphology, enabling the development of next-generation battery electrodes. We obtained homogeneous carbon spheres caging crystalline titania particles and sulfur using a template-assisted sol-gel route and carefully treated the titania-loaded carbon spherogels with hydrogen sulfide. The carbon shells maintain their microporous hollow sphere morphology, allowing for efficient sulfur deposition while protecting the titania crystals. By adjusting the sulfur impregnation of the carbon sphere and varying the titania loading, we achieved excellent lithium storage properties by successfully cycling encapsulated sulfur in the sphere while benefiting from the lithiation of titania particles. Without adding a conductive component, the optimized material provided after 150 cycles at a specific current of 250 mA g -1 a specific capacity of 825 mAh g -1 with a Coulombic efficiency of 98%.

25 ENERGY STORAGE↗
DOE OSTI2022

Evidence of Morphological Change in Sulfur Cathodes upon Irradiation by Synchrotron X-rays

While the development of lithium–sulfur battery cathodes has benefited substantially from the use of in situ and ex situ X-ray absorption studies, the degree of undesired influence from synchrotron radiation has not been studied. In this study, we present evidence of severe beam damage on sulfur cathodes under irradiation by synchrotron X-rays. Specifically, X-ray fluorescence mapping with relatively low dosage was conducted to observe the morphological changes after conducting X-ray absorption spectroscopy (XAS). Under open-circuit conditions, the morphology of the sulfur spontaneously changes and tends to migrate out of the region of XAS sampling. Our work indicates that effort should be placed in first obtaining a no-change/stable open-circuit baseline when attempting to conduct in operando studies of lithium–sulfur batteries using synchrotron radiation with an energy of <7.7 keV and a flux of >6 × 10 12 photons s –1 .

25 ENERGY STORAGE↗
DOE OSTI2024

Monovalent ion–graphene oxide interactions are controlled by carboxylic acid groups: Sum frequency generation spectroscopy studies

Graphene oxide (GO) is a two-dimensional, mechanically strong, and chemically tunable material for separations. Elucidating GO–ion–water interactions at the molecular scale is highly important for predictive understanding of separation systems. However, direct observations of the nanometer region by GO surfaces under operando conditions are not trivial. Therefore, thin films of GO at the air/water interface can be used as model systems. With this approach, we study the effects of alkali metal ions on water organization near graphene oxide films at the air/water interface using vibrational sum frequency generation (SFG) spectroscopy. Here, we also use an arachidic acid Langmuir monolayer as a benchmark for a pure carboxylic acid surface. Theoretical modeling of the concentration-dependent sum frequency signal from graphene oxide and arachidic acid surfaces reveals that the adsorption of monovalent ions is mainly controlled by the carboxylic acid groups on graphene oxide. An in-depth analysis of sum frequency spectra reveals at least three distinct water populations with different hydrogen bonding strengths. The origin of each population can be identified from concentration dependent variations of their SFG signal. Interestingly, an interfacial water structure seemed mostly insensitive to the character of the alkali cation, in contrast to similar studies conducted at the silica/water interface. However, we observed an ion-specific effect with lithium, whose strong hydration prevented direct interactions with the graphene oxide film.

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

Effect of toolpath in large-format additive manufacturing with bio-derived composites

There has been growing interest in integrating bio-derived composites into Large-format additive manufacturing (LFAM) feedstocks to reduce the use of petroleum-derived materials and reduce the overall carbon footprint of LFAM. However, these materials present unique challenges during manufacturing due to their variability, which can lead to unintended deformations and failures attributable to suboptimal process conditions. While numerical modelling has been extensively employed to simulate numerous manufacturing processes, its application in LFAM with bio-derived composites remains limited. This study addresses this gap by systematically developing a numerical model to simulate the LFAM process using bio-based materials, specifically wood fiber-reinforced polylactic acid (PLA/WF). Experimental investigations were conducted to characterise the thermal and mechanical properties of additively manufactured PLA/WF specimens. Numerical simulations were performed to predict temperature profiles and deformations during LFAM. The effect of varying infill patterns, internal structures, and tool paths on the temperature distribution and deformation of printed parts was explored using the developed model. This article aims to advance the utilisation of bio-derived composites in LFAM systems and provide a comprehensive understanding of the LFAM process. The findings offer valuable insights for optimising process parameters and enhancing the performance of LFAM with bio-based composites.

Large-format additive manufacturing↗
DOE OSTI2024

Advanced co-simulation framework for assessing the interplay between occupant behaviors and demand flexibility in commercial buildings

With buildings contributing significantly to electricity usage, enabling demand flexibility becomes a challenge, especially when accounting for occupant comfort. This study introduces an innovative co-simulation framework integrating multiple models: heating, ventilation, and air conditioning (HVAC) system, building zone load, indoor airflow, supervisory control, and occupant comfort and behavior. Uniquely, this framework allows for a comprehensive and dynamic analysis of building systems and occupant interactions in demand response events. Using this framework, we conducted a case study using a typical small office building model. Specifically, we focused on three areas: (1) the impact of indoor airflow modeling on energy use, occupant comfort, and behaviors forecasting, (2) the impact of occupant behaviors on demand flexibility, and (3) occupant comfort and behaviors under demand response events. Key performance indicators such as energy use, flexibility factor, durations of occupant discomfort and occupant behaviors were analyzed. Our findings indicated variations in energy usage and occupant comfort within demand flexibility events, marked by uncertainty boundaries, with variability in demand shedding up to 57.9%. Here, we concluded that this framework is suitable for analyzing typical commercial buildings and their HVAC systems in terms of demand flexibility potential under the impact of occupant behaviors.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Thermal relaxation and the complete set of second-order transport coefficients for the unitary Fermi gas from kinetic theory

We compute the complete set of second-order transport coefficients of the unitary Fermi gas, a dilute gas of spin-1/2 particles interacting via an 𝑠 -wave interaction tuned to infinite scattering length. The calculation is based on kinetic theory and the Chapman-Enskog method at second order in the Knudsen expansion. We take into account the exact two-body collision integral. We extend previous results on second-order coefficients related to shear stress by including terms related to heat flow and gradients of the fugacity. We confirm that the thermal relaxation time is given by the simple estimate 𝜏 𝜅 = 𝜅⁢𝑚/(𝑐 𝑃 ⁢𝑇) even if the full collision kernel is taken into account. Furthermore, 𝜅 is the thermal conductivity, 𝑚 is the mass of the particles, 𝑐𝑃 is the specific heat at constant pressure, and 𝑇 is the temperature.

Kinetic theory↗
DOE OSTI2024

Exploring Dynamic P-Q Capability and Abnormal Operations of Inverter-Based Resources

Nowadays, inverter-based resources are rapidly growing in electric power systems. On the other side, abnormal inverter operations are also occurring more often. Traditionally, inverter PQ capability charts are employed by electric utility companies to ensure safe and reliable operations of inverter-based resources. However, it is found in this paper that existing inverter PQ capability charts do not address the operating characteristics of an inverter correctly, which can result in irregular and unstable inverter operations. Here in this paper, a novel study is conducted to investigate inverter PQ capability charts, where constraints that are specific to an inverter are considered. It is found in this paper that the inverter PQ capability charts exhibit a unique dynamic nature under uncertain grid conditions. This dynamic nature has not been considered by the industry in managing, designing, and controlling an inverter as well as in developing international standards for inverter-based resources. Via both electromagnetic transient simulation and hardware experimental investigations, it is found that the dynamic PQ capability nature, together with the limitations of the existing control methods, are the underlying causes of many unusual inverter operations that have been reported in the literature.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Emissions and Flame Structure Assessment of Aeroengine Micromixing Injectors for Lean Direct Injection of Hydrogen and Hydrogen/Natural Gas Blends

Abstract The present study focuses on whether adapting low emissions liquid fuel injection concepts can be applied to gaseous mixtures. The goal is to develop an injector with specific geometric characteristics that will achieve the lowest emissions. This is conducted by evaluating emissions and flame diagnostics on a set of test hardware that has been developed for combustion of pure hydrogen and hydrogen/methane mixtures. The current test hardware adapts lean direct injection concepts from aeroengine injectors to a ground-based engine based on target flows associated with a Solar Turbines Industrial Engine gas turbine. A statistical test plan was developed to assess these geometric characteristics using a three level Box Behnken design. The test plan investigates the effect of injector flow splits, air swirl, fuel swirl, pressure drop, preheat temperature, fuel composition, and the adiabatic flame temperature on the flame structure and emissions performance. A total of 16 injectors were considered for a total of 688 test points for emission and imaging data. Emissions data were reported on a mass basis in ng/J and chemical reactor network analysis were conducted to further interpret emissions behavior. Images were also captured to analyze the flame structure features of interest including reaction volume, flame length, flame spread, and flame width. With these results, a predictive model for emissions was made to conclude the most optimal injector configuration is to have the highest level of air split (more volume of air through the injector plate versus the injector) and air swirl angle for both methane and hydrogen gas mixtures. The predictive emissions level for all of these cases were below 10 ng/J.

08 HYDROGEN↗
DOE OSTI2025

Tailoring optical response of MXene thin films

Due to their attractive optical properties, 2D MXenes have garnered interest in nanophotonic and optoelectronic applications. However, tuning their properties typically requires the iterative synthesis of MXenes with a specific set of properties, such as the absorption band position, electronic conductivity, and dielectric constant. We demonstrate how to tailor the optical properties of MXene thin films over a broad 1500-nm wavelength range by mixing different ratios of highly conductive Ti 3 C 2 T x with poorly conductive Nb 2 CT x . By changing the MXene film composition, the epsilon-near-zero (ENZ) point, where the optical properties transit from dielectric to metallic, was varied in the spectral range from 1.1 to 2.6 µm. Additionally, we observed a reduction in absorption in some compositions compared to the absorption of the pure MXene films. Compared to other methods, this approach enables simple and continual tuning of MXene optical properties without requiring multiple time-consuming synthesis steps.

2D materials↗
DOE OSTI2022

Soil and soil fraction radiocarbon, C and N from the Enriched Background Isotope Study, Oak Ridge National Laboratory, Tennessee, USA

A large accidental 14CO2 release at the Oak Ridge Reservation in Tennessee, USA provided a strong label pulse into adjacent, well-studied oak forests, resulting in highly elevated Δ14C values in leaf litter (~1000‰) and roots (~260–450‰). A four-year manipulative study was conducted to provide insight into mechanisms underlying soil Organic matter dynamics, specifically to determine the relative contribution of litter versus roots to the bulk mineral soil C pool, as well as to free light, occluded light and heavy fractions. The heavy fraction was further split into fractions with densities of 1.7–2.4 g cm-3 and >2.4 g cm-3 to test the homogeneity of the mineral-associated fraction of C. Substantial concentrations of label were detected in all soil fractions within a year of the 14CO2 release, indicating rapid incorporation of newly fixed photosynthates in all fractions of soil organic C, regardless of differences in stability inferred by previous work. This rapid incorporation of label occurred only in treatments where roots were labeled, indicating that roots are the major source of inputs to mineral soil C stocks at these sites. Separation of the heavy fraction into subfractions of intermediate (1.7–2.4 g cm -3) and high (>2.4 g cm-3) density indicated that both subfractions incorporated label at similar rates, despite significant differences in degree of microbial processing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

TA55-PMDS Programmatic Maintenance [Slides]

DOE Order 433.1B states: “The contractor must maintain real property assets in a manner that promotes operational safety, worker health, environmental compliance, property preservation and cost-effectiveness while meeting the program mission”. P950 Conduct of Maintenance serves as LANL’s Nuclear Maintenance Management Program specific to M/L 1 and M/L 2 SSC. PA-AP-01108 Maintenance Requirements for Programmatic Equipment defines the process for determining maintenance requirements, as defined in a maintenance plan, for all programmatic equipment owned by the Associate Directorate for Plutonium Science and Manufacturing (ADPSM) utilizing a formal, graded approach to maximize the reliability of permanently-installed programmatic equipment that does not perform a safety function. It bridges the gap between P950 and program equipment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗