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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Nonlinear Homogenization of Finitely Deformed Viscoelastic-Viscoplastic Composites Using Mechanics of Structure Genome

The objective of this paper is to develop a micromechanics approach to homogenizing finitely deformed viscoelastic-viscoplastic composites using the mechanics of structure genome. The incremental constitutive relation for glassy polymers, formulated in the spatial configuration, is implemented in the present approach.This involves (1) pulling-back the constitutive model to the material configuration and (2)choosing the deformation gradient tensor and the first Piola–Kirchhoff stress tensor as the strain and the stress measures during homogenization, respectively. An Euler–Newton predictor–corrector method is developed for homogenization. Each step involves formulating a variational statement using the mechanics of structure genome, discretizing the statement in a finite-dimensional space, and solving the problem using an Euler/multilevel Newton method. The present approach is demonstrated by homogenizing fiber- and particle-reinforced composites undergoing uniaxial, biaxial, or shear deformation, at different stain rates.

Multi-scale modeling, High Strain Composites, Visc↗
DOE OSTI2021

Modeling of Lithium Nucleation and Plating Kinetics Under Fast Charge Conditions

The onset of lithium nucleation and subsequent plating on the graphite particles is a challenging problem in the design of fast charging batteries. Here, a variational phase field formulation has been developed to initiate the nucleation of lithium particles based on the local plating overpotential conditions and allowing to predict the lithium plating under fast charge conditions. The model demonstrates that (1) at small charging current density, there is no nucleation and plating of metallic lithium, and no effect on the intercalation kinetics; (2) at intermediate charging current densities, initially a stagnated growth from isolated lithium nuclei is observed followed by a continuous growth of metallic lithium; (3) at large charging current densities, a continuous growth of metallic lithium resulting from coalescence of small nuclei into large nuclei decreases the excess interfacial energy, which in turn slows down the intercalation kinetics. The formulation sets the stage for predicting and evaluating the influence of various electrolyte compositions, graphite particle morphologies and electrode loadings on the nucleation and plating dynamics under fast charge conditions.

25 ENERGY STORAGE↗
DOE OSTI2023

Development & Validation of Low-Cost, Highly-Durable, Spinel-Based Materials for SOFC Cathode-Side Contact (Final Report)

A cathode-side contact layer is required to provide and maintain stable electrical conduction paths between the interconnect and cathode in a solid oxide fuel cell (SOFC) stack assembly and thus minimize the ohmic resistance and stack power loss. Current cathode-interconnect contact materials are based on noble metals, electrically-conductive perovskites, their composite materials, etc. These materials are either too expensive or do not possess the overall balanced performance required for the cathode-side contact application. To achieve the DOE SOFC system cost and performance stability goals, a new generation of low-cost, high-performance contact materials needs to be developed. In this project, spinel-based materials thermally converted from the Fe-Ni and Co-Mn based alloy precursors were developed and validated for the cathode-side contact application. The precursor alloy compositions were optimized via a combination of composition screening in the (Ni,Fe) 3 O 4 and (Mn,Co) 3 O 4 spinel system, alloy design using physical metallurgy principles, and cost considerations. The alloy powders with the desired composition and particle size were manufactured via gas atomization. The optimal process parameters for thermal conversion of these alloy precursor layers to a spinel-based layer were identified, i.e., 900°C x 2h in air, which is close to the initial stack firing condition. The area-specific resistances (ASRs) of the interconnect/contact/cathode test assemblies with the developed contact layer were determined for various durations (up to 5000 h) under simulated cathodic operation conditions. Some of the alloy-derived spinel contacts exhibited the lowest ASR and ASR degradation rate. The in-stack performance of the most promising alloy-derived contact layer is currently being evaluated via stack testing. To reduce the stack cost, the Co-Mn based alloy powders were utilized as the precursor for synthesis of dense spinel-based interconnect coating. By optimizing both the initial powder size/distribution and the alloy powder composition, a dense (Mn,Co) 3 O 4 -based spinel coating was achieved. Furthermore, co-sintering of the coating/contact dual-layer structure under the initial stack firing condition was realized by utilizing the tailored Co-Mn alloy precursors. Cost analysis of the developed technology indicated a total stack cost reduction of around 10.6% with the implementation of co-sintering of the interconnect coating and the contact layer during initial stack firing. Since low-cost processes such as screen printing is utilized in the precursor application and no reduction heat treatment is needed for the coating formation, the developed technology can be readily implemented at the industrial partner’s manufacturing facilities with no additional capital investment needed.

08 HYDROGEN↗
NASA NTRS2018

In Situ Measurements of Angular-Dependent Light Scattering by Aerosols over the Contiguous United States

This work provides a synopsis of aerosol phase function (F (sub 11)) and polarized phase function (F (sub 12)) measurements made by the Polarized Imaging Nephelometer (PINeph) during the Studies of Emissions, Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) and the Deep Convection Clouds and Chemistry (DC3) field campaigns. In order to more easily explore this extensive dataset, an aerosol classification scheme is developed that identifies the different aerosol types measured during the deployments. This scheme makes use of ancillary data that include trace gases, chemical composition, aerodynamic particle size and geographic location, all independent of PI-Neph measurements. The PI-Neph measurements are then grouped according to their ancillary data classifications and the resulting scattering patterns are examined in detail. These results represent the first published airborne measurements of F (sub 11) and minus F (sub 12) divided by F (sub 11) for many common aerosol types. We then explore whether PI-Neph light-scattering measurements alone are sufficient to reconstruct the results of this ancillary data classification algorithm. Principal component analysis (PCA) is used to reduce the dimensionality of the multi-angle PI-Neph scattering data and the individual measurements are examined as a function of ancillary data classification. Clear clustering is observed in the PCA score space, corresponding to the ancillary classification results, suggesting that, indeed, a strong link exists between the angular scattering measurements and the aerosol type or composition. Two techniques are used to quantify the degree of clustering and it is found that in most cases the results of the ancillary data classification can be predicted from PI-Neph measurements alone with better than 85 percent recall. This result both emphasizes the validity of the ancillary data classification as well as the PI-Neph's ability to distinguish common aerosol types without additional information.

Aerosol phase function↗
DOE OSTI2025

High resolution variability in wet deposition in the southeastern United States

Rainwater chemistry is determined by atmospheric pollutants and particles which vary spatially and temporally. Industrial and agricultural activities and meteorological events (e.g. sea breezes, severe weather, blowing dust) alter atmospheric particle and trace gas compositions. These gases and particles are scavenged by cloud and rain droplets that drive wet deposition. During an Intensive Operation Period (IOP) from April to October 2021, rainwater was collected at higher frequency intervals, usually daily, after precipitation events at three locations on the Savannah River Site (SRS). The farthest locations were separated by approximately 20 km. The mean concentration (μeq/L) of seven ions followed the Cl⁻ > SO 4 2− > Na⁺ > NO 3 ⁻ > K⁺ > Mg 2+ > Ca 2+ downward trend. Ion concentrations were compared to background ion concentrations from the National Atmospheric Deposition Program (NADP). The high frequency monthly averaged SRS data compared well with the monthly averaged NADP background but demonstrated extensive variability. In some months in 2021, the high frequency data compared better to the NADP site near the coast while in other months inland sites compared better. Strong spatial variability for ion concentrations was observed across SRS which was attributed to localized impacts in rainfall spatial variability. High frequency measurements allowed for comparison to regional weather patterns indicating influences from the Atlantic Ocean, Gulf of Mexico, and cities. This can account for spatial variability in the wet deposition flux. Sea breezes, Saharan dust, and anthropogenic sources were shown to impact wet deposition flux variability. Higher frequency precipitation chemistry sampling at numerous locations better captures ion concentration variability and improves measurement representativeness.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Spectroscopic determination of metal redox and segregation effects during CO and CO/NO oxidation over silica-supported Pd and PdCu catalysts

Here, we report the effects of alloying Cu into silica supported Pd nanoparticles on the catalytic activity, surface composition, and particle structure during CO oxidation Pd is highly active for CO oxidation but is inhibited by relevant competitive reagents (e.g. NO) at low temperatures (< 150 °C). By alloying Cu into Pd nanoparticles, NO inhibition is suppressed without any CO oxidation activity loss. Infrared spectroscopy illustrates the formation of surface nitrosyl (NO-Pd) is eliminated in the PdCu alloy catalyst, preventing CO oxidation inhibition by NO. X-ray absorption spectroscopy studies show that Pd in the monometallic catalyst forms a surface oxide after light-off. Conversely, in the PdCu catalyst, Pd remains metallic during reaction, independent of temperature, whereas the Cu oxidizes when the catalyst becomes active, after light-off. Furthermore, DRIFTS studies show that the Cu segregates to the surface as the catalyst becomes active for diesel oxidation, presumably becoming the O 2 adsorption site.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Consequences of utilizing a redox-active polymeric binder in Li-ion batteries

Development of new polymeric binders can help enable the use of silicon-rich anodes in Li-ion batteries, by providing stronger adhesion to the active material particles. The compositional features that improve interfacial interactions and mechanical properties can often impart electronic conductivity and redox activity to these polymers, which are generally seen as beneficial to cell performance. Alternatively, it is also possible that the addition of charge-transferring centers to the electrode can accelerate cell degradation. Here, we use an aromatic polyimide (∼320 mA h/g of reversible capacity) to explore how a redox-active conductive polymer can affect cell performance. We demonstrate that the lithiated polymer is less stable than the traditional binders upon storage, leading to increased rates of calendar aging. Furthermore, we determine that the adhesion properties of the polymer deteriorate upon repeated cycling, to an extent that is proportional to the degree of delithiation of the binder. More critically, we establish that progressive degradation of the redox behavior of the polymer leads to the release of “extra” Li + into the cell, which can give the false perception of good performance even under conditions of poor stability. In conclusion, our work suggests that redox-active conductive binders can sometimes be detrimental to cell performance, and that works evaluating new polymers must include careful experimental validation under realistic conditions.

25 ENERGY STORAGE↗
DOE OSTI2026

Using Artificial Soiling to Rank Anti-Soiling Coatings for Arid Climates

A simple method to evaluate (e.g., screen and rank) the performance of coatings that are fully or partially anti-soiling (AS) is lacking within the PV industry. Artificial soiling may be used as a rapid and economical assessment approach, offering an efficient alternative to time-intensive, site-specific field testing. In this study, we present an artificial soiling method to replicate the anti-soiling performance rankings of two groups of coated glass samples supplied by two manufacturers (group C with CA, CP, and CS coatings; group A with AC coating). These are compared to field aging in two climates: semi-arid Lemoore, California over 4 months, and the hot desert in Mesa, Arizona over 7 months. Both field and indoor performance ranking utilize the transmittance ratio, defined as the optical transmittance between a coated sample and an uncoated reference in each group, as an evaluation metric to assess the effectiveness of the artificial soiling approach in replicating field soiling. It is critical to mimic the dominant field meteorological conditions associated with soiling-prone days and vulnerable times of day during the soiling season. Our results reveal that the use of artificial soiling for field performance ranking among coatings strongly depends on the soil type (composition and particle distribution), dust surface density, and prevalent environmental factors (wetting saturation by humidity, dew condensation extent, and prior weathering history of the coating). The similar rank order relative to the field suggests that the artificial soiling approach presented may be used for down-selecting anti-soiling coatings prior to prolonged field validation.

14 SOLAR ENERGY↗
DOE OSTI2024

Contribution of Speciated Monoterpenes to Secondary Aerosol in the Eastern North Atlantic

Extension of laboratory results suggests that monoterpenes, a subset of marine biogenic volatile organic compounds, might play a competitive role in secondary aerosol formation in the remote marine atmosphere, where the oxidation of dimethyl sulfide has traditionally been thought to dominate. However, the current assessment of the role of monoterpenes in secondary aerosol formation in the remote marine atmosphere is limited by the scarcity of speciated monoterpene measurements and the complete absence of collocated measurements of particle chemical composition and monoterpene speciation. Here, in this paper, we present measurements of gas-phase volatile organic compounds, with particular focus on speciated monoterpenes, and commensurate measurements of aerosol chemical composition in the Eastern North Atlantic. The average monoterpene concentration in periods of marine air was 14 ± 10 ppt, and the dominant isomer was β-pinene (46 ± 10%), with other contributions from α-pinene, limonene, and β-ocimene. The total monoterpene concentration in marine air was greater than that of isoprene by a factor of 3.9 on average, in contrast to prior research and potentially due to the large β-pinene contribution. Monoterpenes were significantly smaller in concentration than dimethyl sulfide, which was also highlighted by the substantial contribution of sulfate to non-refractory submicron aerosol. The mean and interquartile range of the sulfate to organic aerosol mass ratio in clean marine air were 2.7 (0.7–3.4). Finally, a simple box model analysis showed that the BVOC precursors, dimethyl sulfide, methanethiol, monoterpenes, and isoprene, could sustain the measured sulfate to organic aerosol ratio in clean marine air.

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

A central arctic extreme aerosol event triggered by a warm air-mass intrusion

Frequency and intensity of warm and moist air-mass intrusions into the Arctic have increased over the past decades and have been related to sea ice melt. During our year-long expedition in the remote central Arctic Ocean, a record-breaking increase in temperature, moisture and downwelling-longwave radiation was observed in mid-April 2020, during an air-mass intrusion carrying air pollutants from northern Eurasia. The two-day intrusion, caused drastic changes in the aerosol size distribution, chemical composition and particle hygroscopicity. Here we show how the intrusion transformed the Arctic from a remote low-particle environment to an area comparable to a central-European urban setting. Additionally, the intrusion resulted in an explosive increase in cloud condensation nuclei, which can have direct effects on Arctic clouds’ radiation, their precipitation patterns, and their lifetime. Thus, unless prompt actions to significantly reduce emissions in the source regions are taken, such intrusion events are expected to continue to affect the Arctic climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Electrothermal mineralization of per- and polyfluoroalkyl substances for soil remediation

Abstract Per- and polyfluoroalkyl substances (PFAS) are persistent and bioaccumulative pollutants that can easily accumulate in soil, posing a threat to environment and human health. Current PFAS degradation processes often suffer from low efficiency, high energy and water consumption, or lack of generality. Here, we develop a rapid electrothermal mineralization (REM) process to remediate PFAS-contaminated soil. With environmentally compatible biochar as the conductive additive, the soil temperature increases to >1000 °C within seconds by current pulse input, converting PFAS to calcium fluoride with inherent calcium compounds in soil. This process is applicable for remediating various PFAS contaminants in soil, with high removal efficiencies ( >99%) and mineralization ratios ( >90%). While retaining soil particle size, composition, water infiltration rate, and cation exchange capacity, REM facilitates an increase of exchangeable nutrient supply and arthropod survival in soil, rendering it superior to the time-consuming calcination approach that severely degrades soil properties. REM is scaled up to remediate soil at two kilograms per batch and promising for large-scale, on-site soil remediation. Life-cycle assessment and techno-economic analysis demonstrate REM as an environmentally friendly and economic process, with a significant reduction of energy consumption, greenhouse gas emission, water consumption, and operation cost, when compared to existing soil remediation practices.

Science & Technology - Other Topics↗
DOE OSTI2024

Mechanochemically responsive polymer enables shockwave visualization

Abstract Understanding the physical and chemical response of materials to impulsive deformation is crucial for applications ranging from soft robotic locomotion to space exploration to seismology. However, investigating material properties at extreme strain rates remains challenging due to temporal and spatial resolution limitations. Combining high-strain-rate testing with mechanochemistry encodes the molecular-level deformation within the material itself, thus enabling the direct quantification of the material response. Here, we demonstrate a mechanophore-functionalized block copolymer that self-reports energy dissipation mechanisms, such as bond rupture and acoustic wave dissipation, in response to high-strain-rate impacts. A microprojectile accelerated towards the polymer permanently deforms the material at a shallow depth. At intersonic velocities, the polymer reports significant subsurface energy absorption due to shockwave attenuation, a mechanism traditionally considered negligible compared to plasticity and not well explored in polymers. The acoustic wave velocity of the material is directly recovered from the mechanochemically-activated subsurface volume recorded in the material, which is validated by simulations, theory, and acoustic measurements. This integration of mechanochemistry with microballistic testing enables characterization of high-strain-rate mechanical properties and elucidates important insights applicable to nanomaterials, particle-reinforced composites, and biocompatible polymers.

Science & Technology - Other Topics↗
DOE OSTI2026

Gauging nexus between topological and fracton phases

Coupled layer constructions are a valuable tool for capturing the universal properties of certain interacting quantum phases of matter in terms of the simpler data that characterizes the underlying layers. In the study of fracton phases, the X-Cube model in 3+1D can be realized via such a construction by starting with a stack of 2+1D Toric Codes and turning on a coupling which condenses a composite "particle-string" object. In a recent work [Phys. Rev. B 112, 125124 (2025)], we have demonstrated that in fact, the particle-string can be viewed as a symmetry defect of a topological 1-form symmetry. In this paper, we study the result of gauging this symmetry in depth. We unveil a rich gauging web relating the X-Cube model to symmetry protected topological (SPT) phases protected by a mix of subsystem and higher-form symmetries, subsystem symmetry fractionalization in the 3+1D Toric Code, and non-trivial extensions of topological symmetries by subsystem symmetries. Here, our work emphasizes the importance of topological symmetries in non-topological, geometric phases of matter.

Anyons↗
DOE OSTI2022

Cobalt-Free Cathodes for Next Generation Li-Ion Batteries

In this U.S. Department of Energy sponsored project Nexceris, in collaboration with project partners; The Ohio State University and Navitas Advanced Systems have advanced the technical maturity of a non-cobalt containing cathode for next-generation Li-ion batteries. The cathode is based on the lithium manganese nickel-titanium oxide, LiNi 0.5 Mn 1.5 TiO 4 (LNMTO) high voltage spinel. To address limitations with poor cycle and calendar life an microstucturally hierarchical LNMO/LNMTO core-shell cathode powder has been developed that enables the formation of a solid-electrolyte interface that effectively passivates the cathode surface. The microstructural enhancements of the cathode material focus on preferentially enriching the surface with titanium. In parallel, new, optimized binder and electrolyte chemistries have been incorporated to address degradation mechanisms associated with high-voltage systems. Single-layer pouch cell and large-format 2-Ah cell testing have shown that an optimized LNMO/LNMTO core-shell powder significantly improves initial cell capacity and cycle life compared to homogeneous LNMO powder. To support development and the fabrication of 2-Ah cells a novel Hybrid Alternative Wet-Chemical Synthesis (HAWCS) process have been developed. This low-cost, synthesis approach enables the excellent compositional and particle morphology control achieved with co-precipitation without the strict process controls and associated expensive process equipment.

25 ENERGY STORAGE↗
DOE OSTI2024

Catalyst Layer Design, Manufacturing and In-line Quality Control

In this project we successfully demonstrated the capabilities of the Reactive Spray Deposition Technology (RSDT) to fabricate large-scale CCMs for advanced PEMWEs that have one-order of magnitude lower PGM loading in their catalyst layers, and performance comparable with the commercial state-of-the-art CCMs. The RSDT is a unique methodology that combines the catalyst synthesis and CCM fabrication in one step and reduces dramatically the time for CCM manufacturing. As fabricated large-scale CCMs with geometric area of 680 cm2 demonstrated excellent activity and durability performance, and the novel duo-recombination layer design paves the way for solving the safety concerns related to PEMWEs. In addition, excellent activity and durability performance has been demonstrated with RSDT fabricated CCMs with thinner membranes and duo RL design. This is a novel approach for further performance improvement of the MEAs for PEMWEs that has been successfully demonstrated for the first time in this project. The integration of the in-situ laser diagnostics system along with the in-line optical quality control system within the RSDT that has been achieved and demonstrated in this project, is an example for possibility of designing and building advanced manufacturing technologies that can meet the requirements of the future manufacturing. Therefore, the RSDT offers a precise real-time monitoring and control of the particles size, composition, loading, porosity, thickness, and defects in the catalysts’ layers, which render this technology as the best candidate for manufacturing of cost effective CCMs for PEMWEs. By using RSDT we successfully met all project’s milestones, Go/No-Go decision, objectives, goals, and deliverables.

08 HYDROGEN↗
DOE OSTI2024

Summary of Leach-Burn-Leach Round-Robin Test Results

Tristructural isotropic (TRISO) coated particle fuel is of interest to multiple member states associated with the Generation IV International Forum (GIF). Qualification and acceptance testing of TRISO fuel includes the determination of particle defect fractions and impurities in the as-fabricated TRISO fuel particle and/or composited fuel form, which are typically determined using burn-leach (BL) or leach-burn-leach (LBL) analysis methods. A round-robin test focusing on LBL analysis was undertaken by the GIF Very High Temperature Reactor System Fuel and Fuel Cycle Project Management Board. Participating in this LBL round-robin test were research staff from the Institute of Nuclear and New Energy Technology (INET) in the People’s Republic of China, the Korean Atomic Energy Research Institute (KAERI) in the Republic of Korea, and Oak Ridge National Laboratory (ORNL) in the United States of America. The motivation of this LBL benchmarking exercise was to explore consistency in results generated by LBL and to elucidate the potential influence of variations in the procedures used by the participating members on the accurate determination of the measured fuel properties.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Scintillator Manufacture

This paper will be a literature review of composite scintillators, and their applications in neutron detection. Due to the shortage of 3 He, the traditional medium for neutron detection, new materials need to be explored for this purpose. Composite scintillating particle materials can serve as a solution to replace 3 He, offering faster response times, and all-solid-state form factors for diversified applications in the field. This project will include manufacturing Europium (Eu) and Sodium (Na) doped LiCaAlF 6 (LiCAF) scintillating particles for neutron detection.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Grinding and Pelleting Characteristics of Municipal Solid Waste Fractions

The efficient utilization of low-cost carbon feedstocks, such as municipal solid waste (MSW), in biorefineries has become increasingly important for reducing GHG emissions and meeting the growing demand for renewable energy sources. However, MSW as a feedstock presents several challenges, including high moisture content, compositional variability, particle size and shape, density, and ash content. To address these challenges, the potential of mechanical dewatering and high-moisture pelleting processes for densifying MSW fractions, such as paper, cardboard, thin plastic, and thick plastic, into low-cost carbon feedstocks with improved handling and conversion properties were investigated. The effect of these preprocessing technologies on the critical quality attributes (CQAs) of the resulting pellets, including bulk density, durability, and size uniformity, were evaluated. The results showed that with these preprocessing technologies, the paper and cardboard fractions could be pelleted at moisture contents over 40% (w.b.) while achieving >99% durability and >300 kg/m3, while the high moisture plastic fractions were not suitable for pelleting. The thick plastic fraction processed in a screw press was shown to remove up to 30% of the moisture content in a single pass. These findings suggest that these mechanical preprocessing technologies can improve the physical properties of low-cost municipal solid waste fractions for biofuels production.

09 BIOMASS FUELS↗