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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Cosmological decoherence from thermal gravitons

A bstract We study the effects of gravitationally-driven decoherence on tunneling processes associated with false vacuum decays, such as the Coleman-De Luccia instanton. We compute the thermal graviton-induced decoherence rate for a wave function describing a perfect fluid of nonzero energy density in a finite region. When the effective cosmological constant is positive, the thermal graviton background sourced by a de Sitter horizon provides an unavoidable decoherence effect, which may have important consequences for tunneling processes in cosmological history. We discuss generalizations and consequences of this effect and comment on its observability and applications to black hole physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Argonaute and Dicer are essential for communication between Trichoderma atroviride and fungal hosts during mycoparasitism

ABSTRACT Trichoderma species are known for their mycoparasitic activity against phytopathogenic fungi that cause significant economic losses in agriculture. During mycoparasitism, Trichoderma spp. recognize molecules produced by the host fungus and release secondary metabolites and hydrolytic enzymes to kill and degrade the host’s cell wall. Here, we explored the participation of the Trichoderma atroviride RNAi machinery in the interaction with six phytopathogenic fungi of economic importance. We determined that both Argonaute-3 and Dicer-2 play an essential role during mycoparasitism. Using an RNA-Seq approach, we identified that perception, detox, and cell wall degradation depend on the T. atroviride -RNAi when interacting with Alternaria alternata, Rhizoctonia solani AG2 , and R. solani AG5. Furthermore, we constructed a gene co-expression network that provides evidence of two gene modules regulated by RNAi, which play crucial roles in essential processes during mycoparasitism. In addition, based on small RNA-seq, we conclude that siRNAs regulate amino acid and carbon metabolism and communication during the Trichoderma -host interaction. Interestingly, our data suggest that siRNAs might regulate allorecognition ( het ) and transport genes in a cross-species manner. Thus, these results reveal a fine-tuned regulation in T. atroviride dependent on siRNAs that is essential during the biocontrol of phytopathogenic fungi, showing a greater complexity of this process than previously established. IMPORTANCE There is an increasing need for plant disease control without chemical pesticides to avoid environmental pollution and resistance, and the health risks associated with the application of pesticides are increasing. Employing Trichoderma species in agriculture to control fungal diseases is an alternative plant protection strategy that overcomes these issues without utilizing chemical fungicides. Therefore, understanding the biocontrol mechanisms used by Trichoderma species to antagonize other fungi is critical. Although there has been extensive research about the mechanisms involved in the mycoparasitic capability of Trichoderma species, there are still unsolved questions related to how Trichoderma regulates recognition, attack, and defense mechanisms during interaction with a fungal host. In this work, we report that the Argonaute and Dicer components of the RNAi machinery and the small RNAs they process are essential for gene regulation during mycoparasitism by Trichoderma atroviride .

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Keystone Solar Future Project (KSFP)

The Keystone Solar Future Project (KSFP, also referred to as “Keystone Project” in the report) implements a cost-effective, secure, reliable, and safe technology platform that paves the way for future interconnected distributed energy resources (DER), creates a framework that enables high penetration of DER, and transforms the DER interconnection process. The project is important and necessary in a few aspects. First, the industry definition of Distributed Energy Resource Management System (DERMS) is not yet validated against field deployments and mostly implemented in small pilots relying on third party integration. Keystone project implements a direct plug and play communication to inverter based DER systems. Secondly, most interconnection application portal is not yet fully integrated with back-end system, thus lacks the capability to drive a complete and accurate modeling of DER assets into the planning and operational systems. Keystone project rolled out a fully integrated modeling process of DERs from interconnection to operational management. Lastly, customers were given an opportunity to learn about the advanced functions of the inverters and take full advantages of their benefits through participation in the pilot program. During the project, the technical effectiveness and economic feasibility of DER management were investigated and demonstrated in real life events and simulation studies. The project highlighted the importance of coordinated DER interconnection, installation and management with the rest of the distribution system.

14 SOLAR ENERGY↗
DOE OSTI2020

The LPM effect in sequential bremsstrahlung: nearly complete results for QCD

The splitting processes of bremsstrahlung and pair production in a medium are coherent over large distances in the very high energy limit, which leads to a suppression known as the Landau-Pomeranchuk-Migdal (LPM) effect. We continue study of the case when the coherence lengths of two consecutive splitting processes overlap (which is important for understanding corrections to standard treatments of the LPM effect in QCD), avoiding soft-emission approximations. Previous work has computed overlap effects for double splitting g → gg → ggg. To make use of those results, one also needs calculations of related virtual loop corrections to single splitting g → gg in order to cancel severe (power-law) infrared (IR) divergences. This paper provides calculations of nearly all such processes involving gluons and discusses how to organize the results to demonstrate the cancellation. In the soft emission limit, our results reproduce the known double-log behavior of earlier authors who worked in leading-log approximation. We also present a first (albeit numerical and not yet analytic) investigation of sub-leading, single IR logarithms. Ultraviolet divergences appearing in our calculations correctly renormalize the coupling αs in the usual LPM result for leading-order g → gg.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Polyelectrolyte Complex Coacervate Assembly with Cellulose Nanofibers

Polyelectrolytes are used in paper manufacturing to increase flocculation and water drainage and improve mechanical properties. In this study, we examine the interaction between charged cellulosic nanomaterials and polyelectrolyte complex coacervates of weak polyelectrolytes, polyacrylic acid salt, and polyallylamine hydrochloride. We observe that by changing the order of addition of the polyelectrolytes to cellulose nanofibers (CNFs), we can tune the interactions between the materials, which in turn changes the degree of association of the coacervates to the CNFs and the rate at which they aggregate. Importantly for the papermaking process, when adding the polyelectrolytes sequentially to the CNFs, we found faster aggregation to the fibers and lower water retention values compared to those when preformed coacervates or CNFs by themselves were used. Coarse-grain molecular dynamic simulations further support the fundamental mechanism of aggregation by taking into consideration the interaction between cellulose and the complexes at the molecular level. The simulations corroborate the experimental observations by showing the importance of strong electrostatic interactions in aggregate formation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

KOMPASS: Compaction of crushed salt for the safe containment

In Germany, rock salt formations are a possible host rock taken into account for the safe disposal of heat-emitting radioactive waste. With respect to crushed salt will be used in the repository for backfilling of open cavitied (using dry material). With time, the crushed salt will be compacted by the convergence of the host rock and reaches porosities comparable with the rock salts. The compaction behaviour of crushed salt has been investigated within the last 40 years, however, its behaviour at low porosities and the resulting low permeabilities becomes relevant with the introduction of the approach of the containment providing rock zone. In the current state, the database and process understanding have some important gaps in knowledge referring the material behaviour, existing laboratory and numerical models, especially for the porosity range. The objective of this project was the development of methods and strategies for the reduction of deficits in the prediction of crushed salt compaction leading to an improvement of the prognosis quality. It includes the development of experimental methods for determining crushed salt properties in the range of low porosities, the enhancement of process understanding and the investigation and development of existing numerical models.

Crushed salt compaction↗
DOE OSTI2023

Multiscale and Machine Learning Modeling for Additive Manufacturing

Additive manufacturing (AM) techniques provide the opportunity to simultaneously design new materials and components with complex structures in less time, enabling faster material developments. Even though compositionally similar, the texture of the materials produced by such techniques is significantly different from conventionally manufactured materials. Additively manufactured materials produces highly heterogeneous microstructure within a single build. Such variations in the microstructure make qualifying AM products challenging for extreme environment applications. Understanding the AM process and its influence on the materials’ microstructures/properties is paramount for evaluating the workability and performance of the manufactured materials. The performance of AM materials for advanced nuclear reactor applications is of interest to the Advanced Materials and Manufacturing Technologies (AMMT) program under the Department of Energy Office of Nuclear Energy. Hence, considering the microstructural variabilities in the AM products and their impact on the performance of the material, it is important to correlate the process conditions to the final product and establish a process-structure-property- performance (PSPP) correlation for AM materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Air temperature and precipitation constraining the modelled wetland methane emissions in a boreal region in northern Europe

Wetland methane responses to temperature and precipitation are studied in a boreal wetland-rich region in northern Europe using ecosystem process models. Six ecosystem models (JSBACH-HIMMELI, LPX-Bern, LPJ-GUESS, JULES, CLM4.5, and CLM5) are compared to multi-model means of ecosystem models and atmospheric inversions from the Global Carbon Project and upscaled eddy covariance flux results for their temperature and precipitation responses and seasonal cycles of the regional fluxes. Two models with contrasting response patterns, LPX-Bern and JSBACH-HIMMELI, are used as priors in atmospheric inversions with Carbon Tracker Europe–CH4 (CTE-CH4) in order to find out how the assimilation of atmospheric concentration data changes the flux estimates and how this alters the interpretation of the flux responses to temperature and precipitation. Inversion moves wetland emissions of both models towards co-limitation by temperature and precipitation. Between 2000 and 2018, periods of high temperature and/or high precipitation often resulted in increased emissions. However, the dry summer of 2018 did not result in increased emissions despite the high temperatures. The process models show strong temperature and strong precipitation responses for the region (51 %–91 % of the variance explained by both). The month with the highest emissions varies from May to September among the models. However, multi-model means, inversions, and upscaled eddy covariance flux observations agree on the month of maximum emissions and are co-limited by temperature and precipitation. The setup of different emission components (peatland emissions, mineral land fluxes) has an important role in building up the response patterns. Considering the significant differences among the models, it is essential to pay more attention to the regional representation of wet and dry mineral soils and periodic flooding which contribute to the seasonality and magnitude of methane fluxes. The realistic representation of temperature dependence of the peat soil fluxes is also important. Furthermore, it is important to use process-based descriptions for both mineral and peat soil fluxes to simulate the flux responses to climate drivers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Fundamental data for modeling electron-induced processes in plasma remediation of perfluoroalkyl substances

Plasma treatment of per- and polyfluoroalkyl substances (PFAS) contaminated water is a potentially energy efficient remediation method. In this treatment, an atmospheric pressure plasma interacts with surface-resident PFAS molecules. Developing a reaction mechanism and modeling of plasma–PFAS interactions requires fundamental data for electron–molecule reactions. In this paper, we present results of electron scattering calculations, potential energy landscapes and their implications for plasma modelling of a dielectric barrier discharge in PFAS contaminated gases, a first step towards modelling of plasma–water–PFAS intereactions. It is found that the plasma degradation of PFAS is dominated by dissociative electron attachment with the importance of other contributing processes varying depending on the molecule. All molecules posses a large number of shape resonances – transient negative ion states – from near-threshold up to ionization threshold. These states lie in the region of the most probable electron energies in the plasma (4–5 eV) and consequently are expected to further enhance the fragmentation dynamics in both dissociative attachment and dissociative excitation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The Novel Charfuel® Coal Refining Process 18 TPD Pilot Plant Project for Co- Producing an Upgraded Coal Product, and Commercially Valuable Co- Products: Area of Interest #3 – Coal Beneficiation Pilot Plant Testing (Final Report)

Operation of Carbon Fuels, LLC’s (“CF”) existing, permitted 18 TPD pilot plant located in Golden, Colorado using two individually ranked (ASTM D 388) coal types (two campaigns), employing the novel Charfuel® coal refining process to produce an upgraded coal product and a number of high-valued organic and inorganic coproducts (for which there presently exists large commercial markets) in order to produce engineering and product data which will then be utilized toward the design of a commercial scale integrated facility (pre-feed document). Carbon Fuels, LLC has developed the Charfuel® Coal Refining Process which refines domestically abundant, raw coal (in the same manner as crude oil is refined) to produce the identical, high value co-products that are refined from crude oil. Thus, gasoline, jet fuel, “green diesel”, fuel oil, and marine fuels, as well as petrochemicals such as benzene, toluene, xylene, and methanol are refined from raw coal using this process. The Charfuel® Coal Refining Process is not a coal conversion process, like pyrolysis, or indirect liquefaction. Nor is it an alternative energy system. Rather it is a coal refining process that has the ability to economically produce products traditionally associated with the refining of crude oil but using only abundant, raw coal as the refinery feed stock. The Charfuel® Coal Refining Process is more economical than crude oil refining and is environmentally benign. Therefore, this value added process yields a return on investment well above 50% for a commercial facility. Furthermore, the Charfuel® process, unlike alternatives such as ethanol and hydrogen, can utilize the existing transportation, delivery, and other petroleum based systems. Hence, there is no need for new engines, pipelines, tankers, or product acceptance. As a result, the profitability of the process is increased. Objectives: (1) Operation of the integrated 18 tpd pilot plant, using two coal types (ranks); (2) Demonstration of process flexibility in being able to produce different products (gas, liquid, and char), as well as determination of operating parameters for identifying scale up criteria for two coal types (ranks); (3) Generation of engineering and design information (process specifications) for use in designing a commercial scale plant (scale-up); (4) Determination of important environmental issues surrounding the process and the products such as fate of trace elements (mercury and other heavy metals) and distributions of SO2, NOx, and CO 2 by analysis of effluent streams; (5) Production of sufficient product to allow reliable commercial economic evaluation of both the refined coal product and the coproducts; and, (6) Assessment of longer-term reliability of unit operations. Period 1: reconfiguration of the 18 TPD plant to meet specific FOA requirements and to qualify the facility for operation; and, Period 2: operation of the 18 TPD plant for two campaigns using two coals types (ranks) which are widely commercially used and abundant - the first being a subbituminous (Powder River Basin (“PRB”)) coal, and the second a bituminous (Illinois #6) coal.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

The Rate of Canopy Development Modulates the Link Between the Timing of Spring Leaf Emergence and Summer Moisture

Shifts in phenological timing have important implications for ecosystem processes, with spring leaf emergence as a dominant control of carbon, water, and energy cycling. Phenological events are predominantly determined by weather and climate, therefore dynamic in time and sensitive to climate feedbacks. Improving our understanding of how ecosystems respond to changes in phenological timing will enhance our ability to assess summer soil water availability, since the timing of spring leaf emergence may lead to soil moisture deficits later in the growing season. We leveraged data from five AmeriFlux towers in central and eastern United States to investigate the extent spring leaf emergence (i.e., start of spring, SoS ) influences rates at which forest canopies develop and how this impacts summer soil moisture ( θ JJA ) variability. Our results indicate that ecosystem processes, specifically gross primary production ( GPP ) and evapotranspiration ( ET ), exhibit compensatory responses to varying leaf emergence; with delayed spring-onset, the canopy developed more quickly, resulting in rapid GPP and ET increases, consistent across sites. Nonetheless, early SoS is a relatively good indicator for potential summer soil water deficits, particularly when it occurs together with meteorological conditions (i.e., lower-than-average precipitation, hot summer temperatures) that contribute to soil water deficits. When these meteorological conditions coincide with early SoS , θ JJA deficits are exacerbated. To the extent that these extreme conditions occur more frequently under future climate scenarios, the dynamics of spring phenology and hydroclimate may play an increasingly important role in portending the likelihood of summer water deficits, which are projected to become more severe.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Present and Future Changes in Land‐Atmosphere Coupling of Water and Energy Over Extratropical Forest Regions

Abstract Couplings between land and the near surface atmosphere are modulated by interactions between soil conditions, vegetation dynamics, turbulent fluxes, and atmospheric properties. How the land‐atmosphere coupling responds to warming and elevated CO 2 are important for understanding the land surface carbon, energy, and water cycles. In this work, we documented this coupled land‐atmosphere network based on observations and the Energy Exascale Earth System Model (E3SM) simulations over extratropical forest ecosystems. We employed a transfer entropy approach and novel network metrics to reveal patterns and strength of the land‐atmosphere coupling under historical conditions and a future high emission scenario (SSP585). We found that, in observations, the present‐day extratropical forest coupling network has high network connectivity (72%–88% of the targeted processes are coupled). E3SM reasonably captured the extratropical forest coupling network (modeled network connectivity was 81%–96%) and predicted that the coupling strength would significantly increase by 28% (±3%) under warming and elevated CO 2 conditions. Furthermore, E3SM factorial coupled experiments suggested that warming enhanced soil nitrogen mineralization favoring plant nitrogen uptake and vegetation growth were responsible for the strengthening future land‐atmosphere coupling. This work provides new metrics to analyze and document complex couplings for coupled earth system processes and highlights the important roles soil nutrient availability and biogeochemistry have on land‐atmosphere coupling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Microbial and Environmental Processes Shape the Link between Organic Matter Functional Traits and Composition

Dissolved organic matter (DOM) is a large and complex mixture of molecules that fuels biogeochemical reaction in virtually all ecosystems on Earth. However, the relative importance of deterministic and stochastic processes in structuring DOM composition remains poorly characterized. Here we develop a framework for partitioning molecular composition based on key molecular traits, including lability vs. recalcitrance and activity vs. inactivity. Within this framework, we examine the ecological processes governing the assembly of DOM fractions by deploying aquatic microcosms on mountainsides that span gradients of temperature and nutrient loading in subtropical and subarctic ecosystems. Across study regions, deterministic and stochastic processes primarily structure active and inactive fractions, respectively. However, recalcitrant molecules are more deterministically assembled than labile molecules in the inactive fraction. Deterministic processes leading to variable selection generally exhibit more variation across the energy supply gradient for inactive fractions, and their importance increases with energy supply for recalcitrant molecules in both active and inactive fractions. Together, our results indicate that active and inactive fractions of DOM assemblages are structured by contrasting ecological processes, and their recalcitrant components are sensitive to global change. In conclusion, our framework opens new avenues to understand the assembly and turnover of DOM in a changing world, which can be used to predict carbon cycling at local to global scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Nonlinear X-ray Optics

Novel X-ray free-electron lasers (XFELs) are capable of producing radiation with unprecedented properties. Specifically, their ultrashort coherent X-ray pulses can generate extreme peak intensities where ordinary rules of light-matter interaction may no longer apply, and nonlinear processes start to become important. XFELs have made it possible to observe some of the most important coherent non-sequential nonlinearities, including X-ray-optical sum frequency generation (SFG), X-ray second harmonic generation (XSHG), two-photon absorption (TPA) and nonlinear two-photon Compton scattering (2PCS). In particular, the 2PCS experiment has led to unexpected results, namely the observation of a substantial anomalous red shift in the energy of photons generated by nonlinear two-photon X-ray Compton scattering in beryllium. The energy shift is in addition to the predicted nonlinear Compton shift and was neither expected from extrapolations from linear X-ray interactions nor from nonlinear effects at optical wavelengths. Our results suggest a novel nonlinear scattering mechanism that can only be observed at high fields at X-ray wavelengths, where the photon energy is a significant fraction of the electron rest mass (and thus a significant momentum transfer to the electron occurs during the scattering) and where the interaction is not dominated by the quiver motion of the electron in the field (ponderomotive potential) as is usually the case at longer (optical) wavelengths. The goal of this research project was the investigation of fundamental nonlinear X-ray-matter interactions. As these processes are typically weak, part of this research is the exploration of more efficient nonlinear X-ray processes by studying novel mechanisms including solid-state effects, the assistance of optical radiation and novel phase-matching techniques. These experiments require extremely large X-ray field strengths, such as produced by XFELs. Nonlinear X-ray effects can lead to important applications in many research fields. For example, it could lead to instantaneous plasma diagnostics for materials in extreme conditions, as a method for combining atomic-scale structural sensitivity with chemical specificity, or as a probe of electron dynamics in solids on the attosecond (1 as = 10 -18 s) time- and Ångstrom (10 -10 m) length scales. In addition, a detailed understanding of nonlinear X-ray matter interactions is crucial for understanding and extending the limits of structural determination at high intensity such as in serial femto-crystallography. The results could have a profound impact on advanced XFEL light sources such as the LCLS-II.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Bulk Diffusion of Cl through O Vacancies in α-Cr 2 O 3 : A Density Functional Theory Study

Many metals form passive oxides which are broken or weakened by anionic-induced degradation leading to material failure and anionic diffusion is an important step of this degradation process. The diffusion of anionic species through oxides involves a combination of diffusion along grain boundaries, cracks, and channels, as well as bulk diffusion via point defects which is the focus of this study. Using density functional theory, we study bulk diffusion of Cl through O vacancies in α -Cr 2 O 3 as a model system for passive metal oxides. Little is known about Cl diffusion and bonding characteristics, so we benchmark our work through comparison to numerous studies on O diffusion in α -Cr 2 O 3 to analyze similarities and differences between the O and Cl diffusion in the passivation and degradation process of α -Cr 2 O 3 respectively. Unlike O diffusion, the lowest diffusion barrier for Cl is cross-plane diffusion between two (0001) planes through a vacant cation site but the much shorter in-plane diffusion path within the same coordination polyhedron has 35% higher barrier. This work provides the basis for considering the contributions of Cl bulk-diffusion in the overall diffusion kinetics of Cl through α -Cr 2 O 3 .

Oware Sarfo, Kofi↗
DOE OSTI2026

Upgrading Biogas through in situ Conversion of Carbon Dioxide to Biomethane in Anaerobic Digesters

Organic waste streams generated by wastewater treatment plants, agricultural operations, and food processing industries represent an important yet underutilized opportunity for renewable energy production in the United States. Through anaerobic digestion, these waste streams can produce biogas, a mixture primarily composed of methane (CH4) and carbon dioxide (CO2), that can be upgraded to pipeline-quality natural gas. However, most existing upgrading technologies remove CO2 from biogas rather than utilizing it, leaving a significant portion of the potential energy unused. This project investigates a novel biological upgrading approach that converts CO2 into additional CH4 by supplying hydrogen (H2) to specialized microorganisms capable of performing hydrogenotrophic methanation. The main challenges associated with biological biogas upgrading are related to hydrogen supply, gas-liquid mass transfer, and process stability. First, due to the high cost of hydrogen gas, it is preferable that H2 be produced on-site using renewable energy sources such as wind or solar power. Second, hydrogen has low solubility in liquids, which limits its availability to microorganisms and requires strategies to improve gas dissolution and transfer within the reactor. Third, process inhibition may occur as a result of increased pH caused by CO2 consumption or elevated H2 partial pressure, both of which can negatively affect methanogenic activity. Although research in these areas has advanced during the course of this project, these challenges have not yet been fully resolved. To date, the biological systems that have achieved the highest methane concentrations are typically ex-situ reactors, where operational conditions can be more easily controlled. For this reason, the findings of the present project remain highly relevant. The project goal was to develop an innovative system that can accomplish biogas upgrading via biological conversion of CO2 to CH4, in a novel hybrid approach that combines the advantages of both in-situ and ex-situ systems. The proposed system employs a three-phase upflow anaerobic bioreactor with H2 delivery through a gas-permeable membrane, enabling efficient hydrogen transfer and microbial conversion. Under optimized operating conditions, the system achieved 99% H2 consumption and 90% CO2 conversion. A subsequent gas cleaning stage was implemented to further improve gas quality and meet target purity standards. The upgraded gas composition reached 97.7% CH4, 2.2% CO2, and 0.97% O2, while H2S concentrations remained below detection limits. In addition, a flue gas-driven inorganic thermoelectric generator (TEG) system was designed and experimentally validated as a potential source of electricity for H2 production. The system consisted of six TEG modules connected in series and achieved an open-circuit voltage of 4.5 V and a maximum power output of 224 mW at a temperature difference of approximately 53.5 °C, demonstrating effective conversion of waste heat into electrical power under simulated flue gas conditions. Finally, a comprehensive techno-economic analysis was completed to evaluate the capital and operating costs associated with the proposed system. The results provide important insights to guide future scale-up, optimization, and potential deployment of integrated biological biogas upgrading technologies.

09 BIOMASS FUELS↗
DOE OSTI2025

High-throughput multimodal exploration of a nanocrystalline Cu-Ag library

Sputter-deposited, nanocrystalline Cu-Ag thin films produced across a broad compositional and deposition-parameter space were evaluated to unravel the process-structure-property relationships important for creating hard, conductive electrical contacts and coatings. Combinatorial deposition involving pulsed direct current magnetron sputtering of elemental targets enabled swift examination of nearly the full range of alloy compositions and a relevant portion of deposition atomistics. Several high-throughput characterization modalities were employed to evaluate the chemistry, structure, and properties of the films. The resultant hardness, modulus, film density, crystal texture, and resistivity were analyzed in terms of key deposition characteristics (incident atom kinetic energy and incidence angle) predicted by binary-collision, kinematic Monte Carlo simulations. The study revealed improved hardness, parabolic resistivity dependence on composition, and compositional and process dependencies of film tarnishing. The results are discussed in the context of variations in microstructure and film density. Transmission electron microscopy and X-ray diffraction demonstrate several forms of compositional variation including solute segregation to grain boundaries as well as periodic, intragranular compositional modulations. Annealing of a Cu-rich alloy film exhibiting grain boundary segregation showed that this as-deposited, compositional variation is not stable above 100 °C. Finally, the Cu-Ag system is shown to have potential for hard, conductive, tarnish-resistant and room temperature-stable nanocrystalline thin films across the composition space.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Phase Separation in Ultramassive White Dwarfs

We report ultramassive white dwarfs are extreme endpoints of stellar evolution. Recent findings, such as a missing multi-Gyr cooling delay for a number of ultramassive white dwarfs and a white dwarf with a quasi-Chandrasekhar mass, motivate a better understanding of their evolution. A key process still subject to important uncertainties is the crystallization of their dense cores, which are generally assumed to be constituted of 16 O, 20 Ne, and a mixture of several trace elements (most notably 23 Na and 24 Mg). In this work, we use our recently developed Clapeyron integration technique to compute accurate phase diagrams of three-component mixtures relevant to the modeling of O/Ne ultramassive white dwarfs. We show that, unlike the phase separation of 22 Ne impurities in C/O cores, the phase separation of 23 Na impurities in O/Ne white dwarfs cannot lead to the enrichment of their cores in 23 Na via a distillation process. This severely limits the prospect of transporting large quantities of 23 Na toward the center of the star, as needed in the white dwarf core-collapse mechanism recently proposed by Caiazzo et al. We also show that despite representing ≈10% of the ionic mixture, 23 Na and 24 Mg impurities only have a negligible impact on the O/Ne phase diagram, and the two-component O/Ne phase diagram can be safely used in white dwarf evolution codes. We provide analytic fits to our high-accuracy O/Ne phase diagram for implementation in white dwarf models.

79 ASTRONOMY AND ASTROPHYSICS↗