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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Interplay of microbial communities with mineral environments in coralline algae

Coralline algae are worldwide carbonate builders, considered to be foundational species and biodiversity hotspots. Coralline habitats face increasing pressure from human activities and effects related to Global Change, yet their ecological properties and adaptive responses remain poorly understood. The relationships of the algal microbiota with the mineral bioconstructions, as well as plasticity and resilience of coralline holobionts in a changing environment, are of particular interest. In the Gulf of California, Neogoniolithon trichotomum (Rhodophyta) is the main carbonate builder in tidal pools. We performed a multi-disciplinary assessment of the N. trichotomum microstructure using XRD, SEM microscopy and SR-FTIR spectromicroscopy. In the algal perithallus, magnesium-calcite and aragonite were spatially segregated and embedded in a polysaccharide matrix (rich in sulfated polysaccharides). Mg-calcites (18-19 mol% Mg) were the main mineral components of the thallus overall, followed by iron carbonates related to dolomite (ankerite) and siderite. Minerals of late evaporitic sequences (sylvite and bischofite) were also present, suggesting potential halophilic microenvironments within the algal thalli. The diverse set of abundant halophilic, halotolerant and oligotrophic taxa, whose abundance increase in the summer, further suggests this condition. We created an integrated model, based on environmental parameters and the microbiota distribution, that identified temperature and nutrient availability (particularly nitrate and silicate) as the main parameters related to specific taxa patterns. Among these, Hahella, Granulossicoccus, Ferrimonas, Spongiibacteraceae and cyanobacterial Xenococcaceae and Nostocaceae change significantly between seasons. These bacterial components might play relevant roles in algal plasticity and adaptive responses to a changing environment. This study contributes to the understanding of the interplay of the prokaryotic microbiota with the mineral microenvironments of coralline algae. Because of their carbonates with potential resistance to dissolution in a higher pCO 2 world and their seasonally dynamic bacteria, coralline algae are relevant targets to study coastal resilience and carbonated systems responses to changing environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics

Data package for Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon This data is published under a CC0 license. The authors encourage data reuse and request attribution by referencing the below citations for the data packages and associated manuscript. Please cite as: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics. [Data Set] PNNL DataHub. doi: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. MSV000097435: GLBRC soil yearlong incubation 13C-SIP-Lipidomics [Data Set] MassIVE. doi:10.25345/C57659T3K Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon. In Prep This data package consists of compound-specific 13C SIP-lipidomics data from a yearlong tracer incubation experiment designed to investigate microbial lipid persistence in switchgrass bioenergy crop soils. In order to explore how lipid structure may modulate the persistence of C in soil lipids, we leveraged soils from two sites (Michigan - sandy texture, Wisconsin - silty texture) operated by the U.S. Department of Energy-funded Great Lakes Bioenergy Research Center (GLBRC). These sites had comparable climates, identical management practices, but contrasting soil textures, allowing us to assess the variability of lipid accrual or degradation in soils as well as provide insight regarding the degree to which edaphic properties may regulate the retention of soil lipids. Untargeted lipidomics analyses were performed to identify 13C-labeled lipids in the soil microbiome after long-term incubation. Soils were supplemented with 100 micrograms glucose per gram dry soil (99 atom % 13C or natural abundance for paired control) and incubated; samples were collected two months and one year after glucose addition. Lipid extracts (MPLEx) were analyzed by LC-MS/MS and identified using LIQUID. Calculation of isotopic enrichment of lipids was performed by targeted approach using TarMet to quantify lipid isotopologues and IsoCorrectoR to correct for natural abundance isotopes. Contents: Data package contents reported here are the first version and contain downstream analysis files for the raw LC-MS mass spectrometry files (.mzXML) deposited at the MassIVE database repository under accession MSV000097435 (80 experimental runs; 5.85 GB) | MassIVE DOI: 10.25345/C57659T3K. Support files include the additional data download 'Read Me' file containing data descriptor information. Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. Data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location. Available Data Downloads (0.3 GB): "GLBRC soil yearlong incubation 13C-SIP-Lipidomics_readme.txt" - 'Read Me' data package content file (txt) "GLBRC_DataPackage_analysis files" - Data processing files (Rmd) and saved intermediate data processing outputs (rds, csv, xlsx) "GLBRC_13C_lipidomics_dataset.xlsx" - processed data in tabular format (xlsx) Linked Software: LIQUID LC-MS Analysis Software | 10.5281/zenodo.6459462 Lipid Mini-On Software Tools | 10.5281/zenodo.1492803 pmartR Omics Statistical Software | 10.5281/zenodo.6108667 xcms (v4.3.3) TarMet (v1.1.1) IsoCorrectoR (1.24.0) Funding Acknowledgments: This research was supported by an Early Career Research Program award funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (OBER) Genomic Science program under FWP 68292, FWP 07880 and EMSL Exploratory Research Project 51095. A portion of this work was performed in the William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by OBER and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated by Battelle for the DOE under Contract DE-AC05-76RLO1830.

Rempfert, Kaitlin R [Pacific Northwest National La↗
DOE OSTI2022

Atomistic modeling of tensile deformation and fracture of carbon fibers: Nanoscale stress redistribution, effect of local structural characteristics and nanovoids

The mechanisms of tensile deformation and fracture of carbon fibers are investigated in large-scale molecular dynamics simulations. The simulations performed for computational samples with different structural characteristics enable analysis of the structural sensitivity of the mechanical properties. It is found that the carbon fiber nanostructure can be represented by a fine (nanoscale) mixture of stiff and soft regions. Despite the nanoscale structural heterogeneity of the computational fibers, their fracture strain and tensile strength exceed the experimental values by almost an order of magnitude. Here, this observation is explained by the ability of the carbon fiber nanostructure, largely consisting of curved and folded layers of turbostratic carbon, to exhibit continuous nanoscale load redistribution during the deformation. The transient, fluid nature of a percolating cluster of stress-holding structural elements prevents stress localization at the early stage of the deformation and enables the fiber nanostructure to adapt to the increasing load. Overall, the results of the simulations suggest that the design of advanced carbon fiber manufacturing and post-processing methods focused on the elimination of critical mesoscopic structural defects (internal voids, foreign inclusions, and surface flaws) can yield a substantial increase in the strength and fracture strain of carbon fibers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Accelerating Transitions to Zero Carbon Power Systems

As power systems evolve, becoming increasingly renewable, distributed, dynamic, and digital, managing them becomes ever more challenging and complex. System operators serve as the "air traffic controllers" for electricity grids, working to balance supply and demand, manage evolving electricity markets, and ensure the safety and reliability of electricity systems. To adapt to the rapidly changing energy landscape and support the transition to modern, zero carbon power systems, system operators must develop and adopt new technologies, approaches, and frameworks. The Global Power System Transformation (G-PST) Consortium is a network of system operators, research institutions, and industry partners working to accelerate and scale the technical solutions required to transform our world's power systems. By developing and sharing robust models and tools, research and demonstration results, knowledge, and innovation, the G-PST Consortium is empowering system operators to transition to 100% renewable energy while ensuring the reliability, safety, and cost-effectiveness of grid operations.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗
DOE OSTI2023

California's harvested wood products: A time-dependent assessment of life cycle greenhouse gas emissions

Following life-cycle assessment (LCA) methodology, this study presents a state-level estimation of embodied carbon of wood products harvested in 2019 from California and subsequently processed, manufactured, transported, used, and disposed at the end-of-life (EoL). In a conventional static approach to LCA, all GHG emissions were aggregated and considered to occur at year 0 of the given time horizon (500 years in this study) and used a static characterization factor (CF). In dynamic LCA, GHG emissions occurring in different years were considered, and their global warming impact (GWI) was determined using a time-dependent CF over the selected time horizon of 500 years. Four scenarios were developed to examine the impact of EoL choices on GWI. It was found that dynamic GWI for all scenarios ranged from 0.27 to 0.93 million tonne CO₂e, which were 45–73 % lower than those estimated with static LCA approach, indicating that the static LCA approach could lead to an underestimation of the benefits of substituting wood for non-wood products, compared to those based on dynamic LCA approach. This analysis also demonstrated that the choice of EoL treatment option is a key factor affecting the estimated GWI as it directly determines the annual emission of GHGs released into atmosphere and subsequently their warming effect depending on the time harvested wood products (HWPs) spend in the horizon of assessment. Altogether, the dynamic LCA performed in this study enabled more robust interpretations of embodied carbon by including temporal boundaries associated with the HWPs life cycle.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Virus ecology and 7‐year temporal dynamics across a permafrost thaw gradient

Abstract Soil microorganisms are pivotal in the global carbon cycle, but the viruses that affect them and their impact on ecosystems are less understood. In this study, we explored the diversity, dynamics, and ecology of soil viruses through 379 metagenomes collected annually from 2010 to 2017. These samples spanned the seasonally thawed active layer of a permafrost thaw gradient, which included palsa, bog, and fen habitats. We identified 5051 virus operational taxonomic units (vOTUs), doubling the known viruses for this site. These vOTUs were largely ephemeral within habitats, suggesting a turnover at the vOTU level from year to year. While the diversity varied by thaw stage and depth‐related patterns were specific to each habitat, the virus communities did not significantly change over time. The abundance ratios of virus to host at the phylum level did not show consistent trends across the thaw gradient, depth, or time. To assess potential ecosystem impacts, we predicted hosts in silico and found viruses linked to microbial lineages involved in the carbon cycle, such as methanotrophy and methanogenesis. This included the identification of viruses of Candidatus Methanoflorens, a significant global methane contributor. We also detected a variety of potential auxiliary metabolic genes, including 24 carbon‐degrading glycoside hydrolases, six of which are uniquely terrestrial. In conclusion, these long‐term observations enhance our understanding of soil viruses in the context of climate‐relevant processes and provide opportunities to explore their role in terrestrial carbon cycling.

Microbiology↗
DOE OSTI2020

Global gross primary production simulated by three terrestrial biosphere models to analyse smoothing of limiting rates

Processed global terrestrial gross primary production (GPP) from three terrestrial biosphere models (TBMs). Two simulations were run with each model, one that selects the rate limiting process of photosynthesis based on the minimum of the potential rates (following Farquhar et al. 1980) and the other that uses quadratic smoothing between the potential rates (following Collatz et al. 1991). The three TBMs are: 1) the Energy Exascale Earth System Model (E3SM) land model (ELM) (release: v1.1.0) (Burrows et al., 2020), a coupled carbon, nitrogen, and phosphorus model with sun/shade big-leaf canopy photosynthesis scaling. 2) The Functionally Assembled Terrestrial Ecosystem Simulator (FATES, tag: sci.1.30.0_api.8.0.0) (Koven et al., 2019), coupled with the Community Land Model (CLM, version 5; Lawrence et al., 2019), a carbon-only vegetation demography model with multi-leaf and multi-canopy layers for scaling photosynthesis, and with a leaf area index (LAI) optimisation scheme. 3) The Sheffield Dynamic Global Vegetation Model (SDGVM, tag: Walkeretal2020_GCB), a carbon-only model with multi-leaf-layer canopy photosynthesis scaling and also with an LAI optimisation scheme (Walker et al., 2017; Woodward & Lomas, 2004). These data were generated to evaluate the effect of Collatz smoothing of limiting rates on simulated GPP across a range of terrestrial biosphere models. Analysis of results can be found in Walker et al. (2020). This dataset is comprised of R scripts to process data and produce figures and .RDS files, a binary format specific to R and read with the 'readRDS' function.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Dispersal, habitat filtering, and eco-evolutionary dynamics as drivers of local and global wetland viral biogeography

Abstract Wetlands store 20–30% of the world’s soil carbon, and identifying the microbial controls on these carbon reserves is essential to predicting feedbacks to climate change. Although viral infections likely play important roles in wetland ecosystem dynamics, we lack a basic understanding of wetland viral ecology. Here 63 viral size-fraction metagenomes (viromes) and paired total metagenomes were generated from three time points in 2021 at seven fresh- and saltwater wetlands in the California Bodega Marine Reserve. We recovered 12,826 viral population genomic sequences (vOTUs), only 4.4% of which were detected at the same field site two years prior, indicating a small degree of population stability or recurrence. Viral communities differed most significantly among the seven wetland sites and were also structured by habitat (plant community composition and salinity). Read mapping to a new version of our reference database, PIGEONv2.0 (515,763 vOTUs), revealed 196 vOTUs present over large geographic distances, often reflecting shared habitat characteristics. Wetland vOTU microdiversity was significantly lower locally than globally and lower within than between time points, indicating greater divergence with increasing spatiotemporal distance. Viruses tended to have broad predicted host ranges via CRISPR spacer linkages to metagenome-assembled genomes, and increased SNP frequencies in CRISPR-targeted major tail protein genes suggest potential viral eco-evolutionary dynamics in response to both immune targeting and changes in host cell receptors involved in viral attachment. Together, these results highlight the importance of dispersal, environmental selection, and eco-evolutionary dynamics as drivers of local and global wetland viral biogeography.

Environmental Sciences & Ecology↗
DOE OSTI2021

The Gaia-ESO Survey: Oxygen Abundance in the Galactic Thin and Thick Disks

We analyze the oxygen abundances of a stellar sample representative of the two major Galactic populations: the thin and thick disks. The aim is to investigate the differences between members of the Galactic disks and contribute to the understanding of the origin of oxygen chemical enrichment in the Galaxy. The analysis is based on the [O i] = 6300.30 Å oxygen line in high-resolution spectra (R ∼ 52,500) obtained from the Gaia-ESO public spectroscopic Survey (GES). By comparing the observed spectra with a theoretical data set computed in LTE with the SPECTRUM synthesis and ATLAS12 codes, we derive the oxygen abundances of 516 FGK dwarfs for which we have previously measured carbon abundances. Based on kinematic, chemical, and dynamical considerations, we identify 20 thin and 365 thick disk members. We study the potential trends of both subsamples in terms of their chemistry ([O/H], [O/Fe], [O/Mg], and [C/O] versus [Fe/H] and [Mg/H]), age, and position in the Galaxy. The main results are that (a) [O/H] and [O/Fe] ratios versus [Fe/H] show systematic differences between thin and thick disk stars with an enhanced O abundance of thick disk stars with respect to thin disk members and a monotonic decrement of [O/Fe] with increasing metallicity, even at metal-rich regime; (b) there is a smooth correlation of [O/Mg] with age in both populations, suggesting that this abundance ratio can be a good proxy of stellar ages within the Milky Way; and (c) thin disk members with [Fe/H] ≃ 0 display a [C/O] ratio smaller than the solar value, suggesting a possibly outward migration of the Sun from lower Galactocentric radii.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Techno-Economic Analysis of a Nuclear Reactor System coupled with a Liquid Metal Battery

There is a need for nuclear reactor systems to become more dynamic as defossilization and renewable energy sources continue to reshape the energy grid. One option to meet these changing demands is to pair the reactor with an energy storage system. This work details a technoeconomic analysis and sensitivity analysis of a high temperature gas cooled microreactor, supercritical carbon dioxide power cycle, and liquid metal battery. Dynamic modeling has shown that these three systems compliment each other to provide load following and black-start capabilities to the grid. Current cost estimates for installing the systems yield a competitive levelized cost of electricity and levelized cost of storage, indicating that such a combined system may be economically viable as technological advances lead to them being technically feasible.

25 ENERGY STORAGE↗
DOE OSTI2026

Prairie State Generating Company Static and Dynamic Modeling

A reservoir modeling study was conducted to assess the feasibility of storing 162.5 million tonnes (8.125 million tonnes annually) of industrially sourced carbon dioxide (CO 2 ) in the St. Peter – Everton and Knox storage complexes at the Prairie State Generating Company’s (PSGC) site near Marissa, Washington County, Illinois (PSGC site). Two separate models were constructed for the St. Peter – Everton and the Knox storage complexes. The St. Peter and Everton sandstones are the target storage units for the St. Peter – Everton storage complex. The Knox Group formations are the target storage units for the Knox storage complex. The Maquoketa Shale is the primary confining unit for both storage complexes. The static reservoir models used as input to the dynamic reservoir models of the storage complexes were developed from interpretations of logs (e.g., gamma ray, resistivity, porosity, photoelectric, and sonic), structure surfaces using data from 36 wells, thickness maps, well test data, seismic data, and permeability data in PetrelTM.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Dynamic changes in dissolved organic matter composition in a Mountain Lake under ice cover and relationships to changes in nutrient cycling and phytoplankton community composition

We studied Bear Lake, a sub-alpine oligotrophic lake in Rocky Mountain National Park, Colorado U.S.A, during the winter ice cover period of 2018. Our goal was to understand relationships between biogeochemical processes and the chemical quality of the dissolved organic matter, a major pool of organic carbon in all lakes. The lake exhibited a highly stratified environment with limited light availability, a consistent oxycline at 7 meters, and dilute hydrochemistry. Nutrient concentrations were low and depletion of nitrogen, particularly for NH4 to a lesser extent NO3, were related to increasing phytoplankton abundance. The deep chlorophyll maxima that developed above the oxycline was dominated by a potentially mixotrophic dinoflagellate. DOM chemical quality as measured through high-resolution mass spectrometry was related to these shifts in aquatic ecosystem structure. However, CDOM spectroscopy of the whole water was a poor indicator of biogeochemical changes in the DOM pool. The spectrometry data highlighted an evolving and contrasting reservoir of phosphorus, nitrogen, and sulfur-containing organic compounds sensitive to nutrient cycling and redox conditions. We also observed reduced chemodiversity between the surface and bottom water DOM molecular formulas over time. Homogeneity increased in the surface and more unique compounds were produced in the bottom waters, where an overall increase occurred in the favorability of carbon to support microbial respiration. Our results show dynamic chemical changes in the DOM pool reflect dynamic nutrient cycling under ice cover, potentially driven by mixotrophic growth of the dinoflagellate Gymnodinium sp.

Rue, Garrett↗
DOE OSTI2022

Static and dynamic modeling of steam integration for a NuScale small modular reactor and pulp and paper mill coupling for carbon-neutral manufacturing

Small modular reactors (SMRs) are reactor designs producing less than 300 MWe and are generally planned for deployment as multimodule nuclear power plants. The possibility of factory-manufactured, flexibly sized plants expands the opportunities for nuclear power to different communities and industries, including manufacturing plants that currently utilize fossil fuels to produce both steam and electricity. This paper examines the feasibility of coupling a NuScale SMR with a midsize pulp and paper mill in the Southeastern United States. A steady-state mill model was developed in Aspen HYSYS, based on real data from the operation of the mill, and modified it to include the SMR while maintaining steam quality requirements and making as few changes as possible to existing equipment. Dynamic plant models were also developed Dymola to demonstrate possible plant conditions, using three configurations. Preliminary results suggest that, while SMR coupling is physically feasible, its economic feasibility is limited by the differences in steam and electricity demands. Because of limitations in the amount of steam the mill can take from the SMR, sizing the SMR for the plant’s steam demand may result in an electricity deficit, or vice versa. Furthermore, dynamic analyses show that the addition of a thermal storage system could reduce such deficits, but this entails its own challenges. Each plant must determine the best configuration and control scheme for itself, based on its electricity and heat needs, including the peak duration and intensity for both. Ultimately, an implementation of SMRs with manufacturing processes would benefit from partnering with a local utility to purchase excess electricity generated by the SMR. This will help manufacturing facilities meet their environmental and cost-savings goals, in addition to meeting the need for cost-effective baseload power across the United States.

03 NATURAL GAS↗
DOE OSTI2022

Strain dependent electronic and optical responses of penta-BCN monolayer

We report here, structural, dynamic, and mechanical stability in pentagonal boron carbon nitride (p-BCN) monolayer, a new member of direct bandgap two-dimensional (2D) semiconductor. The identified visible range bandgap with excellent mechanical strength allows it to be a promising candidate material in optoelectronics, nanomechanics, and optomechanical sensors. By employing density functional theory (DFT), we reveal a unique geometrical reconstruction with rigidity in B–N and C–N bond lengths with applied strain. These quasi-sp 3 hybridized short and strong covalent bonding and unique geometry support the monolayer to possess extraordinary mechanical response. The desired bandgap is manipulated by loading the biaxial strain. Most importantly, our predictions on p-BCN show excellent optical response such as good static dielectric constant and refractive index, strong optical absorption (up to 1.08 x 10 5 cm -1 in VR and 7.01 x 10 cm -1 in UV) with small energy loss and reflectance both appearing in visible and ultraviolet regions (UV). The desired optical response along with the blue and red shift is demonstrated by tailoring with tensile and compressive strain. The predicted strong optical anisotropy provides it’s application in polarized photodetection.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Permafrost Formation in a Meandering River Floodplain

Abstract Permafrost influences 25% of land in the Northern Hemisphere, where it stabilizes the ground beneath communities and infrastructure and sequesters carbon. However, the coevolution of permafrost, river dynamics, and vegetation in Arctic environments remains poorly understood. As rivers meander, they erode the floodplain at cutbanks and build new land through bar deposition, creating sequences of landforms with distinct formation ages. Here we mapped these sequences along the Koyukuk River floodplain, Alaska, analyzing permafrost occurrence, and landform and vegetation types. We used radiocarbon and optically stimulated luminescence (OSL) dating to develop a floodplain age map. Deposit ages ranged from modern to 10 ka, with more younger deposits near the modern channel. Permafrost rapidly reached 50% areal extent in all deposits older than 200 years then gradually increased up to ∼85% extent for deposits greater than 4 Kyr old. Permafrost extent correlated with increases in black spruce and wetland abundance, as well as increases in permafrost extent within wetland, and shrub and scrub vegetation classes. We developed an inverse model to constrain permafrost formation rate as a function of air temperature. Permafrost extent initially increased by ∼25% per century, in pace with vegetation succession, before decelerating to <10% per millennia as insulating overbank mud and moss slowly accumulated. Modern permafrost extent on the Koyukuk floodplain therefore reflects a dynamic balance between widespread, time‐varying permafrost formation and rapid, localized degradation due to cutbank erosion that might trigger a rapid loss of permafrost with climatic warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Localized electronic and vibrational states in amorphous diamond

Amorphous diamond structures are generated by quenching high-density high-temperature liquid carbon using tight-binding molecular-dynamics simulations. We show that the generated amorphous diamond structures are predominated by strong tetrahedral bonds with the sp 3 bonding fraction as high as 97%, thus exhibit an ultra-high incompressibility and a wide band gap close to those of crystalline diamond. A small amount of sp 2 bonding defects in the amorphous sample contributes to localized electronic states in the band gap while large local strain gives rise to localization of vibrational modes at both high and low frequency regimes.

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

Toward using collective x-ray Thomson scattering to study C–H demixing and hydrogen metallization in warm dense matter conditions

The insulator–metal transition in liquid hydrogen is an important phenomenon to understand the interiors of gas giants, such as Jupiter and Saturn, as well as the physical and chemical behavior of materials at high pressures and temperatures. Here, the path toward an experimental approach is detailed based on spectrally resolved x-ray scattering, tailored to observe and characterize hydrogen metallization in dynamically compressed hydrocarbons in the regime of carbon–hydrogen phase separation. With the help of time-dependent density functional theory calculations and scattering spectra from undriven carbon samples collected at the European x-ray Free-Electron Laser Facility (EuXFEL), we demonstrate sufficient data quality for observing C–H demixing and investigating the presence of liquid metallic hydrogen in future experiments using the reprated drive laser systems at EuXFEL.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Fluid inertia controls mineral precipitation and clogging in pore to network-scale flows

Mineral precipitation caused by fluid mixing presents complex control and predictability challenges in a variety of natural and engineering processes, including carbon mineralization, geothermal energy, and microfluidics. Precipitation dynamics, particularly under the influence of fluid flow, remain poorly understood. Combining microfluidic experiments and three-dimensional reactive transport simulations, we demonstrate that fluid inertia controls mineral precipitation and clogging at flow intersections, even in laminar flows. We observe distinct precipitation regimes as a function of Reynolds number (Re). At low Reynolds numbers (Re < 10), precipitates form a thin, dense layer along the mixing interface, which shuts precipitation off, while at high Reynolds numbers (Re > 50), strong three-dimensional flows significantly enhance precipitation over the entire intersection, resulting in rapid clogging. When injection rates from two inlets are uneven, flow symmetry-breaking leads to unexpected flow bifurcation phenomena, which result in enhanced concurrent precipitation in both downstream channels. Finally, we extend our findings to rough channel networks and demonstrate that the identified inertial effects on precipitation at the intersection scale are also present and even more dramatic at the network scale. This study sheds light on the fundamental mechanisms underlying mixing-induced mineral precipitation and provides a framework for designing and optimizing processes involving mineral precipitation.

Science & Technology - Other Topics↗