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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Utilizing Environmental Tracers to Reduce Groundwater Flow and Transport Model Parameter Uncertainties

Abstract Non‐uniqueness in groundwater model calibration is a primary source of uncertainty in groundwater flow and transport predictions. In this study, we investigate the ability of environmental tracer information to constrain groundwater model parameters. We utilize a pilot point calibration procedure conditioned to subsets of observed data including: liquid pressures, tritium ( 3 H), chlorofluorocarbon‐12 (CFC‐12), and sulfur hexafluoride (SF 6 ) concentrations; and groundwater apparent ages inferred from these environmental tracers, to quantify uncertainties in the heterogeneous permeability fields and infiltration rates of a steady‐state 2‐D synthetic aquifer and a transient 3‐D model of a field site located near Riverton, Wyoming (USA). To identify the relative data worth of each observation data type, the post‐calibration uncertainties of the optimal parameters for a given observation subset are compared to that from the full observation data set. Our results suggest that the calibration‐constrained permeability field uncertainties are largest when liquid pressures are used as the sole calibration data set. We find significant reduction in permeability uncertainty and increased predictive accuracy when the environmental tracer concentrations, rather than apparent groundwater ages, are used as calibration targets in the synthetic model. Calibration of the Riverton field site model using environmental tracer concentrations directly produces infiltration rate estimates with the lowest uncertainties, however; permeability field uncertainties remain similar between the environmental tracer concentration and apparent groundwater age calibration scenarios. This work provides insight on the data worth of environmental tracer information to calibrate groundwater models and highlights potential benefits of directly assimilating environmental tracer concentrations into model parameter estimation procedures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Global metagenomics reveals plastid diversity and unexplored algal lineages

Photosynthetic organelles in eukaryotes originated through primary endosymbiosis with a cyanobacterium, an event that profoundly shaped the evolutionary landscape of the eukaryotic tree of life. Primary plastids in Archaeplastida, especially in cultivable plants and algae, contribute most to known plastid diversity. Secondary and higher-order endosymbiosis, involving eukaryotic hosts and algal endosymbionts, further spread photosynthesis among protists within the CASH lineages (Cryptophyta, Alveolata, Stramenopila, and Haptophyta). Despite various hypotheses explaining secondary plastid evolution and distribution, empirical support remains limited. Here, we employ cultivation-independent global metagenomics to expand plastid diversity and investigate plastid origins. We capture 1,027 plastid sequences, including 300 novel sequences belonging to previously unsequenced plastids and representing yet-to-be described microeukaryotes. This includes a new lineage that offers insights into plastid evolution in haptophytes and cryptophytes. Our results confirm that Archaeplastida plastids originate from an early branching cyanobacterial lineage closely related to Gloeomargaritales and identify the closest extant relative of Paulinella plastids. Additionally, our findings suggest two independent origins of secondary red-algal plastids, contributing to plastid diversity in CASH lineages and challenging the prevailing model of single secondary plastid origin. Our study highlights the importance of metagenomic data in uncovering biological diversity and advancing understanding of plastid relationships across photosynthetic eukaryotes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Using sub-limb observations to measure gravity waves excited by convection

Convective gravity waves are a major driver of atmospheric circulation, including the stratospheric and mesospheric quasi-biennial oscillation (QBO) and the Brewer–Dobson circulation. Previous work shows clear evidence that these waves can be excited by both single convective cells and by mesoscale convective complexes acting as a single unit. However, the partitioning of the generated waves and, crucially for atmospheric model development, the flux of momentum they transport between these two types of excitation process remains highly uncertain due to a fundamental lack of suitable observations at the global scale. Here, we use both theoretical calculations and sampled output from a high-resolution weather model to demonstrate that a satellite instrument using a sub-limb geometry would be well suited to characterising the short-vertical short-horizontal gravity waves these systems produce, and hence to provide the scientific knowledge needed to identify the relative wave-driving contribution of these two types of convective wave excitation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Analysis of the bonding in tetrahedrane and phosphorus-substituted tetrahedranes

The bonding structures of tetrahedrane, phosphatetrahedrane, diphosphatetrahedrane and triphosphatetrahedrane are studied by employing an intrinsic quasi-atomic orbital analysis. Ethane, cyclopropane and tetrahedral P 4 are employed as reference systems. The orbital analysis is paired with the computation of strain energies via isodesmic reactions. The results show that the increase in geometric strain upon transition from ethane to cyclopropane to tetrahedrane weakens the CC bonds, despite leading to shorter C–C interatomic distances. With the increase in strain, the orbitals centered on C and involved in the bonding of the cage structure are observed to have elevated p-character, and the orbital structure of C deviates from sp 3 hybridization. The systematic substitution of CH groups by P atoms in the cage structure of tetrahedrane leads to stronger CC bonds, larger angles in the cage structures of the resulting phosphatetrahedranes, lower p-character in the orbitals involved in the bonding of the cages, and lower strain energies. It is found that P is more amenable to strained molecular arrangements than is C, and that the propensity of a given atom to hybridize s and p functions, or the lack thereof, has implications in the stability of molecules with strained geometries. The combination of the calculations presented here with the existing literature provides insight into the apparent propensity of tetrahedrane and P 4 to ‘break’ their tetrahedral structures. Trends in the bonding interactions, such as bond strengths, s- and p-orbital characters and charge transfer are identified and related to the strain energy observed in each of the analyzed systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Ultrafast photo-induced phonon hardening due to Pauli blocking in MAPbI 3 single-crystal and polycrystalline perovskites

Metal-halide perovskite semiconductors have attracted intense interest over the past decade, particularly for applications in photovoltaics. Low-energy optical phonons combined with significant crystal anharmonicity play an important role in charge-carrier cooling and scattering in these materials, strongly affecting their optoelectronic properties. We have observed optical phonons associated with Pb–I stretching in both MAPbI 3 single crystals and polycrystalline thin films as a function of temperature by measuring their terahertz conductivity spectra with and without photoexcitation. An anomalous bond hardening was observed under above-bandgap illumination for both single-crystal and polycrystalline MAPbI 3 . First-principles calculations reproduced this photo-induced bond hardening and identified a related lattice contraction (photostriction), with the mechanism revealed as Pauli blocking. For single-crystal MAPbI 3 , phonon lifetimes were significantly longer and phonon frequencies shifted less with temperature, compared with polycrystalline MAPbI 3 . We attribute these differences to increased crystalline disorder, associated with grain boundaries and strain in the polycrystalline MAPbI 3 . Thus we provide fundamental insight into the photoexcitation and electron–phonon coupling in MAPbI 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2025

Network analysis of memristive device circuits: dynamics, stability and correlations

Abstract Networks with memristive devices are a potential basis for the next generation of computing devices. They are also an important model system for basic science, from modeling nanoscale conductivity to providing insight into the information-processing of neurons. The resistance in a memristive device depends on the history of the applied bias and thus displays a type of memory. The interplay of this memory with the dynamic properties of the network can give rise to new behavior, offering many fascinating theoretical challenges. But methods to analyze general memristive circuits are not well described in the literature. In this paper we develop a general circuit analysis for networks that combine memristive devices alongside resistors, capacitors and inductors and under various types of control. We derive equations of motion for the memory parameters of these circuits and describe the conditions for which a network should display properties characteristic of a resonator system. For the case of a purely memresistive network, we derive Lyapunov functions, which can be used to study the stability of the network dynamics. Surprisingly, analysis of the Lyapunov functions show that these circuits do not always have a stable equilibrium in the case of nonlinear resistance and window functions. The Lyapunov function allows us to study circuit invariances, wherein different circuits give rise to similar equations of motion, which manifest through a gauge freedom and node permutations. Finally, we identify the relation between the graph Laplacian and the operators governing the dynamics of memristor networks operators, and we use these tools to study the correlations between distant memristive devices through the effective resistance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Active causal learning for decoding chemical complexities with targeted interventions

Abstract Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have become standard for predictions, but they face challenges when applied across different datasets due to reliance on correlations between molecular representation and target properties. These approaches typically depend on large datasets to capture the diversity within the chemical space, facilitating a more accurate approximation, interpolation, or extrapolation of the chemical behavior of molecules. In our research, we introduce an active learning approach that discerns underlying cause-effect relationships through strategic sampling with the use of a graph loss function. This method identifies the smallest subset of the dataset capable of encoding the most information representative of a much larger chemical space. The identified causal relations are then leveraged to conduct systematic interventions, optimizing the design task within a chemical space that the models have not encountered previously. While our implementation focused on the QM9 quantum-chemical dataset for a specific design task—finding molecules with a large dipole moment—our active causal learning approach, driven by intelligent sampling and interventions, holds potential for broader applications in molecular, materials design and discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The convergence of quadrupole rotational invariants from the nuclear shell model

Nuclei exhibit both single-particle and collective degrees of freedom, with the latter often subdivided into vibrational and rotational motions. Experimentally identifying the relative roles of these collective modes is extremely challenging, particularly in the face of possible shape coexistence. Model-independent, invariant quantities describing the deformation of a nucleus in the intrinsic frame have long been known but their determination potentially requires a large quantity of experimental data to achieve convergence. Through comparison with the nuclear shell model, the question of convergence is addressed. Shell-model calculations performed in the sd- and pf-shell model spaces are used to determine electric-quadrupole matrix elements for a multitude of low-lying states using the first 40 states of the relevant spins. Relative contributions to the rotationally invariant quantities from multiple states can therefore be determined. It is found that, on average, the inclusion of four intermediate states results in the leading-order invariant, $\langle\hat{Q^2}\rangle$, converging to within 10% of its true value and the triaxiality term, cos (3δ), converging to its true value, though some variance remains. Higher-order quantities relating to the softness of the nuclear shape are found to converge more slowly. The convergence of quadrupole rotationally invariant sum rules was quantified in the sd- and pf-shell model spaces and indicates the challenge inherent in a full determination of nuclear shape. The present study is limited to relatively small valence spaces. Finally, larger spaces, such as the rare-earth region, potentially offer faster convergence.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Particle production by a relativistic semitransparent mirror in (1+3)D Minkowski spacetime

Production of massless, scalar particles by a relativistic, semitransparent, plane mirror in (1+3)D Minkowski spacetime based on the Barton-Calogeracos (BC) action is investigated. The corresponding Bogoliubov coefficients are derived for a mirror with arbitrary, relativistic trajectories. We apply our derived formula to two specific trajectories. One is commonly used in the (1+1)D literature to mimic gravitational collapse theoretically, and the other is proposed to be realizable experimentally. In addition, we identify the relation between the particle spectrum and the particle production probability, and we demonstrate the equivalence between our approach and the existing approach in the literature, which is restricted to (1+1)D. In short, our treatment extends the study to (1+3)D spacetime for a relativistic, plane mirror. Finally, we offer a third approach for finding the particle spectrum using the S-matrix formalism.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Nematoelasticity of hybrid molecular-colloidal liquid crystals

Colloidal rods immersed in a thermotropic liquid-crystalline solvent are at the basis of so-called hybrid liquid crystals, which are characterized by tunable nematic fluidity with symmetries ranging from conventional uniaxial nematic or antinematic to orthorhombic. Here, we provide a theoretical analysis of the elastic moduli of such systems by considering interactions between the individual rods with the embedding solvent through surface-anchoring forces, as well as steric and electrostatic interactions between the rods themselves. For uniaxial systems, the presence of colloidal rods generates a marked increase of the splay elasticity, which we found to be in quantitative agreement with experimental measurements. For orthorhombic hybrid liquid crystals, we provide estimates of all 12 elastic moduli and show that only a small subset of those elastic constants play a relevant role in describing the nematoelastic properties. The complexity and possibilities related to identifying the elastic moduli in experiments are briefly discussed.

42 ENGINEERING↗
DOE OSTI2024

Bendability parameter for twisted ribbons to describe longitudinal wrinkling and delineate the near-threshold regime

We propose a dimensionless bendability parameter, ε -1 =[(h/W) 2 ⁢T -1 ] -1 , for wrinkling of thin, twisted ribbons with thickness h, width W, and tensional strain T. Bendability permits efficient collapse of data for wrinkle onset, wavelength, critical stress, and residual stress, demonstrating longitudinal wrinkling's primary dependence on this parameter. This parameter also allows us to distinguish the highly bendable range (ε -1 >20) from moderately bendable samples (ε -1 ϵ(0,20]). We identify scaling relations to describe longitudinal wrinkles that are valid across our entire set of simulated ribbons. When restricted to the highly bendable regime, simulations confirm theoretical near-threshold (NT) predictions for wrinkle onset and wavelength.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

A Knowledge Network-Based Approach to Facilitate Annotation of Clinical Pathway Component Clusters

Mining electronic health records (EHRs) to identify contextually related clinical concept clusters that tend to co-occur temporarily and consistently could improve data-driven clinical pathway (CP) construction. However, the automatic extraction of contextually related clinical concept clusters contains a vast amount of irrelevant information. Hence, this paper proposes a knowledge network-enabled literature-based discovery (LBD) approach to remove noise from clusters. The authors used published literature to filter spurious concepts from the clusters and used data from the US Department of Veterans Affairs’s major depressive disorder (MDD) cohort of Operation Enduring Freedom/Operation Iraqi Freedom (OEF/OIF) for their experimentation. The approach was applied to 2,967 clusters extracted from the MDD OEF/OIF database. The experimental results demonstrate that the proposed approach can filter 94% of the irrelevant information. Moreover, the authors applied various network mining algorithms to analyze the clusters and demonstrated that LBD, along with network mining techniques, is a useful method for finding accurate contextually related clinical concept clusters. This could help domain researchers perform advanced analytics in CPs.

Hasan, S M Shamimul↗
DOE OSTI2022

Comparative genomics reveals electron transfer and syntrophic mechanisms differentiating methanotrophic and methanogenic archaea

The anaerobic oxidation of methane coupled to sulfate reduction is a microbially mediated process requiring a syntrophic partnership between anaerobic methanotrophic (ANME) archaea and sulfate-reducing bacteria (SRB). Based on genome taxonomy, ANME lineages are polyphyletic within the phylum Halobacterota , none of which have been isolated in pure culture. Here, we reconstruct 28 ANME genomes from environmental metagenomes and flow sorted syntrophic consortia. Together with a reanalysis of previously published datasets, these genomes enable a comparative analysis of all marine ANME clades. We review the genomic features that separate ANME from their methanogenic relatives and identify what differentiates ANME clades. Large multiheme cytochromes and bioenergetic complexes predicted to be involved in novel electron bifurcation reactions are well distributed and conserved in the ANME archaea, while significant variations in the anabolic C1 pathways exists between clades. Our analysis raises the possibility that methylotrophic methanogenesis may have evolved from a methanotrophic ancestor.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

WHONDRS Summer 2019 Sampling Campaign: Global River Corridor Surface Water FTICR-MS, NPOC, TN, Anions, Stable Isotopes, Bacterial Abundance, and Dissolved Inorganic Carbon (v8)

The WHONDRS Summer 2019 Sampling (S19S) Campaign collected samples in 97 globally distributed river corridor systems between July and September 2019. Surficial streambed sediments were collected at three locations within each site (upstream, midstream, and downstream). Surface water was collected at the downstream site. This dataset includes a portion of the data types produced from the surface water samples and does not include any results from the sediment. Sediment data can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1729719. The S19S campaign was designed with the science community to ask questions associated with links among core/transient metabolomes, microbial metabolism, biogeochemical function, and physical properties of watershed and river corridor systems. This data package was originally published in March 2020. It was updated in October 2020 (v2, new and modified files), July 2021 (v3, new and modified files), January 2023 (v4, new and modified files), February 2023 (v5, new and modified files), August 2023 (v6, new and modified files), July 2025 (v7,new and modified files), and August 2026 (v8, new and modified files). Version 8 includes major restructuring of the files and their formats. See the change history section in readme for more details. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset contains (1) readme, (2) data dictionary, (3) file level metadata, (4) sampling protocol, (5) a data checks report, (6) field metadata, (7) international generic sample number (IGSN) mapping file, (8) joint genome institute (JGI) mapping file, and (9) a folder of sample data. The sample data folder contains (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) and FTICR methods, (2) dissolved inorganic carbon (DIC), (3) stable water isotopes (O and H), (4) specific conductivity, (5) total dissolved nitrogen (TN), (6) anions, (7) flow cytometry bacterial abundance data, (8) laboratory methods, and (9) a folder containing unaligned, peak-picked high resolution characterization of dissolved organic matter from sediment via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL, https://www.pnnl.gov/environmental-molecular-sciences-laboratory), and (12) a folder containing processed FTICR-MS data. All files are .msa, .txt, .spx, .xml, .csv, .pdf, .txt, .html, .jpg, or .jpeg.

18-O↗
DOE OSTI2020

Dual-domain column experiment data for aquifer sediments from Riverton, WY, 2018, examining groundwater mobility and speciation of arsenic

This dataset is a compilation of the data that supported the publication of Kumar et al. (2020) in ES&T, http://dx.doi.org/10.1021/acs.est.9b06502. The data is from a dual domain column experiment examining the impact of redox interfaces on arsenic speciation and mobility in natural groundwater sediments that were collected at the Riverton, WY, US Department of Energy Office of Legacy Management field site. The abstract for the associated publication reads:Groundwater contamination by As from natural and anthropogenic sources is a world-wide concern. Redox heterogeneities over space and time are common and can influence the molecular-level speciation of As, and thus As release/retention, but are largely unexplored. Here we present results from a dual-domain column experiment, with natural organic-rich, fine-grained, and sulfidic sediments embedded as lenses (referred to as ‘reducing lenses’) within natural aquifer sand. We show that redox interfaces in sulfur-rich, alkaline aquifers may release concerning levels of As, even when sediment As concentration is low (<2 mg/kg), due to the formation of mobile thioarsenates at aqueous sulfide:Fe molar ratios <1. In our experiments, this behavior occurred in the aquifer sand between reducing lenses and was attributed to the spreading of sulfidic conditions and subsequent Fe reductive dissolution. In contrast, inside reducing lenses (and some locations in the aquifer) the aqueous sulfide:Fe molar ratios exceeded 1 and aqueous sulfide:As molar ratios exceeded 100, which partitioned As(III)-S to the solid phase (associated with organics or as realgar (As4S4)). These results highlight the importance of thioarsenates in natural sediments and indicate that redox interfaces and sediment heterogeneities could locally degrade groundwater quality, even in aquifers with unconcerning solid phase As concentrations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Custom NEON AOP reflectance mosaics and maps of shade masks, canopy water content

This mosaic of visible to shortwave infrared (VSWIR) data was derived from the assignable asset NEON AOP radiance data that was collected by LBNL’s Watershed Function SFA during the summer of 2018 (DOI: 10.15485/1617204). This atmospheric correction was completed to take into account site-specific terrain variability in the 334 km2 survey area centered around Crested Butte, CO. The atmospheric correction was completed using ACORN atmospheric correction software executed on 200 x 200 pixel kernels rather than line by line in order to capture local flight altitude conditions. Manual cloud delineation removed any small shaded areas that occurred within the data collection areas. Mosaics were developed based on preference for days that were in close timing proximity to the coincident ground campaign and with mosaicing criteria that minimized the angle between the sun and the sensor to retrieve the most consistent reflectance (min_phase_refl_tiled). Finally, we generated shade masks based on the geometry between the sun angle at time of flight, the ground surface, and the sensor. Here we provide the orthomosaiced estimated reflectance data (min_phase_refl_tiled.tif), canopy water content (wtrl), estimated atmospheric water vapor (wtrv), the observational data (obs) for this particular mosaic, the estimated visibility (vis), shade masks derived from the digital surface elevation model (shade) and the digital terrain model (shade_tch) added to the canopy height model (DOI: 10.15485/1617203), and a wavelength metadata file. Each image file is provided as a GeoTiff with internal tiling and LZW compression. These data can also be found on Google Earth Engine for extraction, download, and analysis of smaller extents (Google Earth Engine data is linked in external link table).

2018 NEON and 2025 CHESS Campaigns↗
DOE OSTI2020

Depth-resolved soil data from DOE-LM Riverton Wyoming site, April-September 2017

Averaged (from 3 to 5 replicates) and QA/QC:d data for soil cores taken roughly every month in the period April 5 to September 13 in 2017 at a location close to DOE Legacy Management well 855 at the Riverton, Wyoming floodplain site. The groundwater at this site exhibits persistent U, Mo, and sulfate plumes and is one of the field sites in focus for the SLAC Groundwater Quality SFA program. Cores were separated into 5-20 cm segments based on soil horizonation and each segment was subsampled for microbial analyses (data available at the NCBI Single Read Archive (SRA) Database, https://www.ncbi.nlm.nih.gov/sra/, BioProject ID# PRJNA626616) in addition to the soil analyses included in this dataset. The soil analyses dataset includes aerobic and anaerobic respiration rate estimates (MicroResp method), water content estimates (on collected samples, not in situ), total C, N, S, Ca, K, Mg, Na, Fe, As, Mo, U, and organic-C concentrations, water extractable concentrations of the same elements, and HCl-extractable Fe(II) concentrations.There are four files included in this data package: metadataFile.csv, avgDataFile.csv, methodFile.csv, and RVT2017soilData.xlsx. The excel file contains the same information as the individual csv-files (in separate tabs).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

WHONDRS Summer 2019 Sampling Campaign: Global River Corridor Sediment FTICR-MS, Dissolved Organic Carbon, Aerobic Respiration, Elemental Composition, Grain Size, Total Nitrogen and Organic Carbon Content, Bacterial Abundance, and Stable Isotopes (v10)

The WHONDRS Summer 2019 Sampling (S19S) Campaign collected samples in 97 globally distributed river corridor systems between July and September 2019. Surficial streambed sediments were collected at three locations within each site (upstream, midstream, and downstream). Surface water was collected at the downstream site. This dataset includes a portion of the data types produced from the sediment samples and does not include any results from the surface water. Surface water data can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1603775. The S19S campaign was designed with the science community to ask questions associated with links among core/transient metabolomes, microbial metabolism, biogeochemical function, and physical properties of watershed and river corridor systems. This data package was originally published in December 2020. It was updated in April 2021 (v2; modified files), May 2022 (v3; new and modified files), November 2022 (v4; new and modified files), January 2023 (v5 and v6; new and modified files), February 2023 (v7; new and modified files), August 2023 (v8; new and modified files), July 2025 (v9; new and modified files), and June 2026 (v10; new and modified files). Version 10 includes major restructuring of the files and their formats. See the change history in the readme for details. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset contains (1) readme, (2) data dictionary, (3) file level metadata, (4) sampling protocol, (5) a data checks report, (6) field metadata, (7) international generic sample number (IGSN) mapping file, (8) joint genome institute (JGI) mapping file, (9) a folder of site photos, and (10) a folder of sample data. The sample data folder contains (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) and FTICR methods; (2) respiration rates and normalized respiration rates calculated from laboratory sediment incubations, (3) X-ray fluorescence (XRF) elemental composition, (4) grain size distribution from the < 2 millimeter fraction of sediment, (5) total organic carbon and total nitrogen content, (6) bacterial abundance flow cytometry data, (7) sediment stable isotopes (C and N), (8) laboratory methods, (9) water and sediment mass and volume used in incubations, (10) a folder with code, inputs, and plots for the respiration rates, (11) a folder containing XRF data, (12) a folder containing unaligned, peak-picked high resolution characterization of dissolved organic matter from sediment via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory), (12) and a folder containing processed FTICR-MS data. All files are .msa, .txt, .spx, .xml, .csv, .pdf, .txt, .jpg, or .jpeg.

13C↗