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DOE OSTI2023

Search for new phenomena in multi-body invariant masses in events with at least one isolated lepton and two jets using $\sqrt{s}$ = 13 TeV proton–proton collision data collected by the ATLAS detector

A search for resonances in events with at least one isolated lepton (e or μ ) and two jets is performed using 139 fb -1 of $\sqrt{s}$ = 13 TeV proton–proton collision data recorded by the ATLAS detector at the LHC. Deviations from a smoothly falling background hypothesis are tested in three- and four-body invariant mass distributions constructed from leptons and jets, including jets identified as originating from bottom quarks. Model-independent limits on generic resonances characterised by cascade decays of particles leading to multiple jets and leptons in the final state are presented. The limits are calculated using Gaussian shapes with different widths for the invariant masses. The multi-body invariant masses are also used to set 95% confidence level upper limits on the cross-section times branching ratios for the production and subsequent decay of resonances predicted by several new physics scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Combination of searches for heavy vector boson resonances in proton-proton collisions at $\sqrt{s}=13$ TeV

A combined statistical analysis of searches for heavy vector boson resonances decaying into pairs of W, Z, or Higgs bosons, as well as into quark pairs $\left(\mathrm{q}\overline{\mathrm{q}},\mathrm{b}\overline{\mathrm{b}},\mathrm{t}\overline{\mathrm{t}},\mathrm{t}\overline{\mathrm{b}}\right)$ or lepton pairs ℓ + ℓ – , ℓ$\bar{v}$, with ℓ = e, μ, τ, is presented. The results are based on proton-proton collision data at a center-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 138 fb −1 , collected by the CMS experiment from 2016 to 2018. No significant deviation from the expectations of the standard model is observed. The results are interpreted in the simplified heavy vector triplet (HVT) framework, setting 95% confidence level upper limits on the production cross sections and on the coupling strengths of the HVT bosons to standard model particles. The results exclude HVT resonances with masses below 5.5 TeV in a weakly coupled scenario, below 4.8 TeV in a strongly coupled scenario, and up to 2.0 TeV in the case of production via vector boson fusion. The combination provides the most stringent constraints to date on new phenomena predicted by the HVT model.

beyond Standard Model↗

DOE OSTI2025

Search for lepton-flavor-violating ${\tau }^{-}\to {{\ell}}^{-}{K}_{s}^{0}$ decays at Belle and Belle II

We present the results of a search for charged-lepton-flavor violating decays ${\tau }^{-}\to {{\ell}}^{-}{K}_{s}^{0}$, where ℓ − is either an electron or a muon. We combine e + e − data samples recorded by the Belle II experiment at the SuperKEKB collider (428 fb −1 ) with samples recorded by the Belle experiment at the KEKB collider (980 fb −1 ) to obtain a sample of 1.3 billion e + e − → τ + τ − events. We observe 0 and 1 events and set 90% confidence level upper limits of 0.8 × 10 −8 and 1.2 × 10 −8 on the branching fractions of the decay modes ${\tau }^{-}\to {e}^{-}{K}_{S}^{0}$ and ${\tau }^{-}\to {\mu }^{-}{K}_{S}^{0}$, respectively. These are the most stringent upper limits to date.

beyond Standard Model↗

DOE OSTI2026

Search for a Higgs boson produced in association with a charm quark and decaying to a W boson pair in proton-proton collisions at $ \sqrt{s}=13 $ TeV

This paper presents a search for a Higgs boson produced in association with a charm quark (cH) which allows to probe the Higgs-charm Yukawa coupling strength modifier κ$_{c}$. Higgs boson decays to a pair of W bosons are considered, where one W boson decays to an electron and a neutrino, and the other W boson decays to a muon and a neutrino. The data, corresponding to an integrated luminosity of 138 fb$^{−1}$, were collected between 2016 and 2018 with the CMS detector at the LHC at a center-of-mass energy of $ \sqrt{s}=13 $ TeV. Upper limits at the 95% confidence level (CL) are set on the ratio of the measured yield to the standard model expectation for cH production. The observed (expected) upper limit is 1065 (506), corresponding to an observed (expected) constraint of |κ$_{c}$| < 211 (95). When combined with the previous search for cH in the diphoton decay channel of the Higgs boson, the limits are interpreted as observed (expected) constraints at 95% CL on the value of κ$_{c}$, |κ$_{c}$| < 47 (51).[graphic not available: see fulltext]

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗

DOE OSTI2021

OCHRE: The Object-oriented, Controllable, High-resolution Residential Energy Model for Dynamic Integration Studies

Electrification and the growth of distributed energy resources (DERs), including flexible loads, are changing the energy landscape of electric distribution systems and creating new challenges and opportunities for electric utilities. Changes in demand profiles require improvements in distribution system load models, which have not historically accounted for device controllability or impacts on customer comfort. Although building modeling research has focused on these features, there is a need to incorporate them into distribution load models that include DERs and can be used to study grid-interactive buildings. In this paper, we present the Object-oriented, Controllable, High-resolution Residential Energy (OCHRE) model. OCHRE is a controllable thermal-electric residential energy model that captures building thermal dynamics, integrates grid-dependent electrical behavior, contains models for common DERs and end-use loads, and simulates at a time resolution down to 1 minute. It includes models for space heaters, air conditioners, water heaters, electric vehicles, photovoltaics, and batteries that are externally controllable and integrated in a co-simulation framework. Using a proposed zero energy ready community in Colorado, we co-simulate a distribution grid and 498 all-electric homes with a diverse set of efficiency levels and equipment properties. We show that controllable devices can reduce peak demand within a neighborhood by up to 73% during a critical peak period without sacrificing occupant comfort. We also demonstrate the importance of modeling load diversity at a high time resolution when quantifying power and voltage fluctuations across a distribution system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Cascading economic losses from port disruptions under capacity constrained multimodal freight networks

This study quantifies how throughput disruptions at major seaports cascade through capacity-constrained multimodal freight networks and interregional production systems. We couple an agent-based model (ABM) multimodal freight simulation that resolves rerouting, terminal queueing, and inventory drawdown under binding modal and facility capacities with a multiregional output loss input-output (MRIIM) model that propagates realized delivery shortfalls across regions and sectors. The framework is demonstrated for the Port of Los Angeles using Freight Analysis Framework flows and Bureau of Economic Analysis input-output accounts and is evaluated over a 52-week horizon under deterministic sector targeted shocks and stochastic disruption realizations with uncertain severity and duration. Results indicate nonlinear amplification: realized national losses concentrate in manufacturing and transportation/warehousing even when exogenous port shocks are dispersed, suggesting that congestion spillback and limited short-run substitution can dominate the initial shock allocation. We further evaluate a tabular reinforcement-learning (Q-learning) intervention layer that selects among a small set of implementable system level levers (truck-to-rail and truck-to-barge shift settings) without overriding shipper routing, finding that such interventions reduce total losses for moderate disruptions but yield diminishing returns once substitute modes approach capacity. By linking operational freight behavior to system wide impacts under uncertainty, the proposed ABM-MRIIM pipeline provides a reusable workflow for port disruption stress testing, identification of structurally critical sectors/corridors, and evaluation of resilience interventions under realistic capacity limits.

42 ENGINEERING↗

DOE OSTI2025

The classical equations of motion of quantized gauge theories, Part 2: Electromagnetism

In this and companion papers, we show that quantum field theories with gauge symmetries permit a broader class of classical dynamics than typically assumed. In this article, we show that the quantization of electromagnetism permits the existence of classical electric field states that do not obey Gauss’s law. These states are gauge invariant and their time evolution can be consistently described using the Schrödinger equation. The time evolution of these states is such that at the classical level, the full set of Maxwell’s equations would appear to hold, with the physical effects of these states being attributable to an auxiliary, static “shadow” charge density with no internal degrees of freedom. This density could affect the dynamics of charged particles in our universe and it may thus be of observational interest.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Efficient Modeling of Structural, Electronic, and Optical Properties of Silver and Gold Metal Nanoclusters and Alloys Using Optimized SCC-DFTB Parameters

Computation of optical properties using conventional time-dependent density functional theory (TD-DFT) is time-consuming and memory-intensive. In this study, we investigate the accuracy and efficiency of the density functional tight binding (DFTB) framework with newly optimized Slater–Koster (SK) parameters for modeling the structural, electronic properties, and absorption spectra of silver and gold nanoclusters and their alloys. Our investigation of the ground state (GS) properties demonstrates that the newly developed GS-SK parameters enable DFTB to closely approximate DFT-calculated bond lengths for octahedron, tetrahedron, icosahedra, and truncated octahedron with sizes Ag n /Au n (n = 19, 20, 38, 55), nanoclusters and Ag 20 /Au 20 nanoalloys, with a maximum deviation of approximately 0.15 Å. Formation energy results indicate that the GS-SK parameters can closely estimate changes in formation energies with alloy composition, and the comparison of electronic structures for Ag 20 , Au 20 , and AgAu alloy nanoclusters using the DFTB approximation reveals good agreement in the projected density of states (DOS) profiles and energy levels. A second set of SK parameters, ES-SK, has been developed to describe excited state (ES) properties, including the absorption spectra of silver octahedron Ag 19 , tetrahedral Ag n (n = 20, 56, 84), truncated octahedron Ag 38 , and icosahedra Ag 55 closed-shell clusters and their gold and alloy counterparts over a broad range of alloy compositions. This parametrization uses TD-DFTB calculations and fine-tunes the d and p eigenvalues by comparing them to reference absorption spectra from first-principles TD-DFT. This enables the generation of absorption spectra that closely match the reference spectra when plasmon excitation is dominant, as demonstrated by studying the plasmonic properties of icosahedral Ag n and Au n (n = 309 and 561) nanoparticles. This includes the rapid loss in plasmon quality when Au partially replaces Ag in alloy clusters. Furthermore, these results provide a foundation for addressing computational bottlenecks in plasmonics and with new prospects for applications in the quantum plasmonics for bimetallic alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Improving Signal to Noise Ratios in Ion Mobility Spectrometry and Structures for Lossless Ion Manipulations (SLIM) using a High Dynamic Range Analog-to-Digital Converter

Signal digitization is a commonly overlooked part of ion mobility-mass spectrometry (IMS-MS) workflows, yet it is a significant contributor for determining signal-to-noise ratios and MS resolution. Here we report on the integration of a 2 GS/s, 14-bit ADC with a structures for lossless ion manipulations (SLIM)-IMS-MS and compare the performance to a commonly used 8-bit ADC. The 14-bit ADC provided an effective reduction in digitized noise by factor of ~6, owing largely to the use of smaller bit sizes. The low baseline allowed the threshold voltage levels to be set very close to the MCP baseline voltage, allowing for as much signal to be acquired as possible without causing overloading or excessive digitization of MCP baseline noise. Analyses of Agilent tuning mixture ions and a complex mixture of heavy labeled phosphopeptides showed that the 14-bit ADC (compared to the 8-bit ADC) provided a modest signal-to-noise increase (~1.5 to 2-fold) for high intensity ions, such as the Agilent tuning mixture ions and the 2+ and 3+ charge states of many phosphopeptide constituents. However, signal enhancements were as much as 10-fold for low intensity ions, and the 14-bit ADC enabled discernable signal intensities otherwise lost using an 8-bit digitizer. Additionally, the 14-bit ADC required ~14-fold fewer mass spectra to be averaged to produce a mass spectrum with similar S/N as the 8-bit ADC under identical conditions, potentially providing an order of magnitude higher measurement throughput. The high resolution, low baseline, and fast speed of the new 14-bit ADC enables high performance digitization of MS, IMS-MS, and SLIM-IMS-MS spectra, and allows a much fuller picture of analyte profiles in complex mixtures to be acquired.

data acquisition, digitization, ion mobility spect↗

DOE OSTI2020

Automatic microseismic event picking via unsupervised machine learning

SUMMARY Effective and efficient arrival picking plays an important role in microseismic and earthquake data processing and imaging. Widely used short-term-average long-term-average ratio (STA/LTA) based arrival picking algorithms suffer from the sensitivity to moderate-to-strong random ambient noise. To make the state-of-the-art arrival picking approaches effective, microseismic data need to be first pre-processed, for example, removing sufficient amount of noise, and second analysed by arrival pickers. To conquer the noise issue in arrival picking for weak microseismic or earthquake event, I leverage the machine learning techniques to help recognizing seismic waveforms in microseismic or earthquake data. Because of the dependency of supervised machine learning algorithm on large volume of well-designed training data, I utilize an unsupervised machine learning algorithm to help cluster the time samples into two groups, that is, waveform points and non-waveform points. The fuzzy clustering algorithm has been demonstrated to be effective for such purpose. A group of synthetic, real microseismic and earthquake data sets with different levels of complexity show that the proposed method is much more robust than the state-of-the-art STA/LTA method in picking microseismic events, even in the case of moderately strong background noise.

Chen, Yangkang↗

DOE OSTI2025

Measurement of the 𝐷 0 →𝐾 − ⁢𝜋 + ⁢𝑒 + ⁢𝑒 − branching fraction and search for 𝐷 0 → 𝜋 + ⁢𝜋 − ⁢𝑒 + ⁢𝑒 − and 𝐷 0 →𝐾 + ⁢𝐾 − ⁢𝑒 + ⁢𝑒 − decays at Belle

We present a study of the rare charm meson decays 𝐷 0 →𝐾 + ⁢𝐾 − ⁢𝑒 + ⁢𝑒 − , 𝜋 + ⁢𝜋 − ⁢𝑒 + ⁢𝑒 − , and 𝐾 − ⁢𝜋 + ⁢𝑒 + ⁢𝑒 − using a 942 fb −1 dataset collected by the Belle detector at the KEKB asymmetric-energy 𝑒 + ⁢𝑒 − collider. We identify 𝐷 0 candidates via the charge of the pion from 𝐷* + →𝐷 0 ⁢𝜋 + decays and normalize the branching fractions to 𝐷 0 → 𝐾 − ⁢𝜋 + ⁢𝜋 − ⁢𝜋 + decays. The branching fraction for decay 𝐷 0 → 𝐾 − ⁢𝜋 + ⁢𝑒 + ⁢𝑒 − is measured to be (39.6 ± 4.5 (stat) ± 2.9 (syst)) × 10 −7 , with the dielectron mass in the 𝜌/𝜔 mass region 675 < 𝑚 𝑒⁢𝑒 < 875 MeV/⁢𝑐 2 . We also search for 𝐷 0 → ℎ − ⁡ℎ (′)+ ⁡𝑒 + ⁢𝑒 − (ℎ (′) = 𝐾, 𝜋) decays with the dielectron mass near the 𝜂 and 𝜙 resonances, and away from these resonances for the 𝐾 + ⁢𝐾 − ⁢𝑒 + ⁢𝑒 − and 𝜋 + ⁢𝜋 − ⁢𝑒 + ⁢𝑒 − modes. For these modes, we find no significant signals and set 90% confidence level upper limits on their branching fractions at the 𝒪⁡(10 −7 ) level.

branching fraction↗

DOE OSTI2024

Search for Rare Decays of D s + to Final States π + e + e − , ρ + e + e − , π + π 0 e + e − , K + π 0 e + e − , and K S 0 π + e + e −

Using 7.33 fb − 1 of e + e − collision data collected by the BESIII detector at center-of-mass energies in the range of s = 4.128 – 4.226 GeV , we search for the rare decays D s + → h + ( h 0 ) e + e − , where h represents a kaon or pion. By requiring the e + e − invariant mass to be consistent with a ϕ ( 1020 ) , 0.98 < M ( e + e − ) < 1.04 GeV / c 2 , the decay D s + → π + ϕ , ϕ → e + e − is observed with a statistical significance of 7.8 σ , and evidence for the decay D s + → ρ + ϕ , ϕ → e + e − is found for the first time with a statistical significance of 4.4 σ . The decay branching fractions are measured to be B ( D s + → π + ϕ , ϕ → e + e − ) = ( 1.1 7 − 0.21 + 0.23 ± 0.03 ) × 10 − 5 , and B ( D s + → ρ + ϕ , ϕ → e + e − ) = ( 2.4 4 − 0.62 + 0.67 ± 0.16 ) × 10 − 5 , where the first uncertainties are statistical and the second systematic. No significant signals for the three four-body decays of D s + → π + π 0 e + e − , D s + → K + π 0 e + e − , and D s + → K S 0 π + e + e − are observed. For D s + → π + π 0 e + e − , the ϕ mass region is vetoed to minimize the long-distance effects. The 90% confidence level upper limits set on the branching fractions of these decays are in the range of ( 7.0 – 8.1 ) × 10 − 5 . Published by the American Physical Society 2024

Physics↗

DOE OSTI2025

Dual-Baseline Search for Active-to-Sterile Neutrino Oscillations in NOvA

We report a search for neutrino oscillations to sterile neutrinos under a model with three active and one sterile neutrinos (3+1 model). This analysis uses the NOvA detectors exposed to the NuMI beam, running in neutrino mode. The data exposure, 13.6 × 10 20 protons on target, doubles that previously analyzed by NOvA, and the analysis is the first to use 𝜈 𝜇 charged-current interactions in conjunction with neutral-current interactions. Neutrino samples in the near and far detectors are fitted simultaneously, enabling the search to be carried out over a Δ⁢𝑚$^{2}_{41}$ range extending 2 (3) orders of magnitude above (below) 1 eV 2 . NOvA finds no evidence for active-to-sterile neutrino oscillations under the 3+1 model at 90% confidence level. New limits are reported in multiple regions of parameter space, excluding some regions currently allowed by IceCube at 90% confidence level. We additionally set the most stringent limits for anomalous 𝜈 𝜏 appearance for Δ⁢𝑚$^{2}_{41}$ ≤ 3 eV 2 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Search for Lepton-Flavor-Violating Decay Modes 𝐵 0 →𝐾$^0_𝑆$⁢𝜏 ± ⁢ℓ ∓ with Hadronic 𝐵 Tagging at Belle and Belle II

We present the first search for the lepton-flavor-violating decay modes 𝐵 0 →𝐾$^0_𝑆$⁢𝜏 ± ⁢ℓ ∓ (ℓ=𝜇,𝑒) using the 711 and 365 fb −1 data samples recorded by the Belle and Belle II detectors, respectively. We use a hadronic 𝐵-tagging technique to fully reconstruct a 𝐵 meson and search for signal decays in the system recoiling against the tagged meson, considering 𝜏 decays to either light leptons, one charged hadron, or one charged hadron and a neutral pion. We find no evidence for 𝐵 0 →𝐾$^0_𝑆$⁢𝜏 ± ⁢ℓ ∓ decays and set 90% confidence level upper limits on the branching fractions in the range of [0.8,3.6] ×10 −5 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Genetic and biochemical characterization of a radical SAM enzyme required for post-translational glutamine methylation of methyl-coenzyme M reductase

ABSTRACT Methyl-coenzyme M reductase (MCR), the key catalyst in the anoxic production and consumption of methane, contains an unusual 2-methylglutamine residue within its active site. In vitro data show that a B12-dependent radical SAM (rSAM) enzyme, designated MgmA, is responsible for this post-translational modification (PTM). Here, we show that two different MgmA homologs are able to methylate MCR in vivo when expressed in Methanosarcina acetivorans , an organism that does not normally possess this PTM. M. acetivorans strains expressing MgmA showed small, but significant, reductions in growth rates and yields on methylotrophic substrates. Structural characterization of the Ni(II) form of Gln-methylated M. acetivorans MCR revealed no significant differences in the protein fold between the modified and unmodified enzyme; however, the purified enzyme contained the heterodisulfide reaction product, as opposed to the free cofactors found in eight prior M. acetivorans MCR structures, suggesting that substrate/product binding is altered in the modified enzyme. Structural characterization of MgmA revealed a fold similar to other B12-dependent rSAMs, with a wide active site cleft capable of binding an McrA peptide in an extended, linear conformation. IMPORTANCE Methane plays a key role in the global carbon cycle and is an important driver of climate change. Because MCR is responsible for nearly all biological methane production and most anoxic methane consumption, it plays a major role in setting the atmospheric levels of this important greenhouse gas. Thus, a detailed understanding of this enzyme is critical for the development of methane mitigation strategies.

Rodriguez Carrero, Roy J. (ORCID:0000000184475641)↗

DOE OSTI2020

Search for direct pair production of supersymmetric partners to the $\tau$ lepton in proton–proton collisions at $\sqrt{s}=13\,\text {TeV} $

A search is presented for $\tau$ slepton pairs produced in proton-proton collisions at a center-of-mass energy of 13 TeV. The search is carried out in events containing two $\tau$ leptons in the final state, on the assumption that each $\tau$ slepton decays primarily to a $\tau$ lepton and a neutralino. Events are considered in which each $\tau$ lepton decays to one or more hadrons and a neutrino, or in which one of the $\tau$ leptons decays instead to an electron or a muon and two neutrinos. The data, collected with the CMS detector in 2016 and 2017, correspond to an integrated luminosity of 77.2 fb$^{-1}$. The observed data are consistent with the standard model background expectation. The results are used to set 95% confidence level upper limits on the cross section for $\tau$ slepton pair production in various models for $\tau$ slepton masses between 90 and 200 GeV and neutralino masses of 1, 10, and 20 GeV. In the case of purely left-handed $\tau$ slepton production and decay to a $\tau$ lepton and a neutralino with a mass of 1 GeV, the strongest limit is obtained for a $\tau$ slepton mass of 125 GeV at a factor of 1.14 larger than the theoretical cross section.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

The Role of Subcloud Mesoscale Convergence in Sculpting Convective Updraft Width and Depth

The initiation of deep moist convection is governed in part by the horizontal width of updrafts near cloud base, which limits the deleterious effects of entrainment-driven dilution on buoyant thermals ascending through the free troposphere. However, the factors controlling cloud-base updraft width, which in turn dictates cloud depth, are not well understood. We track the evolving three-dimensional structure of the mesoscale subcloud forcing for vertical motion and near-cloud thermodynamic ingredients within a high-resolution ensemble of simulations of seven realistic daytime orographic convection initiation events to determine their relative roles in controlling cloud width and depth. Statistical analysis of approximately 5000 cloudy updraft samples indicates that the most important contributors to the width of cloudy updrafts across the ensemble are the depth and magnitude of the subcloud mesoscale ascent. However, the depth achieved by clouds is more consistently predicted by the near-cloud ambient relative humidity within the lower to middle free troposphere and convective available potential energy. Therefore, although the width of cloudy updrafts may be partly set at low levels by the mesoscale vertical mass and moisture flux, the likelihood of deep moist convection is governed by the generation of positive buoyancy within cumulus thermals and entrainment-driven dilution that reduces it. The persistence of the low-level mesoscale vertical forcing locally consolidates and vertically transports boundary layer moisture, helping to reduce updraft dilution. However, these factors vary in relative impacts on cloudy updrafts across individual cases, indicating multiple pathways for deep convection initiation.

Convective storms↗

DOE OSTI2021

Soil and Water Chemistry and Trace Metal Extractability and Speciation in Wetland Soils from Illinois and South Carolina and Stream Sediments from Tennessee

Dataset revised on October 15, 2021. This revision adds sulfur and iron X-ray absorption near-edge structure spectra for the wetland soils and stream sediments from the field areas. It also renames the sample locations in a way that is more intuitive to readers of the companion paper that is under review. Finally, the data filenames and organization have been updated in their labeling to parallel the data sources in the associated paper. The abstract text and methods were also revised to reflect the data that was added to the dataset.Trace metals are essential for microbially-mediated biogeochemical processes occurring in anoxic wetland soils and stream bed sediments, such as denitrification, methanogenesis, and mercury methylation. Low availability of these elements may potentially inhibit key components of anaerobic carbon and nitrogen cycling and contaminant transformation. The solid-phase speciation of trace metals likely plays an important role in controlling their bioavailability. Metal speciation is well studied in contaminated soils and sediments as well as those naturally elevated in trace metals. However, less is known regarding the chemical forms of trace metals in systems having concentrations similar to geological background levels, the very settings where metal limitations may be most prevalent. We have investigated trace metal concentrations, extractability, and solid-phase speciation in three freshwater subsurface aquatic systems: marsh wetland soils, riparian wetland soils, and the sediments of a streambed.Data are provided for marsh wetland soils at Argonne National Laboratory, riparian wetland soils in the Tims Branch watershed at Savannah River National Laboratory, and stream bed sediments from East Fork Poplar Creek near Oak Ridge National Laboratory. Soil and sediment elemental abundances, mineralogy, and extractable nutrients as well as dissolved major elements, anions, trace metals, and nutrients in the overlying surface waters are provided. In addition, the results of sequential chemical extraction for the trace metals cobalt, nickel, copper, and zinc from the soils and sediment are reported as well as X-ray absorption near-edge structure (XANES) spectra in these materials are reported. To aid interpretation of these data, XANES spectra of sulfur in the soils and sediments as well as both XANES and extended X-ray absorption fine structure (EXAFS) spectra of iron in these materials are reported. The data package also includes the XANES spectra of reference standards and a potential interferent in the measurements. All data are provided in text-based CSV format with header sections indicating the data contained in each file and the corresponding units. Note that "u" is used in place of Greek lower case mu to indicate the micro prefix on units.

54 ENVIRONMENTAL SCIENCES↗