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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Experimental and Computational Evaluation of Nicotinamide Cofactor Biomimetics

Oxidoreductase enzymes are widely used biocatalysts due to their high enantioselectivity and broad substrate compatibility in useful transformations. Many oxidoreductases require nicotinamide cofactors (i.e., NAD(P)H). To replace this costly natural cofactor, synthetic nicotinamide cofactor biomimetics (NCBs) offer different shapes, binding affinities, and reducing potentials that exceed the capabilities of wild-type NAD(P)H. However, the ill-defined structure–activity relationships (SARs) of various NCBs slow rationally guided innovation, such as customized reducing potentials. Here, we dissect two essential elements of NCB design, holding the nicotinamide invariant. First, the linker length between the nicotinamide and an unconjugated aromatic ring uncovered unexpected benefits to redox activity for two or three carbon linkers. Second, substitution on this unconjugated aryl group (Ring 2) might not be expected to affect activity. However, SAR trends demonstrate substantial benefits to reductive potential conferred by electron-donating functionalities on Ring 2. Furthermore, catalysis by two enzymes demonstrates enzyme-dependent tolerance or sensitivity to the NCB structures. Density functional theory (DFT) and computational modeling provide a theoretical framework to understand and build upon these observations. Ring 2 reaches up to the nicotinamide to stabilize its positive charge after oxidation through π–π stacking and charge transfer. Thus, the systematic examination of NCB’s stability, electrochemical redox potentials, and kinetics uncovers trends for the improved design of NCBs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Oxygen Evolution on Mechanically Strained TiO2/NiTi: Implications of Compositional Heterogeneity at (Photo)Electrocatalytic Interfaces

The adsorption and activation energetics underpinning small molecule conversion on heterogeneous (photo)electrocatalysts are intrinsically tied to catalyst surface properties. Absent compositional characterization techniques with sufficient interface sensitivity, however, (photo)electrochemical performance can be misinterpreted in the context of bulk or near-surface material properties. Here we provide a fundamental investigation of the convoluting role of near-surface compositional heterogeneity in the interpretation of (photo)electrochemical alkaline oxygen evolution reaction (OER) activity, highlighting challenges in correlating composition measured by surface- and near-surface-sensitive probes. TiO2 thin films grown by air-annealing the superelastic alloy Nitinol (TiO2/NiTi) crack under tensile mechanical strain, increasing the number of electrochemically active Ni sites (Ni site density) that are probed via voltammetric features corresponding to Ni3+/Ni2+ redox events. (Photo)electrochemical OER kinetics trend with Ni site density, with overpotentials and Tafel slopes decreasing for Ni site densities < 1013 Ni/cm2geo and asymptotically approaching the performance of the base NiTi substrate for Ni site densities > 1013 Ni/cm2geo. Photoelectrochemical fill factors follow similar Ni site density dependent trends. When probing unstrained TiO2/NiTi, Ni site densities are two orders of magnitude higher when comparing near-surface-sensitive techniques (e.g., X-ray photoelectron spectroscopy (XPS), time of flight secondary ion mass spectrometry (TOF-SIMS), and scanning transmission electron microscopy-energy dispersive X-ray spectroscopy (STEM-EDS)) to surface-sensitive electrochemical measurements. This result highlights the challenge of correlating kinetic performance with intrinsic surface properties of electrochemical interfaces in the presence of near-surface compositional heterogeneity. Further, it reinforces the importance of fundamental investigations of surfaces with well-controlled composition and structure and the need for physically grounded and self-consistent interpretation of multiple near-surface characterization techniques.

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

A Minimal Information Set To Enable Verifiable Theoretical Battery Research

Batteries are an enabling technology for addressing sustainability through the electrification of various forms of transportation (1) and grid storage. (2) Batteries are truly multi-scale, multi-physics devices, and accordingly various theoretical descriptions exist to understand their behavior (3-5) ranging from atomistic details to techno-economic trends. As we explore advanced battery chemistries (6,7) or previously inaccessible aspects of existing ones, (8-10) new theories are required to drive decisions. (11-13) The decisions are influenced by the limitations of the underlying theory. Advanced theories used to understand battery phenomena are complicated and require substantial effort to reproduce. However, such constraints should not limit the insights from these theories. We can strive to make the theoretical research verifiable such that any battery stakeholder can assess the veracity of new theories, sophisticated simulations or elaborate analyses. We distinguish verifiability, which amounts to “Can I trust the results, conclusions and insights and identify the context where they are relevant?”, from reproducibility, which ensures “Would I get the same results if I followed the same steps?” With this motivation, we propose a checklist to guide future reports of theoretical battery research in Table 1. We hereafter discuss our thoughts leading to this and how it helps to consistently document necessary details while allowing complete freedom for creativity of individual researchers. Given the differences between experimental and theoretical studies, the proposed checklist differs from its experimental counterparts. (14,15) This checklist covers all flavors of theoretical battery research, ranging from atomic/molecular calculations (16-19) to mesoscale (20,21) and continuum-scale interactions, (9,22) and techno-economic analysis. (23,24) Finally, as more and more experimental studies analyze raw data, (25) we feel this checklist would be broadly relevant.

25 ENERGY STORAGE↗
DOE OSTI2025

Distinct Gas-Particle Partitioning and Viscosity Characteristics of Secondary Organic Aerosols Derived from α-Pinene versus Ocimene

Secondary organic aerosols (SOA) have complex, multicomponent composition that controls particle viscosity and gas-particle partitioning, key factors to their atmospheric evolution. This study investigates the chemical composition, volatility and viscosity of SOA formed by ozonolysis of cyclic α-pinene (PSOA) and acyclic ocimene (OSOA) monoterpenes. Using Temperature-Programmed Desorption combined with Direct Analysis in Real-Time ionization and High-Resolution Mass Spectrometry, we determined the molecular composition and saturation mass concentration of individual SOA constituents. These data enabled gas-particle partitioning and viscosity estimates under varied atmospheric conditions. PSOA, composed of higher molecular weight and less oxidized species, shows higher condensability and viscosity under high total organic mass (tOM) loadings. Here, in contrast, OSOA, consisting of more oxidized, lower molecular weight species, exhibits greater sensitivity to tOM, with viscosity increasing significantly upon dilution. Poke-flow experiments support this trend, indicating that OSOA undergoes more dynamic compositional and phase changes during atmospheric aging. These observations reveal distinct dynamic trends in the atmospheric transformations and reactivity of SOA from cyclic and acyclic monoterpenes, with the latter showing greater compositional changes during aging that alter viscosity and diffusion. This highlights the importance of incorporating such dynamic transformations into atmospheric models to improve predictions of SOA atmospheric loadings, lifetimes, and impacts.

cyclic and acyclic monoterpenes↗
DOE OSTI2026

Brittle-to-Ductile Transition Temperature Decreases at the Microscale in Muscovite Mica

Characterizing the structural and chemical transitions of muscovite mica across various scales and thermal profiles is essential for ensuring the reliability of high-voltage power insulation, aerospace thermal barriers, and nanoscale semiconductor substrates under extreme operational stress. Here, we investigate notch fracture toughness $K^{n}_{Ic}$ of muscovite mica as a function of feature size w and temperature T with microscale shear testing. $K^{n}_{Ic}$ decreased and then stayed constant as w increased, likely from fabrication-induced changes to the microstructure and roughness. Moreover, $K^{n}_{Ic}$ initially decreased and then increased as temperature T increased, with the reversal in trend indicative of a brittle-to-ductile transition. Complementary Raman spectroscopy and molecular dynamics showed that the observed trends were due to an increase in bond lengths and a decrease in critical stresses/strains. In comparing the microscale results to macroscale counterparts, it was surmised that the decrease in brittle-to-ductile transition temperature was due to an increase in the dehydroxylation rate.

DelRio, Frank W. [Sandia National Laboratories (SN↗
DOE OSTI2024

Water, Solute, and Ion Transport in De Novo-Designed Membrane Protein Channels

Biological organisms engineer peptide sequences to fold into membrane pore proteins capable of performing a wide variety of transport functions. Synthetic de novo-designed membrane pores can mimic this approach to achieve a potentially even larger set of functions. Here, in this work, we explore water, solute, and ion transport in three de novo designed β-barrel membrane channels in the 5–10 Å pore size range. We show that these proteins form passive membrane pores with high water transport efficiencies and size rejection characteristics consistent with the pore size encoded in the protein structure. Ion conductance and ion selectivity measurements also show trends consistent with the pore size, with the two larger pores showing weak cation selectivity. MD simulations of water and ion transport and solute size exclusion are consistent with the experimental trends and provide further insights into structure–function correlations in these membrane pores.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Fermi Velocity Dependent Critical Current in Ballistic Bilayer Graphene Josephson Junctions

We perform transport measurements on proximitized, ballistic, bilayer graphene Josephson junctions (BGJJs) in the intermediate-to-long junction regime (L > ξ). We measure the device’s differential resistance as a function of bias current and gate voltage for a range of different temperatures. The extracted critical current IC follows an exponential trend with temperature: exp(−k B T/δE). Here δE = ħν F /2πL: an expected trend for intermediate-to-long junctions. From δE, we determine the Fermi velocity of the bilayer graphene, which is found to increase with gate voltage. Simultaneously, we show the carrier density dependence of δE, which is attributed to the quadratic dispersion of bilayer graphene. This is in contrast to single layer graphene Josephson junctions, where δE and the Fermi velocity are independent of the carrier density. The carrier density dependence in BGJJs allows for additional tuning parameters in graphene-based Josephson junction devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Exploring Microphase Separation in Semi-Fluorinated Diblock Copolymers: A Combined Experimental and Modeling Investigation

We report the combined experimental and theoretical study of the bulk self-assembly behavior of polystyrene-blockpoly( 2,3,4,5,6-pentafluorostyrene) diblock copolymers. These block copolymers were designed to create highly antagonistic blocks (with a high Flory−Huggins interaction parameter, χ) with minimum disruption to the molecular construct (i.e., only replacing five hydrogen atoms with five fluorine atoms). A large library of diblock copolymers (41 samples) was synthesized by reversible addition− fragmentation chain transfer (RAFT) polymerization to map out a major portion of the phase space. All block copolymers exhibited narrow molecular weight distributions with dispersity (D) values between 1.07 and 1.32, and subsequent thermal annealing revealed phase separation into well-defined nanoscale morphologies depending on their molecular composition, as determined from small-angle X-ray scattering and transmission electron microscopy analyses, with an experimental phase diagram being constructed. The χ value at 25 °C for this block copolymer was estimated to be 0.2 using strong segregation theory, based on trends in phase-separated domain spacing and interfacial width. When applying theoretical approaches, the majority of the domain spacing data trends were captured by a coil−coil diblock copolymer model; however, a better fit to the data for samples with shorter fluorinated blocks was obtained with a rod−coil model, indicating that the chains in these fluorinated blocks likely have a higher inherent stiffness and were thus rod-like. This observation demonstrates that, due to the very high value of χ, a transition from coil−coil to rod−coil behavior can be obtained purely by reducing the length of the stiffer of the two blocks and without varying temperature or the chemical composition of the polymers. Here, this work showcases the presence of strong microphase separation within AB diblock copolymers despite the relatively similar chemical composition of the constituent “A” and “B” units, with a clear transition from rod−coil to coil−coil segregation behavior.

RAFT polymerization↗
DOE OSTI2022

Plasma-Catalyst Reactivity Control of Surface Nitrogen Species through Plasma-Temperature-Programmed Hydrogenation to Ammonia

Nonthermal plasma activation of N 2 can facilitate nitrogen adsorption on metal catalysts at low bulk temperatures and atmospheric pressure. Here, we apply a plasma-assisted temperature-programmed reaction (plasma-TPRxn) for ammonia (NH 3 ) synthesis using sequential exposure of a silica-supported metal catalyst to N 2 plasma followed by thermal hydrogen treatment while ramping the temperature to decouple the plasma activation of N 2 from surface catalyzed hydrogenation steps. This approach eliminates the effects from bulk plasma phase reactions, thereby allowing for direct interrogation of plasma activated nitrogen on the active metal surfaces. We confirm previously reported spectroscopic observations that show plasma-generated surface nitrogen can be converted to NH 3 through surface catalyzed pathways. Further, we demonstrate that the ammonia desorption peak temperature is sensitive to metal, with Pt desorbing NH 3 at the lowest temperature. Unsteady state microkinetic models of desorption kinetics as a function of initial N coverage and metal recover observed trends in NH 3 desorption temperatures and confirm that observed results reflect hydrogenation of plasma-induced N accommodation at each surface. In total, we show that the hydrogenation ability of the catalyst after plasma activation of N 2 is responsible for the reactivity trends observed in plasma-assisted NH 3 synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Transient Triplet Metallopnictinidenes M–Pn (M = Pd II , Pt II ; Pn = P, As, Sb): Characterization and Dimerization

Nitrenes (R–N) have been subject to a large body of experimental and theoretical studies. The fundamental reactivity of this important class of transient intermediates has been attributed to their electronic structures, particularly the accessibility of triplet vs singlet states. In contrast, electronic structure trends along the heavier pnictinidene analogues (R–Pn; Pn = P–Bi) are much less systematically explored. We here report the synthesis of a series of metallodipnictenes, {M–Pn=Pn–M} (M = Pd II , Pt II ; Pn = P, As, Sb, Bi) and the characterization of the transient metallopnictinidene intermediates, {M–Pn} for Pn = P, As, Sb. Structural, spectroscopic, and computational analysis revealed spin triplet ground states for the metallopnictinidenes with characteristic electronic structure trends along the series. In comparison to the nitrene, the heavier pnictinidenes exhibit lower-lying ground state SOMOs and singlet excited states, thus suggesting increased electrophilic reactivity. Furthermore, the splitting of the triplet magnetic microstates is beyond the phosphinidenes {M–P} dominated by heavy pnictogen atom induced spin–orbit coupling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Intrinsically Bifunctional and Tunable Tungsten Carbide Catalysts Enable Efficient PVC-Compatible Polyolefin Hydrocracking

Hydrocracking is a promising route for the chemical recycling of polyolefins (PO), converting them into short hydrocarbons over bifunctional catalysts with metal sites for hydrogenation and dehydrogenation, and Brønsted acid sites (BAS) for isomerization and C–C bond cleavage. However, PO feedstocks containing polyvinyl chloride (PVC) can release chlorine (Cl) under reaction conditions, deactivating conventional noble metal/zeolite catalysts. Moreover, the lack of site intimacy and the presence of micropores within conventional catalysts create challenges around the transport of high-molecular-weight, sterically encumbered polymer intermediates. Here, in this study, we report tungsten carbides (W x C) as a novel type of bifunctional catalysts that address these challenges. W/W 2 C phases on W x C offer “metal” sites, and −OH on WO x species introduces BAS in close proximity. The “metal”:BAS ratio can be tuned through carburization temperature, leading to a volcano-shaped activity trend reflecting the requirement for metal–BAS balance. Kinetic data demonstrate that each PO chain undergoes sequential cleavage, while trends in cracking ideality and selectivity follow those in short-alkane hydrocracking. On the per-BAS basis, W x C is more efficient than conventional bifunctional catalysts by more than an order of magnitude, due to enhanced polymer transport. They maintain or show increased activity with 10 wt % PVC in the substrate. This work establishes transition-metal carbides as earth-abundant bifunctional catalysts with unique site proximity and heteroatom compatibility. These features, along with the broad structure space for rational tuning, make them promising options to tackle specific challenges that polymer feedstocks present in hydrocracking.

Nwachukwu, Uchenna C. [Univ. of Akron, OH (United ↗
DOE OSTI2026

From Oxo to Oxyl to Biradical: Systematic Multireference Calculations of Methane Activation at MOF Nodes

Methane C–H activation at transition-metal sites often involves electronic structures that challenge conventional single-reference electronic structure descriptions. Although Kohn–Sham density functional theory (DFT) is widely used to study catalytic trends, its reliability for reactions involving strongly correlated species remains uncertain. Here we present a systematic multireference investigation of methane activation at metal–organic framework (MOF) node catalysts across the 3d transition-metal series. We introduce an automated workflow for active space selection to enable consistent application of multireference methods, including multiconfiguration pair-density functional theory and n-electron valence state perturbation theory, to these catalytic systems. These calculations show substantial static correlation in the C–H activation reaction step and predict activation barriers that differ from DFT by 30–70 kJ mol–1, with DFT often qualitatively disagreeing in barrier height trends across transition metals. Analysis of multireference wave functions shows that reactivity is governed by the electronic structure of the M–O moiety along a continuum from metal–oxo to oxyl radical and O biradical character. Increased oxygen-centered spin density and weakened M–O bonding are identified as descriptors of catalytic activity which correlate with lower activation barriers.

Wardzala, Jacob↗
DOE OSTI2025

A Universal Model of Cation Effects in Electrocatalysis

Electrolyte cations are conventionally viewed as inert spectators in electrocatalysis. However, a wealth of observations show that catalytic rates are often highly sensitive to cation identity. Despite their prevalence, these cation effects have resisted a unified mechanistic explanation, with different physical phenomena implicated across reaction chemistries, catalyst compositions, and choice of solvent. In this perspective, we describe a general framework for understanding cation effects in electrocatalysis based on electrostatics. We argue that cations influence reaction rates by modifying the strength of the electric field present at the catalyst surface, which alters the energetics of adsorbed intermediates and transition states according to their dipole moments and polarizabilities. The magnitude of this field depends on how cations arrange at the electrode surface, controlled by their size, shape, solvation, and packing efficiency. Cations that can arrange more densely result in a steeper potential drop at the electrode surface and consequently a stronger electric field. Our model further identifies two criteria for observing cation effects: (1) the operating potential must be negative of the electrode’s potential of zero total charge, ensuring that cations accumulate at the interface, and (2) the energetics of the kinetically relevant elementary step must be field sensitive. This framework reconciles previously inconsistent trends, including why cation effects appear only for some catalysts, why reaction selectivity is sensitive to cation identity, and why activity can increase with cation size on certain metals but decrease on others. Supported by kinetic measurements, spectroscopy, and atomistic simulations, the model provides both conceptual value for building intuition about catalysis at charged interfaces and predictive value for anticipating trends for new reactions, catalysts, and electrolytes. We conclude by highlighting the importance of electric fields across electrochemical, thermochemical, and biological catalysis and propose that considering the electrostatic environment around active sites offers new opportunities for improving activity and selectivity.

cation effects↗
DOE OSTI2020

Subseasonal Variability of Elevated Dust Concentrations Over South Florida

Dust mass concentrations have been measured daily at Miami, Florida, in the summer months, and biweekly throughout the remaining months, since 1974. The 43-year record of dust mass concentrations indicate large daily, seasonal, and interannual variations, with most of the dust arriving within 5–8 episodes each summer. On average, dust arrives to Miami, Florida, 10 days after emission from North Africa, with measured concentrations depending on characteristics of the lower free-tropospheric winds due to the vast travel distance. Daily dust mass concentrations from July and August, the months that contribute the most to the annual mean, are used to characterize the synoptic conditions most favorable for dust transport. Two key regions are linked with the highest daily dust mass concentrations above Miami: (i) easterly winds, averaged over 850–500 mb, over the Tropical West Atlantic [15–25°N, 45–80°W], and (ii) southerly winds, similarly averaged, over the Florida Peninsula [20–30°N,75–80°W]. Winds within these two regions are enhanced when the North Atlantic subtropical high is displaced south and zonally elongated, relocating the western edge over Florida. A dust-transport-efficiency index, based on the maximum potential for dust to arrive above Miami with limited loss to deposition or mixing, identifies high-dust loading cases on the subseasonal scale. Monthly dust-transport-efficiency values agree well with the monthly dust trends over the 43-year time span. While seasonal dust loadings have been decreasing over Florida in the past decade, the transport efficiency has been increasing, possibly due to trends in the North Atlantic subtropical high.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Analyzing Wildland Fire Smoke Emissions Data Using Compositional Data Techniques

By conservation of mass, the mass of wildland fuel that is pyrolyzed and combusted must equal the mass of smoke emissions, residual char and ash. For a given set of conditions, these amounts are fixed. This places a constraint on smoke emissions data which violates statistical assumptions for many of the methods currently used to analyze these data such as linear regression, analysis of variance, and t-tests. These data are inherently multivariate and non-negative parts of a whole. This paper introduces the field of compositional data analysis to the emissions community and provides examples of appropriate statistical treatment of emissions data. It is shown that modified combustion efficiency should not be used as a predictor variable for other smoke emissions because it is not an independent variable. An alternative method based on compositional linear trends to estimate trace gas composition using CO and CO2 is presented. The data used in this paper resulted from projects the DOD/DOE/EPA Strategic 586 Environmental Research and Development Program projects RC-1648 and 1649. The senior 587 author appreciates the guidance and R scripts provided by Prof. Girty at San Diego State 588 University to estimate linear trends by perturbation. J. P.-A. was supported by the Spanish 589 Ministry of Science, Innovation and Universities under the project CODAMET (RTI2018-590 095518-B-C21, 2019-2021). The data used in this study have been previously published and are 591 available in the original publications. DRW conceived the initial manuscript (70 percent) and 592 performed the bulk of the data analysis. JPA provided statistical guidance and compositional data 593 expertise and contributed 20 percent of the manuscript. TJJ and HJ were extensively involved in 594 the study that provided the data. TJJ provide smoke emissions expertise and HJ provided 595 combustion expertise. The authors declare that they have no conflict of interest. The use of trade 596 or firm names in this publication is for reader information and does not imply endorsement by 597 the U.S. Department of Agriculture of any product or service.

simplex, compositional data analysis, balance, log↗
DOE OSTI2021

A Retrospective and Prospective Examination of the 1960s U.S. Northeast Drought

As the most severe drought over the Northeastern United States (NEUS) in the past century, the 1960s drought had pronounced socioeconomic impacts. Although it was followed by a persisting wet period, the conditions leading to the 1960s extreme drought could return in the future, along with its challenges to water management. To project the potential consequences of such a future drought, pseudo-global warming simulations using the Weather Research and Forecasting Model are performed to simulate the dynamical conditions of the historical 1960s drought, but with modified thermodynamic conditions under the shared socioeconomic pathway SSP585 scenario in the early (2021–2027), middle (2041–2047), and late (2091–2097) 21st century. Our analysis focuses on essential hydroclimatic variables including temperature, precipitation, evapotranspiration, soil moisture, snowpack, and surface runoff. In contrast to the historical 1960s drought, similar dynamical conditions will generally produce more precipitation, increased soil moisture and evapotranspiration, and reduced snowpack. However, we also find that although wet months get much wetter, dry months may become drier, meaning that wetting trends are most significant in wet months but are essentially negligible for extremely dry months with negative monthly mean net precipitation. For these months, the trend toward wetting conditions provides little relief from the effects of extreme dry months. These conditions may even aggravate water shortages due to an increasingly rapid transition from wet to dry conditions. Other challenges emerge for residents and stakeholders in this region, including more extreme hot days, record-low snow pack, frozen ground degradation and subsequent decreases in surface runoff.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Hysteresis Patterns of Watershed Nitrogen Retention and Loss Over the Past 50 years in United States Hydrological Basins

Patterns of watershed nitrogen (N) retention and loss are shaped by how watershed biogeochemical processes retain, biogeochemically transform, and lose incoming atmospheric deposition of N. Loss patterns represented by concentration, discharge, and their associated stream exports are important indicators of integrated watershed N retention behaviors. We examined continental United States (CONUS) scale N deposition (e.g., wet and dry atmospheric deposition), vegetation trends, and stream trends as potential indicators of watershed N-saturation and retention conditions, and how watershed N retention and losses vary over space and time. By synthesizing changes and modalities in watershed nitrogen loss patterns based on stream data from 2200 U.S. watersheds over a 50 years record, our work revealed two patterns of watershed N-retention and loss. One was a hysteresis pattern that reflects the integrated influence of hydrology, atmospheric inputs, land-use, stream temperature, elevation, and vegetation. The other pattern was a one-way transition to a new state. We found that regions with increasing atmospheric deposition and increasing vegetation health/biomass patterns have the highest N-retention capacity, become increasingly N-saturated over time, and are associated with the strongest declines in stream N exports—a pattern, that is, consistent across all land cover categories. We provide a conceptual model, validated at an unprecedented scale across the CONUS that links instream nitrogen signals to upstream mechanistic landscape processes. Our work can aid in the future interpretation of in-stream concentrations of DOC and DIN as indicators of watershed N-retention status and integrators of watershed hydrobiogeochemical processes.

58 GEOSCIENCES↗