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At least 235 records · Page 13

A Process‐Model Perspective on Recent Changes in the Carbon Cycle of North America

Continental North America has been found to be a carbon (C) sink over recent decades by multiple studies employing a variety of estimation approaches. However, several key questions and uncertainties remain with these assessments. Here we used results from an ensemble of 19 state-of-the-art dynamic global vegetation models from the TRENDYv9 project to improve these estimates and study the drivers of its interannual variability. Our results show that North America has been a C sink with a magnitude of 0.37 ± 0.38 (mean and one standard deviation) PgC year —1 for the period 2000–2019 (0.31 and 0.44 PgC year —1 in each decade); split into 0.18 ± 0.12 PgC year —1 in Canada (0.15 and 0.20), 0.16 ± 0.17 in the United States (0.14 and 0.17), 0.02 ± 0.05 PgC year —1 in Mexico (0.02 and 0.02) and 0.01 ± 0.02 in Central America and the Caribbean (0.01 and 0.01). About 57% of the new C assimilated by terrestrial ecosystems is allocated into vegetation, 30% into soils, and 13% into litter. Losses of C due to fire account for 41% of the interannual variability of the mean net biome productivity for all North America in the model ensemble. Finally, we show that drought years (e.g., 2002) have the potential to shift the region to a small net C source in the simulations (—0.02 ± 0.46 PgC year —1 ). Our results highlight the importance of identifying the major drivers of the interannual variability of the continental-scale land C cycle along with the spatial distribution of local sink-source dynamics.

54 ENVIRONMENTAL SCIENCES↗

A Process-Model Perspective on Recent Changes in the Carbon Cycle of North America

Continental North America has been found to be a carbon (C) sink over recent decades by multiple studies employing a variety of estimation approaches. However, several key questions and uncertainties remain with these assessments. Here we used results from an ensemble of 19 state-of-the-art dynamic global vegetation models from the TRENDYv9 project to improve these estimates and study the drivers of its interannual variability. Our results show that North America has been a C sink with a magnitude of 0.37 ± 0.38 (mean and one standard deviation) PgC year−1 for the period 2000–2019 (0.31 and 0.44 PgC year−1 in each decade); split into 0.18 ± 0.12 PgC year−1 in Canada (0.15 and 0.20), 0.16 ± 0.17 in the United States (0.14 and 0.17), 0.02 ± 0.05 PgC year−1 in Mexico (0.02 and 0.02) and 0.01 ± 0.02 in Central America and the Caribbean (0.01 and 0.01). About 57% of the new C assimilated by terrestrial ecosystems is allocated into vegetation, 30% into soils, and 13% into litter. Losses of C due to fire account for 41% of the interannual variability of the mean net biome productivity for all North America in the model ensemble. Finally, we show that drought years (e.g., 2002) have the potential to shift the region to a small net C source in the simulations (−0.02 ± 0.46 PgC year−1). Our results highlight the importance of identifying the major drivers of the interannual variability of the continental-scale land C cycle along with the spatial distribution of local sink-source dynamics.

Guillermo Murray-Tortarolo↗

From Ensemble Climate to Ensemble Impacts

Many climate-risk tools rely on ensemble mean projections or endpoint climate snapshots to characterize future hazards. Although convenient for communication, these representations remove the statistical, temporal, and physical information that real infrastructure systems respond to. Infrastructure degradation and failure arise from extremes, sequences, cumulative stress, compound hazards, and nonlinear fragility relationships, none of which survive ensemble averaging or temporal compression. Power-system failure statistics and cascading failure models further show that infrastructure risk is dominated by tail events and path-dependent dynamics rather than by mean conditions. This paper demonstrates why ensemble mean or endpoint-only climate representations are mathematically and physically inconsistent with engineering-grade risk analysis. We outline a model-resolved, time-series-based workflow that preserves extremes, variability, and sequencing by propagating each climate-model realization independently through hazard formation, exposure, fragility, and cascading failure mechanisms. Taking the ensemble of impacts—rather than the ensemble of climate—provides a defensible, physically coherent foundation for infrastructure resilience planning, regulatory compliance, and long-term investment decisions.

54 - ENVIRONMENTAL SCIENCES/GLOBAL CLIMATE CHANGE ↗

Conformational and oligomeric states of SPOP from small-angle X-ray scattering and molecular dynamics simulations

Speckle-type POZ protein (SPOP) is a substrate adaptor in the ubiquitin proteasome system, and plays important roles in cell-cycle control, development, and cancer pathogenesis. SPOP forms linear higher-order oligomers following an isodesmic self-association model. Oligomerization is essential for SPOP’s multivalent interactions with substrates, which facilitate phase separation and localization to biomolecular condensates. Structural characterization of SPOP in its oligomeric state and in solution is, however, challenging due to the inherent conformational and compositional heterogeneity of the oligomeric species. Here, we develop an approach to simultaneously and self-consistently characterize the conformational ensemble and the distribution of oligomeric states of SPOP by combining small-angle X-ray scattering (SAXS) and molecular dynamics (MD) simulations. We build initial conformational ensembles of SPOP oligomers using coarse-grained molecular dynamics simulations, and use a Bayesian/maximum entropy approach to refine the ensembles, along with the distribution of oligomeric states, against a concentration series of SAXS experiments. Our results suggest that SPOP oligomers behave as rigid, helical structures in solution, and that a flexible linker region allows SPOP’s substrate-binding domains to extend away from the core of the oligomers. Additionally, our results are in good agreement with previous characterization of the isodesmic self-association of SPOP. In the future, the approach presented here can be extended to other systems to simultaneously characterize structural heterogeneity and self-assembly.

59 BASIC BIOLOGICAL SCIENCES↗

Cross - Scale Intercomparison of Climate Change Impacts Simulated by Regional and Global Hydrological Models in Eleven Large River Basins

Ideally, the results from models operating at different scales should agree in trend direction and magnitude of impacts under climate change. However, this implies that the sensitivity to climate variability and climate change is comparable for impact models designed for either scale. In this study, we compare hydrological changes simulated by 9 global and 9 regional hydrological models (HM) for 11 large river basins in all continents under reference and scenario conditions. The foci are on model validation runs, sensitivity of annual discharge to climate variability in the reference period, and sensitivity of the long-term average monthly seasonal dynamics to climate change. One major result is that the global models, mostly not calibrated against observations, often show a considerable bias in mean monthly discharge, whereas regional models show a better reproduction of reference conditions. However, the sensitivity of the two HM ensembles to climate variability is in general similar. The simulated climate change impacts in terms of long-term average monthly dynamics evaluated for HM ensemble medians and spreads show that the medians are to a certain extent comparable in some cases, but have distinct differences in other cases, and the spreads related to global models are mostly notably larger. Summarizing, this implies that global HMs are useful tools when looking at large-scale impacts of climate change and variability. Whenever impacts for a specific river basin or region are of interest, e.g. for complex water management applications, the regional-scale models calibrated and validated against observed discharge should be used.

Hydrological models↗

Impact of Satellite Sea Surface Salinity Observations on ENSO Predictions from the GMAO S2S Forecast System

El Nino/Southern Oscillation (ENSO) has far reaching global climatic impacts and so extending useful ENSO forecasts would be of great benefit for society. However, one key variable that has yet to be fully exploited within coupled forecast systems is accurate estimation of near-surface ocean density. Satellite Sea Surface Salinity (SSS), combined with temperature, help to identify ocean density changes and associated mixing near the ocean surface. We assess the impact of satellite SSS observations for improving near-surface dynamics within ocean analyses and how these impact dynamical ENSO forecasts using the NASA GMAO (Global Modeling and Assimilation Office) Sub-seasonal to Seasonal (S2S_v2.1) coupled forecast system (Molod et al. 2018 - i.e. NASA's contribution to the NMME (National Multi-Model Ensemble) project). For all initialization experiments, all available along-track absolute dynamic topography and in situ observations are assimilated using the LETKF ( Local Ensemble Transform Kalman Filter) scheme similar to Penny et al., 2013. A separate reanalysis additionally assimilates Aquarius V5 (September 2011 to June 2015) and SMAP (Soil Moisture Active Passive) V4 (March 2015 to present) along-track data.We highlight the impact of satellite SSS on ocean reanalyses by comparing validation statistics of experiments that assimilate SSS versus our current prediction system that withholds SSS. We find that near-surface validation versus observed statistics for salinity are slightly degraded when assimilating SSS. This is an expected result due to known biases between SSS (measured by the satellite at approximately 1 centimeter) and in situ measurements (typically measured by Argo floats at 3 meters). On the other hand, a very encouraging result is that both temperature, absolute dynamic topography, and mixed layer statistics are improved with SSS assimilation. Previous work has shown that correcting near-surface density structure via gridded SSS assimilation can improve coupled forecasts. Here we present results of coupled forecasts that are initialized from the GMAO S2S reanalyses that assimilates/withholds along-track (L2) SSS. In particular, we contrast forecasts of the overestimated 2014 El Nino, the big 2015 El Nino, and the minor 2016 La Nina. For each of these ENSO scenarios, assimilation of satellite SSS improves the forecast validation. Improved SSS and density upgrades the mixed layer depth leading to more accurate coupled air/sea interaction.

Hackert, E.↗

Impact of Satellite Sea Surface Salinity Observations on ENSO Predictions from the GMAO Seasonal Forecast System

El Nino/Southern Oscillation (ENSO) has far reaching global climatic impacts and so extending useful ENSO forecasts would be of great benefit for society. However, one key variable that has yet to be fully exploited within coupled forecast systems is accurate estimation of near-surface ocean density. Satellite sea surface salinity (SSS), combined with temperature, help to identify ocean density changes and associated mixing near the ocean surface. We assess the impact of satellite SSS observations for improving near-surface dynamics within ocean analyses and how these impact dynamical ENSO forecasts using the NASA GMAO (Global Modeling and Assimilation Office) Sub-seasonal to Seasonal (S2S_v2.1) coupled forecast system (Molod et al. 2018 - i.e. NASA's contribution to the NMME (North American Multi-Model Ensemble) project). For all initialization experiments, all available along-track absolute dynamic topography and in situ observations are assimilated using the LETKF (Local Ensemble Transform Kalman Filter) scheme similar to Penny et al., 2013. A separate reanalysis additionally assimilates Aquarius V5 (September 2011 to June 2015) and SMAP (Soil Moisture Active Passive satellite) V4.1 (March 2015 to present) along-track data.We highlight the impact of satellite SSS on ocean reanalyses by comparing validation statistics of experiments that assimilate SSS versus our current prediction system that withholds SSS. We find that near-surface validation versus observed statistics for salinity are slightly degraded when assimilating SSS. This is an expected result due to known biases between SSS (measured by satellite at approximately 1-centimeter depth) and in situ measurements (typically measured by Argo floats at 3-meters depth). On the other hand, a very encouraging result is that both temperature, absolute dynamic topography, and mixed layer statistics are improved with SSS assimilation. Previous work has shown that correcting near-surface density structure via gridded SSS assimilation can improve coupled forecasts. Here we present results of coupled forecasts that are initialized from GMAO S2S spring reanalyses that assimilate/withhold along-track (L2) SSS. In particular, we contrast forecasts of the big 2015 El Nino, the 2017 La Nina and the 2018 weak El Nino. For each of these ENSO scenarios, assimilation of satellite SSS improves the forecast validation. Improved SSS and density upgrade the mixed layer depth leading to more accurate coupled air/sea interaction. From March to June 2015, the availability of two overlapping satellite SSS instruments, Aquarius and SMAP, allows a unique opportunity to compare and contrast forecasts initialized with the benefit of these two satellite SSS observation types. We assess the impact of gridded satellite sea surface salinity observations on dynamical ENSO forecasts for the big 2015 El Nino.

Hackert, E.↗

27 AlNMR chemical shift of Al(OH)$^{-}_{4}$ calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems

Predicting accurate nuclear magnetic resonance chemical shieldings relies upon cancellation of different types of errors between the theoretically calculated shielding constant of the analyte of interest and the reference. Often, the intrinsic error in computed shieldings due to basis sets, approximations in the Hamiltonian, description of the wave function, and dynamic effects is nearly identical between the analyte and reference, yet if the electronic structure or sensitivity to local environment differs dramatically, this cannot be taken for granted. Detailed prior work has examined the octahedral trivalent cation Al(H 2 O)$^{3+}_{6}$, accounting for ab initio intrinsic errors. However, the use of this species as a reference for the chemically distinct tetrahedral anion Al(OH)$^{-}_{4}$ requires an understanding of how these errors cancel, in order to define the limits of accurately predicting 27 Al chemical shielding in Al(OH)$^{-}_{4}$. In this work, we estimate the absolute shielding of the 27 Al nucleus in Al(OH)$^{-}_{4}$ at the coupled cluster level (515.1± 5.3 ppm). Shielding sensitivity to the choice of method approximation and atomic basis sets used has been evaluated. Solvent and thermal effects are assessed through ensemble averaging techniques using ab-initio molecular dynamics. The contribution of each type of intrinsic error is assessed for the Al(H 2 O)$^{3+}_{6}$ and Al(OH)$^{-}_{4}$ ions, revealing significant differences that fundamentally hamper the ability to accurately calculate the 27 Al chemical shift of Al(OH)$^{-}_{4}$ from first principles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Symmetry, Statistics and Structure in MHD Turbulence

Here, we examine homogeneous MHD turbulence in terms of truncated Fourier series. The ideal MHD equations and the associated statistical theory of absolute equilibrium ensembles are symmetric under P, C and T. However, the presence of invariant helicities, which are pseudoscalars under P and C, dynamically breaks this symmetry. This occurs because the surface of constant energy in phase space has disjoint parts, called components: while ensemble averages are taken over all components, a dynamical phase trajectory is confined to only one component. As the Birkhoff-Khinchin theorem tells us, ideal MHD turbulence is thus non-ergodic. This non-ergodicity manifests itself in low-wave number Fourier modes that have large mean values (while absolute ensemble theory predicts mean values of zero). Therefore, we have coherent structure in ideal MHD turbulence. The level of non-ergodicity and amount of energy contained in the associated coherent structure depends on the values of the helicities, as well as on the presence, or not, of a mean magnetic field and/or overall rotation. In addition to the well known cross and magnetic helicities, we also present a new invariant, which we call the parallel helicity, since it occurs when mean field and rotation axis are aligned. The question of applicability of these results to real (i.e., dissipative) MHD turbulence is also examined. Several long-time numerical simulations on a 64(exp 3) grid are given as examples. It is seen that coherent structure begins to form before decay dominates over nonlinearity. The connection of these results with inverse spectral cascades, selective decay, and magnetic dynamos is also discussed.

Shebalin, John V.↗

Forced Patterns of Sea Level Rise in the Community Earth System Model Large Ensemble From 1920 to 2100

To provide context for observed sea level rise, the forced response (FR) in dynamic sea level (DSL) during the 20th and 21st centuries is examined in the Community Earth System Model Large Ensemble (LE). After accounting for simulation drift, which in the LE is sizable, the DSL FR is found to be complex, both in space and time. Its evolving character is suggested to arise from both the diversity and transient evolution of climate forcing agents and the slow adjustment timescales of the intermediate and deep oceans. Nonetheless, various intervals of spatially coherent change simulated for the recent past and near future are identified, and their characteristics and associated driving mechanisms are identified and discussed. The mid- to late-20th century DSL FR is characterized by an hemispherically asymmetric pattern of change, with depressed rates of rise in the northern oceans. There is also a dipole of change in the Southern Ocean caused by changes in near-surface zonal winds. Through the late 20th and early 21st centuries, a different pattern of rise emerges with elevated rates in the tropics and depressed rates at high latitudes. Zonal and interbasin variations characterize both intervals and involve the pattern and depth of anomalous ocean heat content storage and spatial contrasts in the expansion coefficient tied mainly to base state temperature, with greater rates of rise in warm regions per unit warming. Finally, the relative roles of surface flux and ocean convergence anomalies are examined.

54 ENVIRONMENTAL SCIENCES↗

A Stochastic Reduced-Order Model for Statistical Microstructure Descriptors Evolution

Integrated computational materials engineering (ICME) models have been a crucial building block for modern materials development, relieving heavy reliance on experiments and significantly accelerating the materials design process. However, ICME models are also computationally expensive, particularly with respect to time integration for dynamics, which hinders the ability to study statistical ensembles and thermodynamic properties of large systems for long time scales. To alleviate the computational bottleneck, we propose to model the evolution of statistical microstructure descriptors as a continuous-time stochastic process using a non-linear Langevin equation, where the probability density function (PDF) of the statistical microstructure descriptors, which are also the quantities of interests (QoIs), is modeled by the Fokker–Planck equation. In this work, we discuss how to calibrate the drift and diffusion terms of the Fokker–Planck equation from the theoretical and computational perspectives. The calibrated Fokker–Planck equation can be used as a stochastic reduced-order model to simulate the microstructure evolution of statistical microstructure descriptors PDF. Considering statistical microstructure descriptors in the microstructure evolution as QoIs, we demonstrate our proposed methodology in three integrated computational materials engineering (ICME) models: kinetic Monte Carlo, phase field, and molecular dynamics simulations.

97 MATHEMATICS AND COMPUTING↗

Dynamical tuning of the chemical potential to achieve a target particle number in grand canonical Monte Carlo simulations

We present a method to facilitate Monte Carlo simulations in the grand canonical ensemble given a target mean particle number. The method imposes a fictitious dynamics on the chemical potential, to be run concurrently with the Monte Carlo sampling of the physical system. Corrections to the chemical potential are made according to time-averaged estimates of the mean and variance of the particle number, with the latter being proportional to thermodynamic compressibility. Here, we perform a variety of tests, and in all cases find rapid convergence of the chemical potential—inexactness of the tuning algorithm contributes only a minor part of the total measurement error for realistic simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Conservation laws and effective hadronization models

Hadronization models based on local string-breaking dynamics are typically Markovian by construction, yet the physical ensemble of final states is shaped by global constraints that couple the entire fragmentation trajectory. Recasting hadronization as a conditioned stochastic diffusion process provides a precise mathematical resolution to this tension. In particular, this language reveals explicitly that constraints stemming from conservation laws induce non-Markovian correlations between otherwise independent fragmentation steps, and that these correlations can be absorbed exactly into a renormalization of the local dynamics through a Doob $h$-transform. We develop this formalism for a $q\bar{q}$ string in the chiral limit, where the longitudinal-transverse factorization of the Lund kernel becomes exact, enabling systematic power counting and clean ultraviolet (UV)/infrared (IR) separation. The dynamics organize naturally into a tower of effective theories distinguished by the remaining string mass, spanning a UV fixed point with scale-invariant transport coefficients, an intermediate regime where transverse phase space induces controlled running, and an IR boundary layer where non-local effects enter at leading order. The tower exhibits genuine Wilsonian structure, including $β$-functions, anomalous dimensions, and systematic matching conditions. The resulting framework achieves a clean factorization of universal microscopic fragmentation dynamics from infrared constraint effects, and opens new directions for both the theoretical analysis and practical simulation of hadronization.

Menzo, Tony [Alabama U.; Fermilab] (ORCID:00000002↗

Tunable shear thickening, aging, and rejuvenation in suspensions of shape-memory-endowed liquid crystalline particles

The morphological features of particles, notably shape anisotropy, critically influence the rheological properties of dense suspensions, spanning both natural and engineered systems. This work explores the potential of using shape memory particles to dynamically regulate suspension fluid flow through controllable shape transformations. First, we synthesize shape-memory particles with programmable anisotropy from liquid crystal elastomers, such that the stiffness and shapes of the particles can be tuned by manipulating temperature. Our findings reveal that suspensions from such particles exhibit significant tunability in shear thickening behavior, transitioning from discontinuous shear thickening to a Newtonian-like response within a narrow temperature range of 60 ° C. This capability to modulate rheological responses in situ presents an approach for addressing processing challenges in many applications where control over flow behavior is paramount. Furthermore, we also show that suspensions composed of these anisotropic particles can undergo physical aging, and evolve into a glassy state. This state can be escaped upon activation of the shape memory effect. This reversibility underscores the potential for using such materials to engineer systems that can enter or come out of kinetic arrest by leveraging internal mechanical responses to external stimuli. The insights gained here not only broaden our understanding of the interplay between particle geometry and suspension dynamics but also pave the way for leveraging ensembles of stimuli-responsive objects to precisely control collective behaviors in many-body systems.

Science & Technology - Other Topics↗

Impacts of stochastic coalescence variability on warm rain initiation using Lagrangian microphysics in box and large-eddy simulations

Various coalescence methods for Lagrangian microphysics schemes are tested in box and large-eddy simulation (LES) models, including the stochastic all-or-nothing super-droplet method (SDM) and a version of SDM (dSDM) that applies a fractional approach similar to the average impact method. In LES, variabilities driven by microphysics and by flow realizations are separated using the “piggybacking” technique. Rain initiation averaged over many realizations of the box model is delayed and rain variability increases as the number of super-drops per collision volume ( N SD ) is decreased using SDM. In contrast, rain initiation time using SDM in LES is insensitive to N SD for 32 ≤ N SD ≤ 512. This is explained through the interaction between LES grid boxes, each acting as a separate collision volume. Variability across the ensemble of LES collision volumes using SDM results in rain quickly initiating in some of the LES grid cells at low N SD and leading to a similar overall timing of rain initiation from the cloud compared to simulations with high N SD . There is a ~20% decrease in the total rain mass and mean rain flux as N SD is increased from 32 to 256, with little additional change as N SD is increased from 256 to 512. The fractional coalescence approach in dSDM leads to reduced microphysical variability and a 15-18 min delay in rain initiation compared to SDM. Finally, an additional LES ensemble with microphysical variability feeding back to the dynamics shows that flow variability dominates the impact of microphysical variability on rain properties. Thus, flow variability must be constrained to isolate impacts of microphysical variability.

54 ENVIRONMENTAL SCIENCES↗

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol

We seek to completely revise current models of airborne transmission of respiratory viruses by providing never-before-seen atomic-level views of the SARS-CoV-2 virus within a respiratory aerosol. Our work dramatically extends the capabilities of multiscale computational microscopy to address the significant gaps that exist in current experimental methods, which are limited in their ability to interrogate aerosols at the atomic/molecular level and thus obscure our understanding of airborne transmission. We demonstrate how our integrated data-driven platform provides a new way of exploring the composition, structure, and dynamics of aerosols and aerosolized viruses, while driving simulation method development along several important axes. We present a series of initial scientific discoveries for the SARS-CoV-2 Delta variant, noting that the full scientific impact of this work has yet to be realized.

60 APPLIED LIFE SCIENCES↗

Connections Between Mean North Pacific Circulation and Western US Precipitation Extremes in a Warming Climate

Abstract Extreme precipitation has widespread impacts over the western US (WUS), which are expected to be exacerbated in the future given thermodynamically driven increases in atmospheric moisture and shifts in atmospheric circulation patterns. However, internal climate variability complicates how these factors affect future projections of precipitation changes. In this study, we investigate late 21st‐century changes in mean‐state responses over the North Pacific Ocean and associated WUS precipitation extremes using the Multi‐Model Large Ensemble Archive, which is a recent and valuable resource to disentangle the effects of model structural differences from internal variability. We found that inter‐model differences in precipitation extremes over the WUS are large: from south to north (here, from California to Washington), models show different levels of increases for both the frequency and intensity of heavy precipitation. In general, the Pacific Northwest sees a more consistent signal than California. We show that wet‐season mean circulation influences extreme precipitation, by using a decomposition of the relative contributions of thermodynamic (atmospheric humidity) and dynamic (large‐scale circulation) driven changes. The thermodynamic contribution dominates, however, the dynamic contribution varies with latitude and differs substantially between model ensembles. Inter‐model differences affect the spread in not only the magnitude, but also the sign of the dynamic contribution. This implies that mean circulation changes contribute to uncertainty in quantifying the regional structure of concentrated moisture flux and future extreme events. This result highlights the need to more accurately constrain projected North Pacific coupled circulation changes to narrow the spread in projections of future precipitation extremes.

54 ENVIRONMENTAL SCIENCES↗