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DOE OSTI2015

High pressure–temperature phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7)

In this study, the pressure–temperature (P–T) phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7) was determined by in situ synchrotron infrared radiation spectroscopy with the resistively heated diamond anvil cell (DAC) technique. The stability of high-P–T FOX-7 polymorphs is established from ambient pressure up to 10 GPa and temperatures until decomposition. The phase diagram indicates two near isobaric phase boundaries at ~2 GPa (α → I) and ~5 GPa (I → II) that persists from 25 °C until the onset of decomposition at ~300 °C. In addition, the ambient pressure, high-temperature α → β phase transition (~111 °C) lies along a steep boundary (~100 °C/GPa) with a α–β–δ triple point at ~1 GPa and 300 °C. A 0.9 GPa isobaric temperature ramping measurement indicates a limited stability range for the γ-phase between 0.5 and 0.9 GPa and 180 and 260 °C, terminating in a β–γ–δ triple point. With increasing pressure, the δ-phase exhibited a small negative dT/dP slope (up to ~0.2 GPa) before turning over to a positive 70 °C/GPa slope, at higher pressures. The decomposition boundary (~55 °C/GPa) was identified through the emergence of spectroscopic signatures of the characteristic decomposition products as well as trapped inclusions within the solid KBr pressure media.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Sendai virus intra-host population dynamics and host immunocompetence influence viral virulence during in vivo passage

In vivo serial passage of non-pathogenic viruses has been shown to lead to increased viral virulence, and although the precise mechanism(s) are not clear, it is known that both host and viral factors are associated with increased pathogenicity. Under- or overnutrition leads to a decreased or dysregulated immune response and can increase viral mutant spectrum diversity and virulence. The objective of this study was to identify the role of viral mutant spectra dynamics and host immunocompetence in the development of pathogenicity during in vivo passage. Because the nutritional status of the host has been shown to affect the development of viral virulence, the diet of animal model reflected two extremes of diets which exist in the global population, malnutrition and obesity. Sendai virus was serially passaged in groups of mice with differing nutritional status followed by transmission of the passaged virus to a second host species, guinea pigs. Viral population dynamics were characterized using deep sequence analysis and computational modeling. Histopathology, viral titer and cytokine assays were used to characterize viral virulence. Viral virulence increased with passage and the virulent phenotype persisted upon passage to a second host species. Additionally, nutritional status of mice during passage influenced the phenotype. Sequencing revealed the presence of several non-synonymous changes in the consensus sequence associated with passage, a majority of which occurred in the hemagglutinin-neuraminidase and polymerase genes, as well as the presence of persistent high frequency variants in the viral population. In particular, an N1124D change in the consensus sequences of the polymerase gene was detected by passage 10 in a majority of the animals. In vivo comparison of an 1124D plaque isolate to a clone with 1124N genotype indicated that 1124D was associated with increased virulence.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Cloud-Based Demonstration of the Eastern Interconnection Situational Awareness Monitoring System (ESAMS)

This report describes a cloud-based implementation and field demonstration of the Eastern Interconnection Situational Awareness and Monitoring System (ESAMS). ESAMS was developed to support the detection and source localization of forced oscillations using synchrophasor measurements from tie-lines connecting areas served by different reliability coordinators (RCs), so that RCs could better coordinate their response to wide-area events. A previous effort had identified deployment barriers associated with hosting shared situational awareness tools at a single RC. To address these barriers, ESAMS was migrated to Amazon Web Services and evaluated in a six-month field demonstration. ISO New England (ISO-NE) and PJM streamed data to the platform using AWS Direct Connect and a site-to-site VPN, respectively. The resulting multi-utility measurement footprint enabled regional source localization across major portions of the U.S. Eastern Interconnection and supported routine identification of oscillation events. During the final three months of the trial, 24 events above 2 MW/MVAR were detected. The largest detected oscillation approached a 25 MW peak-to-peak amplitude, and the longest persisted intermittently for more than 11 hours. The demonstration also assessed operational considerations—including data transfer volumes, end-to-end latency, and cloud computing costs—and found that network and compute requirements were modest relative to typical cloud capabilities while providing performance comparable to prior on-premises deployments. Overall, the results indicate that cloud hosting can provide a practical path to shared interconnection-wide oscillation monitoring. The cloud ESAMS demonstration establishes a foundation for broader utility participation and for building future wide-area analytics that leverage measurements across organizational boundaries.

Follum, James D.↗

NASA NTRS2001

Modelling Greenland Outlet Glaciers

The objective of this project was to develop simple yet realistic models of Greenland outlet glaciers to better understand ongoing changes and to identify possible causes for these changes. Several approaches can be taken to evaluate the interaction between climate forcing and ice dynamics, and the consequent ice-sheet response, which may involve changes in flow style. To evaluate the icesheet response to mass-balance forcing, Van der Veen (Journal of Geophysical Research, in press) makes the assumption that this response can be considered a perturbation on the reference state and may be evaluated separately from how this reference state evolves over time. Mass-balance forcing has an immediate effect on the ice sheet. Initially, the rate of thickness change as compared to the reference state equals the perturbation in snowfall or ablation. If the forcing persists, the ice sheet responds dynamically, adjusting the rate at which ice is evacuated from the interior to the margins, to achieve a new equilibrium. For large ice sheets, this dynamic adjustment may last for thousands of years, with the magnitude of change decreasing steadily over time as a new equilibrium is approached. This response can be described using kinematic wave theory. This theory, modified to pertain to Greenland drainage basins, was used to evaluate possible ice-sheet responses to perturbations in surface mass balance. The reference state is defined based on measurements along the central flowline of Petermann Glacier in north-west Greenland, and perturbations on this state considered. The advantage of this approach is that the particulars of the dynamical flow regime need not be explicitly known but are incorporated through the parameterization of the reference ice flux or longitudinal velocity profile. The results of the kinematic wave model indicate that significant rates of thickness change can occur immediately after the prescribed change in surface mass balance but adjustments in flow rapidly diminish these rates to a few cm/yr at most. The time scale for adjustment is of the order of a thousand years or so.

vanderVeen, Cornelis↗

NASA NTRSDate not supplied

Pretest Simulations of a Supersonic Mixing and Combustion Validation Experiment to Assess Sensitivities

The reliance on CFD simulations to develop, design, and optimize scramjet systems (or components) has become commonplace. This reliance inevitably hinges on the ability of the computational analyst to quantify the level of confidence in their computational results. Unfortunately, nearly all the measured data available for this assessment comes from antiquated experimental datasets, or from tests that focused on the extraction of scramjet system (or component) performance. The objective of a CFD validation experiment is to quantify the predictive accuracy of one or more of the CFD physics submodels, implying that other uncertainties related to replicating the facility flow environment (e.g., knowledge of boundary conditions) must be minimized to the extent possible. This inevitably places stringent requirements on the quality and quantity of measurements taken to accurately specify inflow, outflow, and surface conditions for the CFD simulations; in addition to the measurements taken for the validation of physics submodels. This places additional demands on the experimental process above and beyond those for test article performance assessment. A recent high speed code credibility workshop series sponsored by AFRL identified a gap in existing validation data for fundamental assessments of turbulent mixing and combustion CFD closure models at scramjet engine relevant conditions. To address this gap, engineers at AFRL have designed a coaxial jet flame configuration that will be tested at two facilities (Research Cell 19 at the Air Force Research Lab, and at Purdue University). The effort described here documents pretest simulations of this validation experiment with the goal of fleshing out the extent of the facility flowpath that must be included to adequately reproduce the facility test section flow environment. The findings indicate that the flow around the support structure for the fuel injection centerbody upstream of the facility nozzle generates disturbances that persist throughout the nozzle expansion process; corrupting the azimuthal symmetry that was desired in the fuel/air mixing region of the test section. Simulations without this support structure maintained a high degree of azimuthal symmetry up until the fuel injection plane. However, even in this scenario the azimuthal symmetry was not maintained once the centerbody boundary layer transitioned to a wake flow downstream of the fuel injection plane.

CFD↗

NASA NTRSDate not supplied

Pretest Simulations of a Supersonic Mixing and Combustion Validation Experiment to Assess Sensitivities

CFD↗

NASA NTRS2021

Grand Teton Ecological Forecasting: Assessing Forage Change and Winter Habitat Availability for Bighorn Sheep that Employ a High-Elevation Overwintering Strategy to Identify Areas for Intervention

Grand Teton National Park provides habitat for a small native population of approximately 125 bighorn sheep (Ovis canadensis). The reduction in population of this species is attributed to loss of low elevation habitat, changing local environmental and climatic conditions, and increased disturbance from backcountry recreation. In response to these changes, this population of sheep employs a unique high-elevation wintering strategy in which they amass large fat stores in the summer and expend as little energy as possible in the winter while foraging on high elevation wind-swept and snow-free areas. For this project, DEVELOP partnered with Grand Teton National Park and used NASA Earth observations including Landsat 8 Operational Land Imager (OLI), Landsat 7 Enhanced Thematic Mapper Plus (ETM+), Landsat 5 Thematic Mapper (TM), and Terra Moderate Resolution Imaging Spectroradiometer (MODIS) snow cover data to assess habitat suitability. Landcover change analyzed between 1987 and 2020 indicated shifting trends in grass and forb cover and tree cover. These trends persisted in the 2031 prediction, with grass cover decreasing and tree cover increasing, which translates to a loss of overall favorable habitat for bighorn sheep. Snow cover analyzed between 2001 and 2020 indicated similar unfavorable trends for the sheep with a decrease in barren areas, important for winter foraging. Finally, habitat suitability was modeled for 2020 and predicted to 2031 to determine habitat gains and losses for this species across the landscape. Overall, the results predicted decreases in suitable habitat and indicated that while these sheep are highly adaptable, strategies to manage suitable bighorn habitat may need to be employed rapidly to effectively conserve this species.

Remote sensing↗

DOE OSTI2026

Distribution System Congestion Management - A Survey of Reliable Integration for Aggregated Resources and Microgrids

Rising penetration of consumer-owned Distribution Grid Resources (DGRs), increasingly managed by third party aggregators and enrolled in grid services and wholesale market programs, can create localized congestion in distribution networks. Managing these constraints is challenging due to a persistent coordination and information gap: utilities are accountable for reliability and have network topology and state visibility, while aggregators control the DGR capability needed to relieve congestion. This survey synthesizes congestion management solutions for distribution systems with high DGR penetration, covering both market-based mechanisms (distribution level markets, locational pricing, flexibility auctions) and non-market-based solutions (network reconfiguration, direct DGR control, demand response, curtailment, etc.). The literature is organized across three decision horizons: long term planning, operational planning, and real-time operation. Special attention is devoted to emerging distribution system operator architectures and coordination frameworks spanning transmission system operators, aggregators, and microgrids. Drawing on recent case studies and implementations, we distill best practices, identify key technical and economic barriers, and outline research directions. The evidence points to a shift toward integrated congestion management that combines market signals with technical controls, enabled by improved monitoring, forecasting, and closed loop control capabilities.

Active Distribution Networks (ADN)↗

DOE OSTI2023

Applying the core-satellite species concept: Characteristics of rare and common riverine dissolved organic matter

Introduction: Dissolved organic matter (DOM) composition varies over space and time, with a multitude of factors driving the presence or absence of each compound found in the complex DOM mixture. Compounds ubiquitously present across a wide range of river systems (hereafter termed core compounds) may differ in chemical composition and reactivity from compounds present in only a few settings (hereafter termed satellite compounds). Here, we investigated the spatial patterns in DOM molecular formulae presence (occupancy) in surface water and sediments across 97 river corridors at a continental scale using the “Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems—WHONDRS” research consortium. Methods: We used a novel data-driven approach to identify core and satellite compounds and compared their molecular properties identified with Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Results: In this work, we found that core compounds clustered around intermediate hydrogen/carbon and oxygen/carbon ratios across both sediment and surface water samples, whereas the satellite compounds varied widely in their elemental composition. Within surface water samples, core compounds were dominated by lignin-like formulae, whereas protein-like formulae dominated the core pool in sediment samples. In contrast, satellite molecular formulae were more evenly distributed between compound classes in both sediment and water molecules. Core compounds found in both sediment and water exhibited lower molecular mass, lower oxidation state, and a higher degree of aromaticity, and were inferred to be more persistent than global satellite compounds. Higher putative biochemical transformations were found in core than satellite compounds, suggesting that the core pool was more processed. Discussion: The observed differences in chemical properties of core and satellite compounds point to potential differences in their sources and contribution to DOM processing in river corridors. Overall, our work points to the potential of data-driven approaches separating rare and common compounds to reduce some of the complexity inherent in studying riverine DOM.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Checkerboard patterns in E3SMv2 and E3SM-MMFv2

Abstract. An unphysical checkerboard pattern is identified in E3SMv2 and E3SM-MMF that is detectable across a wide range of timescales, from instantaneous snapshots to multi-year averages. A detection method is developed to quantify characteristics of the checkerboard signal by cataloguing all possible configurations of the eight adjacent neighbors for each cell on the model's cubed sphere grid using daily mean data. The checkerboard pattern is only found in cloud-related quantities, such as precipitation and liquid water path. Instances of pure and partial checkerboard are found to occur more often in E3SMv2 and E3SM-MMF when compared to satellite data regridded to the model grid. Continuous periods of partial checkerboard state are found to be more persistent in both models compared to satellite data, with E3SM-MMF exhibiting more persistence than E3SMv2. The checkerboard signal in E3SMv2 is found to be a direct consequence of the recently added deep convective trigger condition based on dynamically generated CAPE (DCAPE). In E3SM-MMF the checkerboard signal is found to be associated with the “trapping” of cloud-scale fluctuations within the embedded cloud-resolving model. Solutions to remedy this issue are discussed.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2022

Checkerboard Patterns in E3SMv2 and E3SM-MMFv2

An unphysical checkerboard pattern is identified in E3SMv2 and E3SM-MMF that is detectable across a wide range of timescales, from instantaneous snapshots to multi-year averages. A detection method is developed to quantify characteristics of the checkerboard signal by cataloguing all possible configurations of the eight adjacent neighbors for each cell on the model's cubed sphere grid using daily mean data. The checkerboard pattern is only found in cloud-related quantities, such as precipitation and liquid water path. Instances of pure and partial checkerboard are found to occur more often in E3SMv2 and E3SM-MMF when compared to satellite data regridded to the model grid. Continuous periods of partial checkerboard state are found to be more persistent in both models compared to satellite data, with E3SM-MMF exhibiting more persistence than E3SMv2. The checkerboard signal in E3SMv2 is found to be a direct consequence of the recently added deep convective trigger condition based on dynamically generated CAPE (DCAPE). In E3SM-MMF the checkerboard signal is found to be associated with the “trapping” of cloud-scale fluctuations within the embedded cloud-resolving model. Solutions to remedy this issue are discussed.

E3SMv2↗

DOE OSTI2021

Late-time dark matter oscillations and the core-cusp problem

The core-cusp problem persists as an unresolved tension between the pre- dictions of ΛCDM cosmology and observations of dark matter (DM) profiles in dwarf spheroidal and other galaxies. We present a novel scenario for converting cusps into cores through reactivation of DM annihilation in galaxies at late times. This can happen in asymmetric DM models when there is a very small DM-number violating mass term that causes oscillations between DM and its antiparticle. Using analytic methods as well as gravitational N-body simulations, we show that this mechanism can robustly eliminate cusps from galactic DM profiles for light fermionic DM of mass $m_χ$ ~ (0.1 – 1) GeV and a lighter mediator into which the DM can annihilate. We identify regions of parameter space where annihilation of DM particles is more efficient than elastic scattering at reducing the inner density of the DM profile. Dark matter annihilation is therefore a qualitatively distinct alternative to the mechanism of elastic self-interacting dark matter for addressing the cusp-core problem.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2013

Quality of Life and Toxicity From Passively Scattered and Spot-Scanning Proton Beam Therapy for Localized Prostate Cancer

Purpose: To report quality of life (QOL)/toxicity in men treated with proton beam therapy for localized prostate cancer and to compare outcomes between passively scattered proton therapy (PSPT) and spot-scanning proton therapy (SSPT). Methods and Materials: Men with localized prostate cancer enrolled on a prospective QOL protocol with a minimum of 2 years' follow-up were reviewed. Comparative groups were defined by technique (PSPT vs SSPT). Patients completed Expanded Prostate Cancer Index Composite questionnaires at baseline and every 3-6 months after proton beam therapy. Clinically meaningful differences in QOL were defined as ≥0.5 × baseline standard deviation. The cumulative incidence of modified Radiation Therapy Oncology Group grade ≥2 gastrointestinal (GI) or genitourinary (GU) toxicity and argon plasma coagulation were determined by the Kaplan-Meier method. Results: A total of 226 men received PSPT, and 65 received SSPT. Both PSPT and SSPT resulted in statistically significant changes in sexual, urinary, and bowel Expanded Prostate Cancer Index Composite summary scores. Only bowel summary, function, and bother resulted in clinically meaningful decrements beyond treatment completion. The decrement in bowel QOL persisted through 24-month follow-up. Cumulative grade ≥2 GU and GI toxicity at 24 months were 13.4% and 9.6%, respectively. There was 1 grade 3 GI toxicity (PSPT group) and no other grade ≥3 GI or GU toxicity. Argon plasma coagulation application was infrequent (PSPT 4.4% vs SSPT 1.5%; P=.21). No statistically significant differences were appreciated between PSPT and SSPT regarding toxicity or QOL. Conclusion: Both PSPT and SSPT confer low rates of grade ≥2 GI or GU toxicity, with preservation of meaningful sexual and urinary QOL at 24 months. A modest, yet clinically meaningful, decrement in bowel QOL was seen throughout follow-up. No toxicity or QOL differences between PSPT and SSPT were identified. Long-term comparative results in a larger patient cohort are warranted.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2011

Infrared Signatures to Discriminate Viability of Autoclaved Bacillus Spores

Optical methods can offer good sensitivity for detecting small amounts of chemicals and biologicals, and as these methods mature, are some of the few techniques that can offer true standoff detection. For detection of biological species, determining the viability is clearly important: Certain species of gram-positive bacteria are capable of forming endospores, specialized structures that arise when living conditions become unfavorable or little growth medium is available, being resistant to many chemicals as well as changes in heat or pH. Such spores can remain dormant from months to years until more favorable conditions arise, resulting in germination back to the vegetative state. This persistence characteristic of bacterial spores allows for contamination of a surface (e.g. food or medical equipment) even after the surface has been nominally cleaned. Bacterial spores have also been used as biological weapons, as in the case with B. anthracis. Thus, rapid analysis to determine a spore's viability in a given environment or after attempts to sterilize a given environment is crucial. The increasing availability of portable spectrometers may provide a key to such rapid onsite analysis. The present study was designed to determine whether infrared spectroscopy may be used to differentiate between viable vs. dead B. subtilis and B. atrophaeus spores. Preliminary results show that the reproducible differences in the IR signatures can be used to identify viable vs. autoclaved (dead) B. subtilis and B. atrophaeus bacterial spores.

Schneider, Matthew D↗

DOE OSTI2013

Monitoring Uranium Transformations Determined by the Evolution of Biogeochemical Processes

Our contribution to the larger project (ANL) was the phylogenetic analysis of evolved communities capable of reducing metals including uranium. We previously reported structural shifts in microbial communities of microcosms constructed with inocula from uranium-contaminated sediment from the Field Research Center (FRC). Incubations were for up to eleven months and samples were taken from both the top and bottom of the sediment of duplicate microcosms incubated at room temperature anaerobically. The biological indices of the microcosm bacterial communities revealed that under strong selective force (e.g., sulfate and uranium) some populations became dominant and the community diversity appeared reduced. With the reduction of U(VI), bacterial community diversity appeared to recovere to its T0 level. Our clone library results revealed that some bacterial populations were persistent in the microcosms during the 11 month incubation period, while others became more abundant or less detectable in response to the prevailing environmental factors. According to the Ribosomal Database Project’s (RDP) Classifier tool, beta-Proteobacteria and Acidobacteria (e.g., Gp8) were highly abundant in the microcosms throughout the incubation period, whereas Desulfovibrio, a known sulfate-reducing Genus within which uranium reducing capabilities also reside, was substantially more abundant at early sampling times when sulfate and uranium were abundant, compared to at the end of the incubation period (11 months). We speculate that the decrease in abundance of Desulfovibrio with time was caused by consumption of sulfate and uranium during early stages of incubation. Interestingly, groups identified by the RDP as unclassified bacteria and unclassified Desulfobacteraceae responded to the selective forces differently. These two groups appeared to be more robust at the end of the incubation period when the strong initial selective force of sulfate and uranium was absent or diminished. The statistical community comparison with UniFrac indicated that early and late stage samples were evolved from the original inoculum. The RDP library comparison tool revealed that bacterial community populations shifted at statistically significant amounts according to time and space. For example, as mentioned above, early stage Desulfovibrio and Desulfobacteraceae abundances were significantly different from those where found at late incubation stage (P=0.01). Similarly, iron-oxidizing bacterium Thiobacillus was significantly more abundant at late sampling times. These results, combined with data from our colleagues were submitted to and accepted for publication in Environmental Science & Technology.

58 GEOSCIENCES↗

NASA NTRS2008

Understanding Black Hole X-ray Binaries: The Case of Cygnus X-1

Black Hole X-ray Binaries are known to display distinct emission states that differ in their X-ray spectra, their X-ray timing properties (on times scales less than 1 s) and their radio emission. In recent years monitoring observations, specially with NASA's Rossi X-ray Timing Explorer (RXTE), have provided us with detailed empirical modeling of the phenomenology of the different states as well as a unification scheme of the long term evolution of black holes, transient and persistent, in terms of these states. Observations of the persistent High Mass X-ray Binary (HMXB) Cygnus X-l have been at the forefront of learning about black hole states since its optical identification through a state transition in 1973. In this talk I will present in depth studies of several different aspects of the accretion process in this system. The main data base for these studies is an ongoing RXTE and Ryle radio telescope bi-weekly monitoring campaign that started in 1997. I will discuss high-resolution timing results, especially power spectra, which first gave rise to the Lorentzian description now widely used for black hole and neutron star binaries, and time lags, which we found to be especially well suited to identify state transitions. The evolution of spectral, timing, and radio parameters over years will be shown, including the rms-flux relation and the observation of a clearly correlated radio/x-ray flare. We also observed Cygnus X-1 with INTEGRAL, which allowed us to extend timing and spectral studies to higher energies, with XMM, which provided strong constraints on the parameters of the 6.4 keV iron fluorescence line, and with Chandra, which provided the most in depth study to date of the stellar wind in this system. Models based on the physical conditions in the accretion region are still mainly concentrated on the one or other of the observational areas but they are expanding: as an example I will review results from a jet model for the quantitative description of the radio through X-ray spectra. I will conclude with an outlook on a truly multi-instrument observing campaign of Cygnus X-1 that was performed in 2008 April in order to better constrain the jet models mentioned above (and provide a unique data set for cross-calibration).

Pottschmidt, Katja↗

DOE OSTI2025

Stable Symmetry-Protected Topological Phases in Systems with Heralded Noise

Here, we present a family of local quantum channels whose steady-states exhibit stable mixed-state symmetry-protected topological (SPT) order. Motivated by recent experimental progress on "erasure conversion" techniques that allow one to identify ($\textit{herald}$) decoherence processes, we consider open systems with biased erasure noise, which leads to strongly symmetric heralded errors. We utilize this heralding to construct a local correction protocol that effectively confines errors into short-ranged pairs in the steady-state. Using a combination of numerical simulations and mean-field analysis, we show that our protocol stabilizes SPT order against a sufficiently low rate of decoherence. As the rate of heralded noise increases, SPT order is eventually lost through a directed percolation transition. We further find that while introducing unheralded errors destroys SPT order in the limit of long length- and time-scales, the correction protocol is sufficient for ensuring that local SPT order persists, with a correlation length that diverges as $\xi \sim (1-f_e)^{-1/2}$, where $f_e$ is the fraction of errors that are heralded.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Unifying soil organic matter formation and persistence frameworks: the MEMS model

Soil organic matter (SOM) dynamics in ecosystem-scale biogeochemical models have traditionally been simulated as immeasurable fluxes between conceptually defined pools. This greatly limits how empirical data can be used to improve model performance and reduce the uncertainty associated with their predictions of carbon (C) cycling. Recent advances in our understanding of the biogeochemical processes that govern SOM formation and persistence demand a new mathematical model with a structure built around key mechanisms and biogeochemically relevant pools. Here, we present one approach that aims to address this need. Our new model (MEMS v1.0) is developed from the Microbial Efficiency-Matrix Stabilization framework, which emphasizes the importance of linking the chemistry of organic matter inputs with efficiency of microbial processing and ultimately with the soil mineral matrix, when studying SOM formation and stabilization. Building on this framework, MEMS v1.0 is also capable of simulating the concept of C saturation and represents decomposition processes and mechanisms of physico-chemical stabilization to define SOM formation into four primary fractions. After describing the model in detail, we optimize four key parameters identified through a variance-based sensitivity analysis. Optimization employed soil fractionation data from 154 sites with diverse environmental conditions, directly equating mineral-associated organic matter and particulate organic matter fractions with corresponding model pools. Finally, model performance was evaluated using total topsoil (0–20 cm) C data from 8192 forest and grassland sites across Europe. Despite the relative simplicity of the model, it was able to accurately capture general trends in soil C stocks across extensive gradients of temperature, precipitation, annual C inputs and soil texture. The novel approach that MEMS v1.0 takes to simulate SOM dynamics has the potential to improve our forecasts of how soils respond to management and environmental perturbation. Ensuring these forecasts are accurate is key to effectively informing policy that can address the sustainability of ecosystem services and help mitigate climate change.

54 ENVIRONMENTAL SCIENCES↗