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At least 451 records · Page 25

Nasa Space Flight Instruments: Cost Time Trends

Are NASA’s space flight instruments becoming cheaper or more expensive as time marches forward? After analyzing the costs of hundreds of instruments launched over the last 30 years, the short answer to this question is no… and yes. This paper gives a visual analysis of the cost time trends for various NASA space flight instrument types, such as optical, particles detectors, fields detectors and microwave instruments. In addition to the statistical approaches utilized, such as significance tests, cluster analysis and principle components analysis (PCA), we will also discuss the intangibles which are likely at play, including technological progress, NASA policy and the luck of the draw associated with mission manifests. This analysis was performed as the main driver for the NASA Instrument Cost Model (NICM) recent cost estimating model redesign. Started in 2004, the first version of NICM was based off of instruments launched from 1985-2005, or 20 years’ worth of data. As NICM hit its 10-year anniversary, we wanted to know: should NICM continue to only use the most recent 20 years’ worth of data (1995-2015)? Are instruments becoming cheaper or more expensive as time marches forward? There is evidence in favor of a drop in the median dollar-per-kg value across some instrument types, but little in others. Whereas further research is needed to substantiate, Particles and Optical-Planetary instrument types show moderate to strong evidence of a downward trend in dollar-per-kg. Further research is required to study the nature of this trend (shift, taper, cyclic, etc.). Little evidence for a similar downward trend was detected for Fields or Microwave instruments, or Optical instruments on Earth Orbiting spacecraft. We presented evidence in favor of a drop in the median dollar-per-kg value for Particles and Optical-Planetary instrument types. While similar evidence was weak at best for Fields and Microwave instruments. We can speculate as to the causes for this effect, but we are also equipped to begin to rule out, or at least prioritize, some of the suspected drivers. We observed, for Particles and Optical-Planetary instruments, that perhaps a launch manifest effect was playing part of the role in the observed decrease in dollar-per-kg over the years, noting that the more flagship class missions, which have more money to spend on their instruments, were seen in the earlier years in our data, versus the later years which were dominated by less expensive class missions. However, if this were a dominating driver, would we not have seen the downward trend in the Fields and Microwave instruments as well, which were drawn from that same launch manifest? The fact that we did not observe this helps us rule out the launch manifest effect, and other drivers, such as advances in technology, that seem to be more likely suspects. In that case, however, why would technology advances be helping the Particles and Optical-Planetary instruments only? Why would it not be impacting Optical-Earth Orbiting instruments? Further suspects were looked at as well and ruled out, such as the “Faster, Better, Cheaper”era of NASA development which did not seem to actually impact trends by instrument type on a dollar-perkg scale. VI. Future Work A. Time Series Detailed Statistical Assessment The analysis discussed above sets the foundation for a more rigorous time series analysis of the data. Time series analysis will further explore evidence to-date of time trends for the instrument types which showed the strongest indicators for a decrease in dollar-per-kg: Optical (Planetary) and Particles instruments. More than providing evidence and top-level significance tests, time series analysis would help elucidate what kind of trend that exists in the data, their significance and allow statistically based forecasting (see Figure 10)

Mrozinksi, Joseph↗

Development and Evaluation of Ensemble Consensus Precipitation Estimates over High Mountain Asia

Precipitation estimates are highly uncertain in complex regions such as High-Mountain Asia (HMA), where ground measurements are very difficult to obtain, and atmospheric dynamics poorly understood. Though gridded products derived from satellite-based observations and/or reanalysis can provide temporally and spatially distributed estimates of precipitation, there are significant inconsistencies in these products. As such, to date, there is little agreement in the community on the best and most accurate gridded precipitation product in HMA, which is likely area dependent because of HMA’s strong heterogeneities and complex orography. Targeting these gaps, this article presents the development of a consensus ensemble precipitation product using three gridded precipitation datasets (the Integrated Multi-satellitE Retrieals for Global Precipitation Measurement IMERG, the Climate Hazards group Infrared Precipitation with Stations CHIRPS, and the ECMWF Reanalysis ERA5) with a localized probability matched mean (LPM) approach. We evaluate the performance of the LPM estimate along with a simple ensemble mean (EM) estimate to overcome the differences and disparities of the three selected constituent products on long-term averages and trends in HMA. Our analysis demonstrates that LPM reduces the high biases embedded in the ensemble members and provides more realistic spatial patterns compared to EM. LPM is also a good alternative for merging data products with different spatio-temporal resolutions. By filtering disparities among the individual ensemble members, LPM overcomes the problem of a certain product performing well only in a particular area and provides a consensus estimate with plausible temporal trends.

Fadji Z Maina↗

The Darkening of the Greenland Ice Sheet: Trends, Drivers and Projections (1981-2100)

The surface energy balance and meltwater production of the Greenland ice sheet (GrIS) are modulated by snow and ice albedo through the amount of absorbed solar radiation. Here we show, using space-borne multispectral data collected during the 3 decades from 1981 to 2012, that summertime surface albedo over the GrIS decreased at a statistically significant (99 %) rate of 0.02 decade(sup -1) between 1996 and 2012. Over the same period, albedo modelled by the Modele Atmospherique Regionale (MAR) also shows a decrease, though at a lower rate (approximately -0.01 decade(sup -1)) than that obtained from space-borne data. We suggest that the discrepancy between modelled and measured albedo trends can be explained by the absence in the model of processes associated with the presence of light-absorbing impurities. The negative trend in observed albedo is confined to the regions of the GrIS that undergo melting in summer, with the dry snow zone showing no trend. The period 1981-1996 also showed no statistically significant trend over the whole GrIS. Analysis of MAR outputs indicates that the observed albedo decrease is attributable to the combined effects of increased near-surface air temperatures, which enhanced melt and promoted growth in snow grain size and the expansion of bare ice areas, and to trends in light-absorbing impurities (LAI) on the snow and ice surfaces. Neither aerosol models nor in situ and remote sensing observations indicate increasing trends in LAI in the atmosphere over Greenland. Similarly, an analysis of the number of fires and BC emissions from fires points to the absence of trends for such quantities. This suggests that the apparent increase of LAI in snow and ice might be related to the exposure of a "dark band" of dirty ice and to increased consolidation of LAI at the surface with melt, not to increased aerosol deposition. Albedo projections through to the end of the century under different warming scenarios consistently point to continued darkening, with albedo anomalies averaged over the whole ice sheet lower by 0.08 in 2100 than in 2000, driven solely by a warming climate. Future darkening is likely underestimated because of known underestimates in modelled melting (as seen in hindcasts) and because the model albedo scheme does not currently include the effects of LAI, which have a positive feedback on albedo decline through increased melting, grain growth, and darkening.

surface energy↗

Relative Contribution of Greenhouse Gases and Ozone Change to Temperature Trends in the Stratosphere: A Chemistry/Climate Model Study

Long-term changes in greenhouse gases, primarily carbon dioxide, are expected to lead to a warming of the troposphere and a cooling of the stratosphere. We examine the cooling of the stratosphere and compare the contributions greenhouse gases and ozone change for the decades between 1980 and 2000. We use 150 years of simulation done with our coupled chemistry/climate model (GEOS 4 GCM with GSFC CTM chemistry) to calculate temperatures and constituents fiom,1950 through 2100. The contributions of greenhouse gases and ozone to temperature change are separated by a time-series analysis using a linear trend term throughout the period to represent the effects of greenhouse gases and an equivalent effective stratospheric chlorine (EESC) term to represent the effects of ozone change. The temperature changes over the 150 years of the simulation are dominated by the changes in greenhouse gases. Over the relatively short period (approx. 20 years) of ozone decline between 1980 and 2000 changes in ozone are competitive with changes in greenhouse gases. The changes in temperature induced by the ozone change are comparable to, but smaller than, those of greenhouse gases in the upper stratosphere (1-3 hPa) at mid latitudes. The ozone term dominates the temperature change near both poles with a negative temperature change below about 3-5 hPa and a positive change above. At mid latitudes in the upper stratosphere and mesosphere (above about 1 hPa) and in the middle stratosphere (3 to 70 ma), the greenhouse has term dominates. From about 70 hPa down to the tropopause at mid latitudes, cooling due to ozone changes is the largest influence on temperature. Over the 150 years of the simulation, the change in greenhouse gases is the most important contributor to temperature change. Ozone caused a perturbation that is expected to reverse over the coming decades. We show a model simulation of the expected temperature change over the next two decades (2006-2026). The simulation shows a crossover between lower atmospheric heating and upper atmospheric cooling that is located at about 90 hPa in the tropics and 30-40 hPa in the polar regions. This results from the combination of continuing increases in greehouse gases and recovery from ozone depletion.

Stolarski, Richard S.↗

Long-term trends in storm surge climate derived from an ensemble of global surge reconstructions

We address the challenge, due to sparse observational records, of investigating long-term changes in the storm surge climate globally. We use two centennial and three satellite-era daily storm surge time series from the Global Storm Surge Reconstructions (GSSR) database and assess trends in the magnitude and frequency of extreme storm surge events at 320 tide gauges across the globe from 1930, 1950, and 1980 to present. Before calculating trends, we perform change point analysis to identify and remove data where inhomogeneities in atmospheric reanalysis products could lead to spurious trends in the storm surge data. Even after removing unreliable data, the database still extends existing storm surge records by several decades for most of the tide gauges. Storm surges derived from the centennial 20CR and ERA-20C atmospheric reanalyses show consistently significant positive trends along the southern North Sea and the Kattegat Bay regions during the periods from 1930 and 1950 onwards and negative trends since 1980 period. When comparing all five storm surge reconstructions and observations for the overlapping 1980–2010 period we find overall good agreement, but distinct differences along some coastlines, such as the Bay of Biscay and Australia. We also assess changes in the frequency of extreme surges and find that the number of annual exceedances above the 95th percentile has increased since 1930 and 1950 in several regions such as Western Europe, Kattegat Bay, and the US East Coast.

59 BASIC BIOLOGICAL SCIENCES↗

Systematic data interpretation of remote sensing in the reception of hydrocarbons, volume 1

The utilization of MSS-LANDSAT and RADAR imagery in the definition of morphostructural anomalies, which are indicative of hydrocarbon entrapment sites in the limit of the Middle and Lower Amazons basins was systemized. The identification and classification of the morphostructural anomalies were accomplished by means of the drainage network interpretation, based on the criteria previously proposed. Thirty anomalies were recognized, being subdivided into twenty domes, two fault controlled domes, six structural depressions, one fault controlled structural depression and one structure developed on a tilted fault block. Many anomalies are not randomly located. Rather, they seem to be aligned according to directions ENE and NNW, suggesting the presence of morphstructural trends in this part of the Amazons Basin. Significant orientations of lineaments were determined through statistical analysis, which defined many regional trends. The directions coincide with morphostructural trends orientations and with the directions of important structures in the Precambrian basement.

Demiranda, F. P.↗

Displacement Analysis of Geothermal Field Based on PSInSAR And SOM Clustering Algorithms A Case Study of Brady Field, Nevada—USA

The availability of free and high temporal resolution satellite data and advanced SAR techniques allows us to analyze ground displacement cost-effectively. Our aim was to properly define subsidence and uplift areas to delineate a geothermal field and perform time-series analysis to identify temporal trends. A Persistent Scatterer Interferometry (PSI) algorithm was used to estimate vertical displacement in the Brady geothermal field located in Nevada by analyzing 70 Sentinel-1A Synthetic-Aperture Radar (SAR) images, between January 2017 and December 2019. To classify zones affected by displacement, an unsupervised Self-Organizing Map (SOM) algorithm was applied to classify points based on their behavior in time, and those clusters were used to determine subsidence, uplift, and stable regions automatically. Finally, time-series analysis was applied to the clustered data to understand the inflection dates. The maximum subsidence is –19 mm/yr with an average value of –6 mm/yr within the geothermal field. The maximum uplift is 14 mm/yr with an average value of 4 mm/yr within the geothermal field. The uplift occurred on the NE of the field, where the injection wells are located. On the other hand, subsidence is concentrated on the SW of the field where the production wells are located. The coupling of the PSInSAR and the SOM algorithms was shown to be effective in analyzing the direction and pattern of the displacements observed in the field.

54 ENVIRONMENTAL SCIENCES↗

Venus global radar reflectivity and correlations with elevation

A geological analysis of the global radar reflectivity data for Venus is presented. The statistical and map pattern distribution of the radar reflectivity rho is first analyzed in the context of the porosity structure of the surface. Rho is then correlated with elevation in order to examine the degree of topographic control on material properties which could depend on PT-sensitive chemical weathering phenomena. Comparison of the rms slope alpha and rho correlations with elevation demonstrates that there are distinct topographic zones defined on the basis of the rho and alpha trends. Finally, hierarchical clustering analysis is applied to the global rho, alpha, and 100-km baseline regional slope data sets in order to define radar property-related subregions.

Garvin, J. B.↗

Results and Analysis from Space Suit Joint Torque Testing

A space suit's mobility is critical to an astronaut's ability to perform work efficiently. As mobility increases, the astronaut can perform tasks for longer durations with less fatigue. Mobility can be broken down into two parts: range of motion (ROM) and torque. These two measurements describe how the suit moves and how much force it takes to move. Two methods were chosen to define mobility requirements for the Constellation Space Suit Element (CSSE). One method focuses on range of motion and the second method centers on joint torque. A joint torque test was conducted to determine a baseline for current advanced space suit joint torques. This test utilized the following space suits: Extravehicular Mobility Unit (EMU), Advanced Crew Escape Suit (ACES), I-Suit, D-Suit, Enhanced Mobility (EM)- ACES, and Mark III (MK-III). Data was collected data from 16 different joint movements of each suit. The results were then reviewed and CSSE joint torque requirement values were selected. The focus of this paper is to discuss trends observed during data analysis.

Matty, Jennifer↗

Linear and nonlinear trending and prediction for AVHRR time series data

The variability of AVHRR calibration coefficient in time was analyzed using algorithms of linear and non-linear time series analysis. Specifically we have used the spline trend modeling, autoregressive process analysis, incremental neural network learning algorithm and redundancy functional testing. The analysis performed on available AVHRR data sets revealed that (1) the calibration data have nonlinear dependencies, (2) the calibration data depend strongly on the target temperature, (3) both calibration coefficients and the temperature time series can be modeled, in the first approximation, as autonomous dynamical systems, (4) the high frequency residuals of the analyzed data sets can be best modeled as an autoregressive process of the 10th degree. We have dealt with a nonlinear identification problem and the problem of noise filtering (data smoothing). The system identification and filtering are significant problems for AVHRR data sets. The algorithms outlined in this study can be used for the future EOS missions. Prediction and smoothing algorithms for time series of calibration data provide a functional characterization of the data. Those algorithms can be particularly useful when calibration data are incomplete or sparse.

Smid, J.↗

Early Spring in Europe: A Result of More Dominant North-Atlantic Southwesterlies?

Abstract A 1999 study reports an advancement of spring in Europe by 0.2 days per year in the 30 years since 1960. Our analysis indicates that this trend results directly from a change in the late-winter surface winds over the eastern North Atlantic: the southwesterly direction became more dominant, and the speed of these southwesterlies increased slightly. Splitting the 52-year NCEP reanalysis dataset into the First Half, FH (1948-1973)), and the Second Half, SH (1974-1999), we analyze the wind direction for the February mean at three sites at 45N: site A at 30W, site B at 20W, and site C at 10W. The incidence (number of years) of the southwesterlies in SH Vs. (FH) at these sites respectively increased in SH as follows: 24(18), 19(12), 14(l 1); whereas the incidence of northeasterlies decreased: 0(2), 1(2), and 1(6). When the February mean wind is southwesterly, the monthly mean sensible heat flux from the ocean at these sites takes zero or slightly negative values, that is, the surface air is warmer than the ocean. Analyzing the scenario in the warm late winter 1990, we observe that the sensible heat flux from the ocean surface in February 1990 shows a "tongue" of negative values extending southwest from southern England to 7N. This indicates that the source of the maritime air advected into Europe lies to the south of the "tongue." Streamline analysis suggests that the Southwestern or southcentral North Atlantic is the source. For February 1990, we find strong, ascending motions over Europe at 700 mb, up to -0.4 Pa/s as monthly averages. Associated with the unstable low-levels of the troposphere are positive rain and cloud anomalies. Thus, positive in situ feedback over land in late winter (when shortwave absorption is not significant) apparently further enhances the surface temperature through an increase in the greenhouse effect due to increased water vapor and cloudiness.

Otterman, J.↗

Spatial and Temporal Inter-Relationship between Anomalies and Trends of Temperature, Moisture, Cloud Cover and OLR as Observed by AIRS/AMSU on Aqua

AIRS/AMSU is the advanced IR/MW atmospheric sounding system launched on EOS Aqua in May 2002. Products derived from AIRS/AMSU by the AIRS Science Team include surface skin temperature and atmospheric temperature profiled; atmospheric humidity profiles, fractional cloud clover and cloud top pressure, and OLR. Products covering the period September 2002 through the present have been derived from AIRS/AMSU using the AIRS Science Team Version 5 retrieval algorithm. In this paper, we will show results covering the time period September 2006 - November 2008. This time period is marked by a substantial warming trend of Northern Hemisphere Extra-tropical land surface skin temperatures, as well as pronounced El Nino - La Nina episodes. These both influence the spatial and temporal anomaly patterns of atmospheric temperature and moisture profiles, as well as of cloud cover and Clear Sky and All Sky OLR. The relationships between temporal and spatial anomalies of these parameters over this time period, as determined from AIRS/AMSU observations, will be shown with particular emphasis on which contribute significantly to OLR anomalies in each of the tropics and extra-tropics. Results will also be shown to evaluate the anomalies and trends of temperature profiles and OLR as determined from analysis of AIRS/AMSU data. Global and regional trends during the 6 1/3 year time period are not necessarily indicative of what has happened in the past, or what may happen in the future. Nevertheless, the inter-relationships of spatial and temporal anomalies of atmospheric geophysical parameters with those of surface skin temperature are indicative of climate processes, and can be used to test the performance of climate models when driven by changes in surface temperatures.

Susskind, Joel↗

Spatial and Temporal Inter-Relationships between Anomalies and Trends of Temperature, Moisture, Cloud Cover, and OLR as Observed by AIRS/AMSU on Aqua

AIRS/AMSU is the advanced IR/MW atmospheric sounding system launched on EOS Aqua in May 2002. Products derived from AIRS/AMSU by the AIRS Science Team include surface skin temperature and atmospheric temperature profiles; atmospheric humidity profiles, fractional cloud cover and cloud top pressure, and OLR. Products covering the period September 2002 through the present have been derived from AIRS/AMSU using the AIRS Science Team Version 5 retrieval algorithm. In this paper, we will show results covering the time period September 2006 - November 2008. This time period is marked by a substantial warming trend of Northern Hemisphere Extratropical land surface skin temperatures, as well as pronounced El Nino - La Nina episodes. These both influence the spatial and temporal anomaly patterns of atmospheric temperature and moisture profiles, as well as of cloud cover and Clear sky and All Sky OLR. The relationships between temporal and spatial anomalies of these parameters over this time period, as determined from AIRS/AMSU observations, will be shown, with particular emphasis on which contribute significantly to OLR anomalies in each of the tropics and extra-tropics. Results will also be shown to validate the anomalies and trends of temperature profiles and OLR as determined from analysis of AIRS/AMSU data. Global and regional trends during the 6 1/3 year period are not necessarily indicative of what has happened in the past, or what may happen in the future. Nevertheless, the inter-relationships of spatial and temporal anomalies of atmospheric geophysical parameters with those of surface skin temperature are indicative of climate processes, and can be used to test the performance of climate models when driven by changes in surface temperatures.

Susskind, Joel↗

Supply Chain for Photovoltaics in the United States: 2024 in Review

Solar photovoltaic (PV) and battery energy storage system (BESS) technologies are two immediately available options for meeting U.S. electricity demands, which are increasing due to expansion of loads from end uses including data centers, buildings, vehicles, and factories. Globally, PV and BESS supply chains are dominated by products manufactured in China and elsewhere by Chinese companies. However, U.S. PV and BESS manufacturing have recently grown, with some capacity in each step of the PV supply chain, albeit not enough to currently meet demand with domestic manufacturing alone. This study analyzes U.S. PV supply chains and costs in 2024, for the crystalline silicon and cadmium telluride module supply chains. The full report additionally addresses the PV balance of system, inverter and BESS supply chains. The study concludes with an analysis of technology installation trends, government support for domestic manufacturing, manufacturing jobs, and the domestic content of PV systems installed in the United States in 2024.

14 SOLAR ENERGY↗

Analysis of Sample Acquisition Dynamics Using Discrete Element Method

The analysis presented in this paper is conducted in the framework of the Ocean Worlds Autonomy Testbed for Exploration Research and Simulation (OceanWATERS) project, currently under development at NASA Ames Research Center. OceanWATERS aims at designing a simulation environment which allows for testing autonomy of scientific lander missions to the icy moons of our solar system. Mainly focused on reproducing the end effector interaction with the inherent terrain, this paper introduces a novel discrete element method (DEM)-based approach to determine forces and torques acting on the lander’s scoop during the sample acquisition process. An accurate force feedback from the terrain on the scoop is required by fault-detection and autonomous decision-making algorithms to identify when the requested torque on the robotic arm’s joints exceeds the maximum available torque. Knowledge of the terrain force feedback significantly helps evaluating the arm’s links structural properties and properly selecting actuators for the joints. Models available in literature constitute a partial representation of the dynamics of the interaction. As an example, Balovnev derived an analytical expression of the vertical and horizontal force acting on a bucket while collecting a sample as a function of its geometry and velocity, soil parameters and reached depth. Although the model represents an adequate approximation of the two force components, it ignores the direction orthogonal to the scoop motion and neglects the torque. This work relies on DEM analysis to compensate for analytical models’ deficiencies and inaccuracies, i. e. provide force and torque 3D vectors, defined in the moving reference (body) frame attached to the scoop, at each instant of the sample collection process. Results from the first presented analysis relate to the specific OceanWATERS sampling strategy, which consists of collecting the sample through five consecutive passes with increasing depth, each pass following the same circularlinear- circular trajectory. Data is collected given a specific scoop design interacting with two types of bulk materials, which may characterize the surface of icy planetary bodies: snow and ice. Although specifically concerned with the OceanWATERS design, this first analysis provides the expected force trends for similar sampling strategies and allows to deduce phenomenological information about the general scooping process. In order to further instruct the community on the use of DEM tools as a solution to the sampling collection problem, two more analyses have been carried out, mainly focused on reducing the DEM computation time, which increases with a decrease in particle size. After running a set of identical simulations, where the only changing parameter is the size of the spherical particle, it is observed that the resulting force trajectories, starting from a given particle size, converge to the true trend. It is deducible that a further decrease in size yields negligible improvements in the accuracy, while it sensibly increases computation time. A final analysis aims at discussing limitations of approximating bulk material particles having a complex shape, e. g. ice fragments, with spheres, by comparing force trends resulting in the two cases for the same simulation scenario.

Catanoso, Damiana↗

Autonomous Nanoparticle Synthesis Guided by In Situ Multiscale Structural Characterization

Autonomous synthesis platforms promise rapid exploration of vast parameter spaces; yet, integrating in situ structural characterization in closed-loop synthesis optimization remains challenging. We demonstrate a realization of such a closed-loop platform coupled with a droplet-flow microreactor, in situ X-ray scattering methods (SAXS/WAXS), and Gaussian process optimization to synthesize citrate-reduced Au nanoparticles with targeted characteristics. The system efficiently explored ∼19,000 synthesis recipes through 365 experiments, achieving precise control over size (4–60 nm) and polydispersity (σ < 0.11) across large citrate/gold ratios, exceeding traditional synthesis boundaries (1–10). Beyond confirming classical Turkevich–Frens trends, partial-dependence analysis revealed strong nonlinear coupling among precursor, citrate, and pH effects. Combining quantitative SAXS/WAXS analysis with electron microscopy characterization, we uncovered that crystallite size (d c ) and particle size (d) follow d c = 0.18d + β, where synthesis chemistry controls the intercept β while maintaining a universal slope. This parallel-band structure enables independent tuning of crystallite domain size at fixed particle diameter through a combination of chloride, gold precursor, citrate, and pH contributions (cross-validated Spearman ρ = 0.7 ± 0.1). High-resolution electron microscopy shows multiple lattice-fringe orientations within single particles, directly confirming polycrystalline domains and the ability to tune d c at the fixed d. The platform’s validation includes indistinguishable static versus flowing measurements, stable droplet transport at 100 °C, and <5% run-to-run variation, establishing a robust framework for mapping and controlling multiscale nanoparticle structure across expansive chemical spaces. In conclusion, the developed closed-loop platform can be applied to a borad range of nanosyntheis processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

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↗

Changes in above- versus belowground biomass distribution in permafrost regions in response to climate warming

Permafrost regions contain approximately half of the carbon stored in land ecosystems and have warmed at least twice as much as any other biome. This warming has influenced vegetation activity, leading to changes in plant composition, physiology, and biomass storage in aboveground and belowground components, ultimately impacting ecosystem carbon balance. Yet, little is known about the causes and magnitude of long-term changes in the above- to belowground biomass ratio of plants (η). Here, in this study, we analyzed η values using 3,013 plots and 26,337 species-specific measurements across eight sites on the Tibetan Plateau from 1995 to 2021. Our analysis revealed distinct temporal trends in η for three vegetation types: a 17% increase in alpine wetlands, and a decrease of 26% and 48% in alpine meadows and alpine steppes, respectively. These trends were primarily driven by temperature-induced growth preferences rather than shifts in plant species composition. Our findings indicate that in wetter ecosystems, climate warming promotes aboveground plant growth, while in drier ecosystems, such as alpine meadows and alpine steppes, plants allocate more biomass belowground. Furthermore, we observed a threefold strengthening of the warming effect on η over the past 27 y. Soil moisture was found to modulate the sensitivity of η to soil temperature in alpine meadows and alpine steppes, but not in alpine wetlands. Our results contribute to a better understanding of the processes driving the response of biomass distribution to climate warming, which is crucial for predicting the future carbon trajectory of permafrost ecosystems and climate feedback.

54 ENVIRONMENTAL SCIENCES↗