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At least 109 records · Page 6

Microscopic and Macroscopic Characterization of Grain Boundary Energy and Strength in Silicon Carbide via Machine-Learning Techniques

Predicting the properties of grain boundaries poses a challenge because of the complex relationships between structural and chemical attributes both at the atomic and continuum scales. Grain boundary systems are typically characterized by parameters used to classify local atomic arrangements in order to extract features such as grain boundary energy or grain boundary strength. The present work utilizes a combination of high-throughput atomistic simulations, macroscopic and microscopic descriptors, and machine-learning techniques to characterize the energy and strength of silicon carbide grain boundaries. Additionally, a diverse data set of symmetric tilt and twist grain boundaries are described using macroscopic metrics such as misorientation, the alignment of critical low-index planes, and the Schmid factor, but also in terms of microscopic metrics, by quantifying the local atomic structure and chemistry at the interface. These descriptors are used to create random-forest regression models, allowing for their relative importance to the grain boundary energy and decohesion stress to be better understood. Results show that while the energetics of the grain boundary were best described using the microscopic descriptors, the ability of the macroscopic descriptors to reasonably predict grain boundaries with low energy suggests a link between the crystallographic orientation and the resultant atomic structure that forms at the grain boundary within this regime. For grain boundary strength, neither microscopic nor macroscopic descriptors were able to fully capture the response individually. However, when both descriptor sets were utilized, the decohesion stress of the grain boundary could be accurately predicted. These results highlight the importance of considering both macroscopic and microscopic factors when constructing constitutive models for grain boundary systems, which has significant implications for both understanding the fundamental mechanisms at work and the ability to bridge length scales.

36 MATERIALS SCIENCE↗

Parameterizing Spectral Surface Reflectance Relationships for the Dark Target Aerosol Algorithm Applied to A Geostationary Imager

Originally developed for the Moderate Resolution Imaging Spectroradiometer (MODIS) in polar, sun-synchronous low-earth orbit (LEO), the Dark Target (DT) aerosol retrieval algorithm relies on the assumption of a Surface Reflectance Parameterization (SRP) over land surfaces. Specifically for vegetated and dark-soiled surfaces, values of surface reflectance in blue and red visible-wavelength bands are assumed to be nearly linearly related to each other and to the value in a shortwave infrared (SWIR) wavelength band. This SRP also includes dependencies on scattering angle and a normalized difference vegetation index computed from two SWIR bands (NDVISWIR). As the DT retrieval algorithm is being ported to new sensors to continue and expand the aerosol data record, we assess whether the MODIS-assumed SRP can be used for these sensors. Here, we specifically assess SRP for the Advanced Baseline Imager (ABI) aboard, the Geostationary Operational Environmental Satellite (GOES)-16/East (ABIE). First, we find that using MODIS-based SRP leads to higher biases and artificial diurnal signatures in aerosol optical depth (AOD)retrievals from ABIE. The primary reason appears to be that geostationary orbit (GEO) encounters an entirely different set of observation geometry than does LEO, primarily with regards to solar angles coupled with fixed view angles. Therefore, we have developed a new SRP for GEO that draws the angular shape of the surface bidirectional reflectance. We also introduce modifications to the parametrization of both red-SWIR and blue-red spectral relationships to include additional information.The revised Red-SWIR SRP includes solar zenith angle, NDVISWIR, and land-type percentage from an ancillary database. The blue-red SRP adds dependencies on the scattering angle and NDVISWIR. The new SRPs improve the AOD retrieval of ABIE in terms of overall less bias and mitigation of the overestimation around local noon. The average bias of DT AOD compared to AERONET AOD shows a reduction from 0.08 to 0.03, while the bias of local solar noon decreases from 0.12 to 0.03.The agreement between DT and AERONET AOD is established through regression slope of 1.06 and y-intercept of 0.01with correlation coefficient is0.74. By using the new SRP, the percentage of data falling within the expected error range (±0.05 + 15%) is notably risen from 54% to 78%.

Mijin Kim↗

Explainable machine learning reveals that local structural motifs encode the thermodynamic state across the CuZr metallic glass-forming range

Metallic glasses derive their properties from the statistics of local atomic motifs rather than from long-range order, yet a quantitative, chemistry-specific link between motif populations and the underlying glassy state has remained elusive. In this work we combine large-scale molecular dynamics, Voronoi tessellation, deep neural networks, and SHapley Additive exPlanations (SHAP) to identify which local structural motifs define the glassy state of Cu—Zr metallic glasses. A dataset of 17,180 atomistic configurations spanning ten compositions (Cu 20 Zr 80 –Cu 80 Zr 20 ) and four quench rates (10 9 –10 12 K/s) is used to train a feed-forward neural network that regresses temperature across the 50–2000 K liquid–supercooled–glass range, achieving a mean absolute error of 19.89 K and R 2 = 0.9974, confirming that the local structural state is faithfully encoded in motif-level structure. SHAP analysis then reveals that a tightly coupled near-icosahedral family of motifs (coordination numbers (CN) 11–13, including the full icosahedron 001200 and its single-atom-perturbation sibling 10930) collectively encodes the thermodynamic state of the system across the full glass-forming range. The CN = 11–13 ordered members carry negative SHAP values at high populations, tracking the most deeply-quenched configurations, while 10930 shows the reversed signature consistent with its role as a soft-spot host whose population shrinks as the icosahedral network deepens. The analysis demonstrates that explainable machine learning can isolate the minimal motif vocabulary defining the glassy state and recovers the near-icosahedral building blocks previously identified by data-driven analyses of Cu—Zr. The approach provides a general, chemistry-specific route for characterizing the structural state of disordered materials.

36 MATERIALS SCIENCE↗

Accurate parameterization of the kinetic energy functional for calculations using exact-exchange

In this report, electronic structure calculations based on Kohn-Sham density functional theory (KSDFT) that incorporate exact exchange or hybrid functionals are associated with large computational expense, a consequence of the inherent cubic scaling bottleneck and large associated prefactor, which limits the length and time scales that can be accessed. Though orbital-free density functional theory (OFDFT) calculations scale linearly with system size and are associated with significantly smaller prefactor, they are limited by the absence of accurate density-dependent kinetic energy functionals. Therefore, the development of accurate density-dependent kinetic energy functionals is important for OFDFT calculations of large realistic systems. To this end, we propose a method to train kinetic energy functional models at the exact-exchange level of theory by using a dictionary of physically relevant terms that have been proposed in the literature in conjunction with linear or nonlinear regression methods to obtain the fitting coefficients. For our dictionary, we use gradient expansion of the kinetic energy, nonlocal models proposed in the literature and their nonlinear combinations, such as a model that incorporates spatial correlations between higher order derivatives of electron density at two points. The predictive capabilities of these models are assessed by using a variety of model one-dimensional systems that exhibit diverse bonding characteristics, such as a chain of eight hydrogens, LiF, LiH, C 4 H 2 , C 4 N 2 and C 3 O 2 . We show that by using data from model one-dimensional KSDFT calculations performed using the exact-exchange functional for only a few neutral structures, it is possible to generate models with high accuracy for charged systems as well as electron and kinetic energy densities during self-consistent field iterations. In addition, we show that it possible to learn both the orbital dependent terms, i.e., the kinetic energy and the exact-exchange energy, and models that incorporate additional nonlinearities in spatial correlations, such as a quadratic model, are needed to capture subtle features of the kinetic energy density that are present in exact-exchange-based KSDFT calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Global Aerodynamic Modeling Using Automated Local Model Networks in Real Time

A novel method is presented for automated real-time global aerodynamic modeling using local model networks, known as Smoothed Partitioning with Localized Trees in Real Time (SPLITR), as part of NASA’s Learn-to-Fly technology development initiative. The global nonlinear aerodynamics are partitioned into several local regions known as cells, with the dimension, location, and timing of each partition automatically selected based on a residual characterization procedure, under the constraints of real-time operation. Regression trees represent the successive partitioning of the global flight envelope and describe the evolution of the cell structure. Recursive equation-error least-squares parameter estimation in the time domain is used to estimate a model that represents the local aerodynamics in each region, so that it can be updated independently with non-contiguous data in the range of each cell over time. A weighted superposition of these piecewise local models across the flight envelope forms a global nonlinear model that also accurately captures the local aerodynamics. The SPLITR approach is demonstrated using both simulation and flight data, and the results are analyzed in terms of model predictive capabilities as well as interpretability. The results show that SPLITR can be used to automatically partition complex nonlinear aerodynamic behavior, produce an accurate model, and provide valuable physical insight into the local and global aerodynamics.

Weinstein, Rose↗

Ensemble methods for quantification of potassium oxide in ChemCam Mars and laboratory spectra

In this paper we test new approaches for predicting the amount of element oxides in rock samples from the ChemCam instrument suite onboard the NASA Curiosity rover by focusing on K 2 O. Using the expanded dataset compiled by Gasda et al. (2021) with and without the Earth to Mars (E2M and NoE2M) transformation discussed in Clegg et al. (2017) we trained blended submodels using the “double blending” technique and compared these to ensemble methods (Random Forest, ExtraTrees, and Gradient Boosting Regression). We found that ensemble methods performed similar to blended submodels when looking at RMSE-P on the laboratory spectra and provided significant advantages when looking at spectra coming from Mars. For the full model, blended submodels achieved an RMSE-P of 0.62 and 0.60 (E2M and NoE2M respectively) while Gradient Boosting Regression resulted in a slightly improved RMSE-P of 0.59 and 0.60. More importantly, by employing a local RMSE-P estimation technique where model performance is evaluated based on nearby test samples we found that using ensemble methods can lower the quantification limit for K 2 O from the current value of ≈0.6 wt% to ≈0.08 wt% using Extra Trees and Random Forest. This would allow for a much larger range of K 2 O values to be quantified on Mars with greater certainty given that most targets seen on Mars tend to have <1 wt% K2O. Finally, we used both Mean Decrease in Impurity (MDI) and permutation importance techniques to investigate the wavelengths used by the ensemble methods and found that they correspond to known potassium emission lines. This suggests that ensemble methods can provide an easier to train and improved alternative to blended submodels for predicting potassium compositions from Laser Induced Breakdown Spectroscopy (LIBS) data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling ethanol/water adsorption in all-silica zeolites using the real adsorbed solution theory

A comprehensive set of single-component and binary isotherms were collected for ethanol/water adsorption into the siliceous forms of 185 known zeolites using grand-canonical Monte Carlo simulations. Using these data, a systematic analysis of ideal/real adsorbed-solution theory (IAST/RAST) was conducted and activity coefficients were derived for ethanol/water mixtures adsorbed in different zeolites based on RAST. It was found that activity coefficients of ethanol are close to unity while activity coefficients of water are larger in most zeolites, indicating a positive excess free energy of the mixture. This observation can be attributed to water/ethanol interactions being less favorable than water/water interactions in the single-component adsorption of water at comparable loadings. The deviation from ideal behavior can be highly structure-dependent but no clear correlation with pore diameters was identified. Furthermore, our analysis also demonstrates the following: (1) accurate unary isotherms in the low-loading regime are critical for obtaining physically sensible activity coefficients; (2) the global regression scheme to solve for activity model parameters performs better than fitting activity models to activity coefficients calculated locally at each binary state point; and (3) including the dependence on adsorption potential offers only a minor benefit for describing binary adsorption at the lowest fugacities. Finally, the Margules activity model was found incapable of capturing the non-ideal adsorption behavior over the entire range of fugacities and compositions in all zeolites, but for conditions typical of solution-phase adsorption, RAST predictions using zeolite-specific or even bulk Margules parameters provide an improved description compared to IAST.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An finite element analysis surrogate model with boundary oriented graph embedding approach for rapid design

Abstract In this work, we present a boundary oriented graph embedding (BOGE) approach for the graph neural network to assist in rapid design and digital prototyping. The cantilever beam problem has been solved as an example to validate its potential of providing physical field results and optimized designs using only 10 ms. Providing shortcuts for both boundary elements and local neighbor elements, the BOGE approach can embed unstructured mesh elements into the graph and performs an efficient regression on large-scale triangular-mesh-based finite element analysis (FEA) results, which cannot be realized by other machine-learning-based surrogate methods. It has the potential to serve as a surrogate model for other boundary value problems. Focusing on the cantilever beam problem, the BOGE approach with 3-layer DeepGCN model achieves the regression with mean square error (MSE) of 0.011 706 (2.41% mean absolute percentage error) for stress field prediction and 0.002 735 MSE (with 1.58% elements having error larger than 0.01) for topological optimization. The overall concept of the BOGE approach paves the way for a general and efficient deep-learning-based FEA simulator that will benefit both industry and Computer Aided Design (CAD) design-related areas.

42 ENGINEERING↗

Learning from metastable symmetric-tilt grain boundaries using physics-based descriptors

Grain boundaries (GBs) govern critical properties of polycrystalline materials. Although significant advancements have been made in characterizing minimum energy and ordered GBs, real GBs are seldom found in such well-defined states. This diversity of atomic arrangements in metastable states makes it challenging to establish structure-property relationships with physical insights. Here, to address this challenge, we use data-driven methods to explore these relationships and examine the underlying physics. In this study, we utilize a large atomistic database (~5000) of minimum energy and metastable states of symmetric-tilt copper GBs, combined with physically motivated local atomic environment (LAE) descriptors [strain functional descriptors (SFDs)], to predict GB properties and gain physical insights. Our regression models exhibit robust predictive capabilities using only 19 descriptors, generalizing to atomic environments in nanocrystals. A significant highlight of our work is the integration of an unsupervised method with SFDs to elucidate LAEs at GBs and their role in determining properties. The model, trained on these minimum energy and metastable GBs using SFDs, predicts the properties of unseen nanocrystals with good accuracy. Our research underscores the role of a physics-based representation of LAEs and the efficacy of data-driven methods in establishing GB structure-property relationships.

36 MATERIALS SCIENCE↗

Analyzing Source Apportioned Methane in Northern California During DISCOVER-AQ-CA Using Airborne Measurements and Model Simulations

This study analyzes source apportioned methane (CH4) emissions and atmospheric concentrations in northern California during the Discover-AQ-CA field campaign using airborne measurement data and model simulations. Source apportioned CH4 emissions from the Emissions Database for Global Atmospheric Research (EDGAR) version 4.2 were applied in the 3-D chemical transport model GEOS-Chem and analyzed using airborne measurements taken as part of the Alpha Jet Atmospheric eXperiment over the San Francisco Bay Area (SFBA) and northern San Joaquin Valley (SJV). During the time period of the Discover-AQ-CA field campaign EDGAR inventory CH4 emissions were 5.30 Gg/day (Gg 1.0 109 grams) (equating to 1.9 103 Gg/yr) for all of California. According to EDGAR, the SFBA and northern SJV region contributes 30 of total emissions from California. Source apportionment analysis during this study shows that CH4 concentrations over this area of northern California are largely influenced by global emissions from wetlands and local/global emissions from gas and oil production and distribution, waste treatment processes, and livestock management. Model simulations, using EDGAR emissions, suggest that the model under-estimates CH4 concentrations in northern California (average normalized mean bias (NMB) -5 and linear regression slope 0.25). The largest negative biases in the model were calculated on days when hot spots of local emission sources were measured and atmospheric CH4 concentrations reached values 3.0 parts per million (model NMB -10). Sensitivity emission studies conducted during this research suggest that local emissions of CH4 from livestock management processes are likely the primary source of the negative model bias. These results indicate that a variety, and larger quantity, of measurement data needs to be obtained and additional research is necessary to better quantify source apportioned CH4 emissions in California and further the understanding of the physical processes controlling them.

Methane↗

Beyond Point Estimates: Benchmarking Uncertainty Quantification Methods on the AION-1 Astronomical Foundation Model

Foundation models for astronomical surveys offer powerful learned representations that can be transferred to downstream regression tasks such as galaxy property estimation. However, point predictions alone are insufficient for scientific inference; reliable uncertainty quantification (UQ) is essential. We compare seven UQ methods on galaxy property regression using frozen AION-1 foundation-model embeddings, predicting redshift, stellar mass, stellar-population age, gas-phase metallicity, and specific star-formation rate, from Legacy Survey photometry/imaging and DESI spectra, with PROVABGS-derived labels. Distribution-free conformal methods achieve marginal coverage within $\sim$1 pp of the nominal 90% across all properties, while non-conformal baselines (Deep Ensembles, MC~Dropout) fail to calibrate reliably. Among conformal approaches, Conformalized Quantile Regression (CQR) delivers the best coverage in the bin with the poorest model predictions. More importantly, only the Locally Valid and Discriminative (LVD) framework -- particularly when operating on AION-1 embeddings -- also provides finite-sample \emph{local validity}, producing intervals that adapt to each galaxy's local prediction difficulty rather than relying on marginal guarantees alone. These results establish conformal prediction, and LVD in particular, as the preferred UQ framework for uncertainty-aware inference on foundation-model embeddings in astrophysics.

Tame-Narvaez, Karla [Fermilab] (ORCID:000000022249↗

Does Age, Residency, or Feeding Guild Coupled with a Drought Index Predict Avian Health during Fall Migration?

Birds are good indicators of environmental change and are often studied for responses to climate. Many studies focus on breeding birds, while fewer look at the migration period, which is a critical time for many birds. Birds are more susceptible to unusual climatic events during their migration due to the metabolic stress of long-distance movements. In the fall of 2020, an unusual cold weather event coupled with drought and wildfire smoke led to a large avian mortality event in New Mexico. Later analysis pointed to the mortality being largely due to starvation. This was the impetus for our research. We used 11 years of fall bird banding data from two locations, along with local drought indices, to determine what predicts avian health during the migration period. We used fat score data from over 15,000 individual birds to assess whether drought indices, age, diet, or residency influenced avian health using multiple logistic regression. We found that the probability of positive fat scores decreased as drought severity increased for younger, insectivorous, migratory birds. Insectivores had a higher probability of receiving a fat score greater than zero relative to local drought conditions, which is important, since many North American insectivores are in steep decline. Migratory birds showed a greater response than year-round residents, and older birds showed a lower but significant response compared to hatch-year birds. Our results suggest that migratory insectivores in the southwestern United States may be less resilient to drought-related climate change.

59 BASIC BIOLOGICAL SCIENCES↗

Flood Monitoring and Crop Damage Assessment

In recent years, the occurrence and impact of inland and coastal flood events have become more frequent and damaging, especially within agricultural fields, due to the global climate change and consistent sea level rise. Monitoring and measuring the magnitude of flood events in a timely manner and assessing the subsequent crop damages accurately are precursors in minimizing detrimental consequences that could potentially lead to a global food security crisis. Traditional gauge-based measurements with sophisticated hydrological models are capable of monitoring flood events precisely but limited within the smaller spatial extent, time-consuming, and costly. In recent decades, advancement in airborne- and satellite-based remote sensing technologies offering products at a daily global spatial extent with various spectral resolution helps address the shortcomings of the traditional in situ approaches in flood monitoring. Furthermore, the methods such as classification and band ratioing using remote sensing products are simple and effective in assessing flood-induced agricultural damages. The combination of remote sensing products and geographic information systems along with the current development in web mapping, users now can get near real-time flood monitoring and crop damage assessments, albeit dependent upon the quality of available data. A case study to quantify the impact of the 2011 Missouri Mississippi River flooding on the surrounding cornfield was performed through a regression model. The model was trained using historical daily NDVI and corn yield across Nebraska and Missouri, and the overall accuracy in estimating corn yield was about 90%. The method implemented in this localized case study could be extended at a larger geographical scale.

Flood monitoring↗

Robust scalable initialization for Bayesian variational inference with multi-modal Laplace approximations

Predictive modeling typically relies on Bayesian model calibration to provide uncertainty quantification. Variational inference utilizing fully independent (“mean-field”) Gaussian distributions are often used as approximate probability density functions. This simplification is attractive since the number of variational parameters grows only linearly with the number of unknown model parameters. However, the resulting diagonal covariance structure and unimodal behavior can be too restrictive to provide useful approximations of intractable Bayesian posteriors that exhibit highly non-Gaussian behavior, including multimodality. High-fidelity surrogate posteriors for these problems can be obtained by considering the family of Gaussian mixtures. Gaussian mixtures are capable of capturing multiple modes and approximating any distribution to an arbitrary degree of accuracy, while maintaining some analytical tractability. Unfortunately, variational inference using Gaussian mixtures with full-covariance structures suffers from a quadratic growth in variational parameters with the number of model parameters. The existence of multiple local minima due to strong nonconvex trends in the loss functions often associated with variational inference present additional complications, These challenges motivate the need for robust initialization procedures to improve the performance and computational scalability of variational inference with mixture models. In this work, we propose a method for constructing an initial Gaussian mixture model approximation that can be used to warm-start the iterative solvers for variational inference. The procedure begins with a global optimization stage in model parameter space. In this step, local gradient-based optimization, globalized through multistart, is used to determine a set of local maxima, which we take to approximate the mixture component centers. Around each mode, a local Gaussian approximation is constructed via the Laplace approximation. Finally, the mixture weights are determined through constrained least squares regression. The robustness and scalability of the proposed methodology is demonstrated through application to an ensemble of synthetic tests using high-dimensional, multimodal probability density functions. Here, the practical aspects of the approach are demonstrated with inversion problems in structural dynamics.

97 MATHEMATICS AND COMPUTING↗

Power generation forecasting for solar plants based on Dynamic Bayesian networks by fusing multi-source information

A Dynamic Bayesian network (DBN) model for solar power generation forecasting in solar plants is proposed in this paper. The key idea is to fuse sensor data, operational indicators, meteorological data, lagged output power information, and model errors for more accurate short-term (e.g., hours) and mid-term (e.g., days to weeks) power generation forecasting. The proposed DBN augments automated data-driven structure learning with expert knowledge encoding using continuous and categorical data given constraints to represent causal relationships within a solar inverter system. Additionally, an error compensation mechanism is proposed to capture temporal fluctuation. The effectiveness of the DBN on solar power generation forecasting was evaluated by rolling window analysis with one-year testing data collected from a local solar plant. The proposed DBN is compared with four state-of-art methods including support-vector regression (SVR), k-nearest neighbors (kNN), artificial neural network (ANN), and long short-term memory (LSTM) models. The result show that the proposed DBN achieves better accuracy in general, and it is not as data-hungry as some neural network-based models. The proposed DBN is also shown to have robust and consistent forecasting power with different forecasting horizons. The accuracy is 92% - 95% from one hour to one week ahead forecasting.

14 SOLAR ENERGY↗

Survival analysis of localized prostate cancer with deep learning

In recent years, data-driven, deep-learning-based models have shown great promise in medical risk prediction. By utilizing the large-scale Electronic Health Record data found in the U.S. Department of Veterans Affairs, the largest integrated healthcare system in the United States, we have developed an automated, personalized risk prediction model to support the clinical decision-making process for localized prostate cancer patients. This method combines the representative power of deep learning and the analytical interpretability of parametric regression models and can implement both time-dependent and static input data. To collect a comprehensive evaluation of model performances, we calculate time-dependent C-statistics C td over 2-, 5-, and 10-year time horizons using either a composite outcome or prostate cancer mortality as the target event. The composite outcome combines the Prostate-Specific Antigen (PSA) test, metastasis, and prostate cancer mortality. Our longitudinal model Recurrent Deep Survival Machine (RDSM) achieved C td 0.85 (0.83), 0.80 (0.83), and 0.76 (0.81), while the cross-sectional model Deep Survival Machine (DSM) attained C td 0.85 (0.82), 0.80 (0.82), and 0.76 (0.79) for the 2-, 5-, and 10-year composite (mortality) outcomes, respectively. In addition to estimating the survival probability, our method can quantify the uncertainty associated with the prediction. The uncertainty scores show a consistent correlation with the prediction accuracy. We find PSA and prostate cancer stage information are the most important indicators in risk prediction. Our work demonstrates the utility of the data-driven machine learning model in prostate cancer risk prediction, which can play a critical role in the clinical decision system.

60 APPLIED LIFE SCIENCES↗

Core Body Temperature Predictions Using Metabolic Energy Expenditure and Heart Rate During Simulated Extravehicular Activity

Long duration spaceflight missions will require crew to become more autonomous in conducting extravehicular activities (EVA) without direct communication with Mission Control for biomedical support. To enable such autonomy, we are developing a Crew State and Risk Model (CSRM) as a collection of key physiology domains that drive EVA crew capabilities and workloads. One model component of CSRM is human thermal regulation. In this paper, customized development of a baseline model to predict core body temperature is presented using physiology inputs of heart rate and metabolic rate. The model development dataset included a baseline study where participants (n=6, equal male and female) performed a 5-hour EVA in a two-part session while wearing a hybrid space suit simulator (HS3). The first session included an end-to-end EVA traversing 1500 meters to a geology site and traversing back to a habitat conducting geology, payload relocation, and maintenance operations every 500 meters. The second session included standalone tasks of a 2000-meter traverse followed by geology tasks. Thermal measures of core body temperature, local skin temperature, liquid cooling garment temperature, heart rate, and metabolic rate were collected through the test duration. Multiple regression was used to build a linear equation to predict core body temperature from inputs of heart rate and metabolic rate. Heat storage was calculated via predicted core body temperature plus LCG and skin temperatures. The model was tested against a dataset from a pressurized suited test (n=6, equal male and female) in the NASA Active Response Gravity Offload System (ARGOS) conducting similar end-to-end EVA and standalone tasks. Predicted error of the model against the raw test cases was 0.2±0.15 °C. The baseline prediction of core body temperature using heart rates and metabolic rates allows for simple real-time tracking from data collected in-flight to monitor crew consumables and thermal flight limits during EVA.

Bradley Hoffmann↗

Long-term socioeconomic trends and climate variability as drivers of virtual water scarcity in China

Water scarcity can have far-reaching sectoral impacts beyond its physical location through the propagation of virtual water flows. Socioeconomic and hydroclimatic changes affect local and virtual water scarcity by altering availability and demand. Yet most studies of this phenomenon focus on volumetric footprints, and the few on water scarcity risk have not examined hydroclimatic variability beyond long-term trends. In this study, we ask how gross domestic product (GDP) and population changes, long-term meteorological trends, sea surface temperature (SST) patterns, and interannual meteorological variability affect water scarcity in China, both locally (through the local water scarcity risk index, LWSR) and remotely (through the virtual water scarcity risk index, VWSR). Counterfactual scenarios were compared in a regression-and-simulation framework, with the socioeconomic and meteorological drivers varying over 1923–2019 and the multi-regional input–output structure staying fixed at 2017. Relative to a 5 year baseline centered on 2017, GDP and population changes have induced a cumulative 17%–50% increase in LWSR and 13%–21% increase in VWSR, outweighing the effect of long-term meteorological trends. phase change in one of two examined SST patterns induce 4%–13% differences in LWSR and 1%–4% differences in VWSR. Interannual meteorological variability induces 10%–20% standard deviations in LWSR and 3%–7% in VWSR. The findings highlight the importance of using longer time series to accurately assess local and virtual water scarcity situations. Water scarcity management should prioritize socioeconomic factors when planning at century-long timescales and prioritize hydroclimatic factors at multidecadal or shorter timescales. water managers should consider interannual variabilities in LWSR and VWSR and plan for potential occurrences of extreme conditions.

climate variability↗