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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

State-of-the-art on research and applications of machine learning in the building life cycle

Fueled by big data, powerful and affordable computing resources, and advanced algorithms, machine learning has been explored and applied to buildings research for the past decades and has demonstrated its potential to enhance building performance. This study systematically surveyed how machine learning has been applied at different stages of building life cycle. By conducting a literature search on the Web of Knowledge platform, we found 9579 papers in this field and selected 153 papers for an in-depth review. The number of published papers is increasing year by year, with a focus on building design, operation, and control. However, no study was found using machine learning in building commissioning. There are successful pilot studies on fault detection and diagnosis of HVAC equipment and systems, load prediction, energy baseline estimate, load shape clustering, occupancy prediction, and learning occupant behaviors and energy use patterns. None of the existing studies were adopted broadly by the building industry, due to common challenges including (1) lack of large scale labeled data to train and validate the model, (2) lack of model transferability, which limits a model trained with one data-rich building to be used in another building with limited data, (3) lack of strong justification of costs and benefits of deploying machine learning, and (4) the performance might not be reliable and robust for the stated goals, as the method might work for some buildings but could not be generalized to others. Finally, findings from the study can inform future machine learning research to improve occupant comfort, energy efficiency, demand flexibility, and resilience of buildings, as well as to inspire young researchers in the field to explore multidisciplinary approaches that integrate building science, computing science, data science, and social science.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2020

Watershed Modeling with Remotely Sensed Big Data: MODIS Leaf Area Index Improves Hydrology and Water Quality Predictions

Traditional watershed modeling often overlooks the role of vegetation dynamics. There is also little quantitative evidence to suggest that increased physical realism of vegetation dynamics in process-based models improves hydrology and water quality predictions simultaneously. In this study, we applied a modified Soil and Water Assessment Tool (SWAT) to quantify the extent of improvements that the assimilation of remotely sensed Leaf Area Index (LAI) would convey to streamflow, soil moisture, and nitrate load simulations across a 16,860 km2 agricultural watershedin the midwestern United States. We modified the SWAT source code to automatically override the model’s built-in semiempirical LAI with spatially distributed and temporally continuous estimates from Moderate Resolution Imaging Spectroradiometer (MODIS). Compared to a “basic” traditional model with limited spatial information, our LAI assimilation model (i) significantly improved daily streamflow simulations during medium-to-low flow conditions, (ii) provided realistic spatial distributions of growing season soil moisture, and (iii) substantially reproduced the long-term observed variability of daily nitrate loads. Further analysis revealed that the overestimation or underestimation of LAI imparted a proportional cascading effect on how the model partitions hydrologic fluxes and nutrient pools. As such, assimilation of MODIS LAI data corrected the model’sLAI overestimation tendency, which led to a proportionally increased rootzone soil moisture and decreased plant nitrogen uptake. With these new findings, our study fills the existing knowledge gap regarding vegetation dynamics in watershed modeling and confirms that assimilation of MODIS LAI data in watershed models can effectively improve both hydrology and water quality predictions.

Adnan Rajib↗
NASA NTRS2003

Investigation of Critical Heat Flux in Reduced Gravity Using Photomicrographic Techniques

Experiments were performed to examine the effects of body force on flow boiling critical heat flux (CHF). FC-72 was boiled along one wall of a transparent rectangular flow channel that permitted photographic study of the vapor-liquid interface just prior to CHF. High-speed video imaging techniques were used to identify dominant CHF mechanisms corresponding to different flow orientations and liquid velocities. Six different CHF regimes were identified: Wavy Vapor Layer, Pool Boiling, Stratification, Vapor Counterflow, Vapor Stagnation, and Separated Concurrent Vapor Flow. CHF showed significant sensitivity to orientation for flow velocities below 0.2 m/s, where extremely low CHF values where measured, especially with downward-facing heated wall and downflow orientations. High flow velocities dampened the effects of orientation considerably. The CHF data were used to assess the suitability of previous CHF models and correlations. It is shown the Interfacial Lift-off Model is very effective at predicting CHF for high velocities at all orientations. The flooding limit, on the other hand, is useful at estimating CHF at low velocities and for downflow orientations. A new method consisting of three dimensionless criteria is developed for determining the minimum flow velocity required to overcome body force effects on near-saturated flow boiling CHF. Vertical upflow boiling experiments were performed in pursuit of identifying the trigger mechanism for subcooled flow boiling CHF. While virtually all prior studies on flow boiling CHF concern the prediction or measurement of conditions that lead to CHF, this study was focused on events that take place during the CHF transient. High-speed video imaging and photomicrographic techniques were used to record the transient behavior of interfacial features from the last steady-state power level before CHF until the moment of power cut-off following CHF. The video records show the development of a wavy vapor layer which propagates along the heated wall, permitting cooling prior to CHF only in wetting fronts corresponding to the wave troughs. Image analysis software was developed to estimate void fraction from the individual video images. The void fraction records for subcooled flow boiling show the CHF transient is accompanied by gradual lift-off of wetting fronts culminating in some maximum vapor layer mean thickness, following which the vapor layer begins to thin down as the transition to film boiling ensues. This study proves the Interfacial Lift-off Model, which has been validated for near-saturated flow boiling CHF, is equally valid for subcooled conditions.

Mudawar, Issam↗
DOE OSTI2026

Neural network potentials with effective charge separation for non-equilibrium dynamics of ionic solids: a ZnO case study

Developing neural network potentials (NNPs) accurate under non-equilibrium dynamics is challenging, as such systems require extensive sampling beyond equilibrium phases. Here we construct high-fidelity NNPs for zinc oxide (ZnO), a polymorphic ionic solid, using density functional theory (DFT) reference data. To efficiently capture transitional configurations, we combine enhanced-sampling molecular dynamics with empirical potentials, data distillation, and pretraining on short-range atomic energies (A-Train), followed by transfer learning with DFT-relabeled datasets. This hierarchical approach improves transferability across polymorphs and stress states. We further introduce effective charge separation, treating long-range Coulombic terms analytically while short-range residual interactions are learned by the NNP. The optimal effective charges fall in the range 0.5–1.0 q e , consistent with dielectric-screened values derived from formal charges but distinct from Bader estimates. Motivated by this observation, we propose a simple data-driven protocol in which effective charges are optimized by comparing DFT reference energies with explicit Coulomb calculations, without additional NNP training. This strategy improves accuracy and transferability in DFT-level predictions of energies, forces, and stress. Together, these results provide a practical charge-selection framework for robust NNP development in ionic solids, enabling reliable simulation of polymorphic phase transformations and non-equilibrium dynamics.

Chemistry↗
DOE OSTI2026

Multi-Modal Bayesian Neural Network Surrogates with Conjugate Last-Layer Estimation

As data collection and simulation capabilities advance, multi-modal learning, the task of learning from multiple modalities and sources of data, is becoming an increasingly important area of research. Surrogate models that learn from data of multiple auxiliary modalities to support the modeling of a highly expensive quantity of interest have the potential to aid outer loop applications such as optimization, inverse problems, or sensitivity analyses when multi-modal data are available. We develop two multi-modal Bayesian neural network surrogate models and leverage conditionally conjugate distributions in the last layer to estimate model parameters using stochastic variational inference (SVI). We provide a method to perform this conjugate SVI estimation in the presence of partially missing observations. Here, we demonstrate improved prediction accuracy and uncertainty quantification compared to unimodal surrogate models for both scalar and time series data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Wear of Wave Energy Converters Mooring Lines Belts

Using a belt as a replacement for a rope on a rotary power take-offs (PTOs) system has become more common for wave energy converters, improving cyclic bend over sheave performance with a smaller bending thickness for belts. However, the service life predictions of PTOs are a major concern in design, because belt performance under harsh underwater environments is largely less studied. Here, in this work, the effect of fleet and twist angles on wear life is being investigated both experimentally and numerically. Two three-dimensional equivalent static finite element models are constructed to evaluate the complex stress state of polyurethane-steel belts around steel drums. The first is to capture the response of the experimental investigation performed on the wear life, and the second to predict the wear life of an existing functional PTO. The results show a significant effect for fleet and twist angles on stress concentrations and estimated service life.

16 TIDAL AND WAVE POWER↗
DOE OSTI2025

Detailed Design and Cost Estimation of a 300 MWe Oxy-Fuel sCO2 Turbine

The detailed design of a 300 MWe, utility scale oxy-fuel turbine has been completed for purposed operation in the sCO2 direct fired Allam-Fetvedt cycle, targeting near-zero emissions and a 50% LHV system efficiency. The turbine and its supporting plant aim to offer a lower levelized cost of energy than a natural gas combined cycle plant employing carbon capture. The oxy-fuel turbine conditions include an inlet temperature of 1150°C and inlet pressure of 305 bar, representing temperatures near that of a gas turbine simultaneously with pressures near an ultra-supercritical steam turbine. The combustor housing and turbine designs were completed according to the ASME BPVC; the turbine case specifically incorporates a multi-body design with inner high-pressure barrel case and low-pressure (30 bar) horizontally split outer case of low-chromium steel material. Lateral rotordynamic evaluation demonstrated acceptable vibration response for a range of imbalance conditions per API standards. The cooling flow required in the six-stage turbine flowpath for 30,000 hr. blade and stator lifetime is predicted through thermal and structural modeling of the first stage. The provided cost estimate of the turbine is formed through a combination of scaled up-costs from procured 10 MWe scale sCO2 turbomachinery hardware, and vendor provided budgetary quotes of larger components including the turbine case requiring casting, welding, and final machining processes. The performance and cost estimation of the oxy-fuel turbine predicted for the completed detailed design provides important information towards future development needs for market penetration of utility scale direct fired sCO2 power cycles.

Marshall, Michael [Southwest Research Institute, S↗
DOE OSTI2021

Projected Cosmological Constraints from Strongly Lensed Supernovae with the Roman Space Telescope

One of the primary mission objectives of the Roman Space Telescope is to investigate the nature of dark energy with a variety of methods. Observations of Type I supernovae (SNe Ia) will be one of the principal anchors of the Roman cosmology program through traditional luminosity distance measurements. This SNe Ia cosmology program can provide another valuable cosmological probe, without altering the strategy of the mission: time delay cosmography with gravitationally lensed supernova (SN). In this work, we forecast lensed SN cosmology constraints with the Roman Space Telescope, while providing useful tools for future work. Using the anticipated characteristics of the Roman SNe Ia survey, we have constructed mock catalogs of expected resolved lensing systems, as well as strongly lensed Type Ia and core-collapse (CC) SN light curves, including microlensing effects. We predict Roman will find ~11 lensed SNe Ia and ~20 CCSNe, depending on the survey strategy. Next, we estimate the time delay precision obtainable with Roman (Ia: ~2 days, CC: ~3 days), and use a Fisher matrix analysis to derive projected constraints on H 0 ,Ω m , and the dark energy equation of state, w, for each SNe Ia survey strategy. Here, a strategy optimized for the discovery of high-redshift SNe Ia is preferred when considering the constraints possible from both SNe Ia and lensed SN cosmology, also delivering ~1.5 times more lensed SNe than other proposed survey strategies.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2003

Description of a Normal-Force In-Situ Turbulence Algorithm for Airplanes

A normal-force in-situ turbulence algorithm for potential use on commercial airliners is described. The algorithm can produce information that can be used to predict hazardous accelerations of airplanes or to aid meteorologists in forecasting weather patterns. The algorithm uses normal acceleration and other measures of the airplane state to approximate the vertical gust velocity. That is, the fundamental, yet simple, relationship between normal acceleration and the change in normal force coefficient is exploited to produce an estimate of the vertical gust velocity. This simple approach is robust and produces a time history of the vertical gust velocity that would be intuitively useful to pilots. With proper processing, the time history can be transformed into the eddy dissipation rate that would be useful to meteorologists. Flight data for a simplified research implementation of the algorithm are presented for a severe turbulence encounter of the NASA ARIES Boeing 757 research airplane. The results indicate that the algorithm has potential for producing accurate in-situ turbulence measurements. However, more extensive tests and analysis are needed with an operational implementation of the algorithm to make comparisons with other algorithms or methods.

Stewart, Eric C.↗
NASA NTRS2018

Earthshine as an Illumination Source at the Moon

Earthshine is the dominant source of natural illumination on the surface of the Moon during lunar night, and at some locations within permanently shadowed regions (PSRs) near the poles that never receive direct sunlight. As such, earthshine has the potential to enable the scientific investigation and exploration of conditions in areas of the Moon that are either temporarily or permanently hidden from the Sun. Earthshine has also been used to refer to Earthlight reflected from the lunar surface, but in this study we use it to refer specifically to Earthlight incident at the Moon. Under certain circumstances, the heat flux from earthshine could also influence the transport and cold-trapping of volatiles present in the very coldest areas within PSRs. In this study, Earth's spectral irradiance, as it would appear at the Moon in the solar reflectance band (0.3–3.0 µm) and at thermal emission wavelengths (3–50 µm), is examined with a suite of model image cubes and whole-disk spectra created using the Virtual Planetary Laboratory (VPL) three-dimensional (latitude, longitude and altitude) modeling capability. At the Moon, the broadband, hemispherical irradiance from Earth at full-phase is approximately 0.15 W m−2 with comparable contributions from solar reflectance and thermal emission; for context, this about 0.01% that of solar irradiance and has an equivalent temperature of around 40 K. Over the simulated timeframe, spanning two lunations, Earth's thermal irradiance shows very little net change (less than a few mW m−2 resulting from cloud variability and the south-to-north motion of the sub-observer latitude on Earth). In the solar band, Earth's diurnally averaged light curve at phase angles g ≤ 60° is well-fit using a Henyey–Greenstein integral phase function. At wavelengths longward of about 0.7 µm, near the well-known vegetation “red edge”, Earth's reflected solar radiance shows significant diurnal modulation as a result of the broad maximum in projected landmass at terrestrial longitudes between 60°W and 0°, as well as from the distribution of clouds. A simple formulation with adjustable coefficients is presented, condensed from the VPL model grid, for estimating Earth's hemispherical irradiance at the Moon as a function of wavelength, phase angle and sub-observer coordinates (terrestrial latitude and longitude). Uncertainties in any one prediction are estimated to be 10–12% at 0.3 µm, rising to >25% near 2.5 µm as a result of the increasing relative brightness and unpredictable influence of clouds. Although coefficient values are derived from a suite of spring equinox models, the approximation appears to be valid for all seasons, to within the stated uncertainties. It is demonstrated that earthshine is sufficiently bright to serve as a natural illumination source for optical measurements on a robotic lander/rover, allowing the identification of water ice mixed with regolith at the percent-level of fractional area.

Surface↗
NASA NTRSDate not supplied

Process Modeling of Woven Textiles

Woven polymer matrix composites offer numerous advantages over traditional unidirectional laminates. Processing conditions affect residual stress that builds up during manufacturing. This work proposes the analysis of three curing parameters on the local residual stress distribution of a plain weave textile architecture, including chemical shrinkage, the temperature cool down, and the evolution of matrix properties as a function of curing. Virtual curing is applied to the inter-tow matrix material of the plain weave Repeating Unit Cell (RUC) modeled in TexGen. Curing is implemented through user-written subroutines within the commercial software suite Abaqus. Results from process modeling are compared with a linear-elastic thermal cool down in Abaqus. A boundary conditions study is also conducted to compare the residual stress build up predicted by Flat(FBCs) and Periodic Boundary Conditions (PBCs). Preliminary results indicate that a thermal cool down over-estimates the end-of-cure stresses in the matrix. Process modeling is conducted with and without chemical shrinkage, then compared with a thermal cool down. Results show that 11.32% of the final stress state is due to chemical shrinkage. Material property evolution during curing also has a non-negligible effect on the end stress.

woven composites↗
NASA NTRS2020

Using Two-Stream Theory to Capture Fluctuations of Satellite-Perceived TOA SW Radiances Reflected from Clouds Over Ocean

Shortwave (SW) fluxes estimated from broadband radiometry rely on empirically gathered and hemispherically resolved fields of outgoing top-of-atmosphere (TOA) radiances. This study aims to provide more accurate and precise fields of TOA SW radiances reflected from clouds over ocean by introducing a novel semiphysical model predicting radiances per narrow sun-observer geometry. This model was statistically trained using CERES-measured radiances paired with MODIS-retrieved cloud parameters as well as reanalysis-based geophysical parameters. By using radiative transfer approximations as a framework to ingest the above parameters, the new approach incorporates cloud-top effective radius and above-cloud water vapor in addition to traditionally used cloud optical depth, cloud fraction, cloud phase, and surface wind speed. A two-stream cloud albedo – serving to statistically incorporate cloud optical thickness and cloud-top effective radius – and Cox–Munk ocean reflectance were used to describe an albedo over each CERES footprint. Effective-radius-dependent asymmetry parameters were obtained empirically and separately for each viewing-illumination geometry. A simple equation of radiative transfer, with this albedo and attenuating above-cloud water vapor as inputs, was used in its log-linear form to allow for statistical optimization. We identified the two-stream functional form that minimized radiance residuals calculated against CERES observations and outperformed the state-of-the-art approach for most observer geometries outside the sun-glint and solar zenith angles between 20 and 70∘, reducing the median SD of radiance residuals per solar geometry by up to 13.2 % for liquid clouds, 1.9 % for ice clouds, and 35.8 % for footprints containing both cloud phases. Geometries affected by sun glint (constituting between 10 % and 1 % of the discretized upward hemisphere for solar zenith angles of 20 and 70∘, respectively), however, often showed weaker performance when handled with the new approach and had increased residuals by as much as 60 % compared to the state-of-the-art approach. Overall, uncertainties were reduced for liquid-phase and mixed-phase footprints by 5.76 % and 10.81 %, respectively, while uncertainties for ice-phase footprints increased by 0.34 %. Tested for a variety of scenes, we further demonstrated the plausibility of scene-wise predicted radiance fields. This new approach may prove useful when employed in angular distribution models and may result in improved flux estimates, in particular dealing with clouds characterized by small or large droplet/crystal sizes.

Two- stream theory↗
DOE OSTI2025

Atomistic Investigation of Plastic Deformation and Dislocation Motion in Uranium Mononitride

Uranium mononitride (UN) is a promising advanced nuclear fuel due to its high thermal conductivity and high fissile density. However, many aspects of its mechanical behavior, particularly at reactor-relevant conditions, remain unclear. In this study, molecular dynamics (MD) simulations were employed to investigate the deformation behavior and dislocation motion in UN. We found that the Kocevski potential predicts the principal slip system as $\frac{1}{2}$ $\langle110\rangle${110}, aligning with experimental data. On the other hand, the Tseplyaev potential predicts slip to primarily occur on $\frac{1}{2}$ $\langle110\rangle${111}. MD simulations of stress–strain behavior were used to estimate the nanoindentation hardness, revealing that the Kocevski potential accurately predicts hardness even though it fails to model dynamic plasticity. Complete dislocation mobility functions have been fitted for the edge and screw dislocations in both the thermally activated and phonon-drag regimes. The 300 K linear mobility of the edge dislocation using the Tseplyaev potential was found to be 817 Pa -1 ·s -1 , whereas that of the screw dislocation using the Kocevski potential was found to be 4546 Pa -1 ·s -1 . At intermediate stresses, we observed that the subsonic steady-state motion of the edge dislocation in UN is intermittently interrupted by velocity jumps, reaching the average sound velocity. Finally, the threshold Schmid stress is calculated as 179–197 MPa, which gives an upper-limit estimate of the uniaxial yield stress of polycrystalline UN of 548–603 MPa. These findings, including the fitted dislocation mobility function, provide essential input for future plasticity and dislocation dynamics models of nuclear fuels.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Final Report on Predictive Analyses of PRD as Function of Anomalies

This report summarizes the work completed in FY-2024 to analyze the power reactivity decrement (PRD) concepts of the ARC-100 core. The PRD has been traditionally defined by the reactivity change from a hot zero power (HZP) to a particular power. Consequently, the PRD accounts for the core reactivity changes due to increase coolant temperature gradient axially and radially across the core, and increased fuel temperature. The coolant temperature gradient leads to sodium and structure density changes, to radial core expansion from assembly flowering and bowing (due to axial and radial temperature gradients within the assemblies), and to control rod driveline thermal expansion. The fuel temperature increase associated with coolant temperature and power increases leads to Doppler effect and axial thermal expansion. In this work, the normal operating Hot Full Power (HFP) state is the only power level of interest, so analyses focus on the PRD calculated from HZP to HFP. The PRD has been used to assess the reactor safety features asymptotically in unprotected accident scenarios, including the loss of heat sink (LOHS), loss of flow (LOF), and transient overpower (TOP) without scram. The PRD concept relies on the “global” reactivity coefficients A, B, and C that are estimated based on “individual” reactivity effects (Doppler, sodium density, etc.). The objectives of this work are: 1) to improve and verify the methodology used to calculate the ABC coefficients used in the PRD, 2) to assess if the PRD can be used to reliably identify abnormal events. This report fulfills the FY-2024 scope of WBS#1.15.8.3 activity, “ANL0120 – Predictive Analyses of PRD as function of deformation”. The PRD concept is described in Sections 2. Additional effort in refining the methodology for core bowing modeling is performed in Sections 3. Then, two verification exercises are proposed in Section 4 to benchmark these coefficients based on direct neutronic-only calculations and on dynamic core transient simulations. Finally, the PRD approach is assessed for the detection of several unexpected events, such as primary flow perturbation or improper fuel loading, in Section 5.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

A Comparison of Pre‐Construction and Operational Wake Loss Estimates for Land‐Based Wind Plants

The overall bias between pre‐construction energy yield assessment (EYA) estimates of wind plant energy production and the achieved operational production is improving in the wind industry, but uncertainty remains high for individual wind plants. Wake effects within wind plants are one of the largest sources of energy loss considered in the EYA process, and previous work shows wake loss estimates to be a major source of disagreement among wind energy consultants who perform EYAs. To better understand the accuracy of wake loss predictions, we compare overall operational wake loss estimates based on supervisory control and data acquisition data to pre‐construction estimates provided by six wind energy consultants for five land‐based wind plants in North America. By augmenting existing approaches for quantifying operational wake losses, we estimate wake losses during the period of record for which operational data are available as well as the expected long‐term wake losses, based on historical reanalysis weather data, to which the EYA estimates are compared. To account for power variations at different turbine locations caused by terrain‐induced wind resource heterogeneity, we correct the operational wake loss estimates using predicted freestream wind speed variations from the Wind Systems Engineering Reynolds‐averaged Navier–Stokes (RANS) tool. We identify long‐term corrected operational wake losses between 1.9% and 6.4% for the five plants, with a mean loss of 4%. For the project deemed most acceptable for operational wake loss assessment, which is located in the simplest terrain and isolated from neighboring plants, the mean EYA wake loss estimate is within 0.7 percentage points of the operational value of 6.4%. For most of the remaining plants, results suggest that wake losses are generally overpredicted by 2.6–6.3 percentage points. However, operational wake losses may be underestimated for many of these projects because of spatial wind resource variations not captured by the RANS model, external wake effects that are unaccounted for in the estimation process, and wind plant blockage effects. To better understand factors that contribute to the observed wake losses, we investigate operational wake losses as a function of wind direction and wind speed. As expected, wake losses are generally concentrated near wind directions that are aligned with rows of closely spaced turbines and at below‐rated wind speeds; however, for some projects, the energy produced by the wind plant exceeds the estimated potential energy of the plant without wake interactions for certain wind directions and wind speeds, suggesting inaccurate assumptions in the wake loss estimation method for those plants. Lastly, we compare predicted and operational wake losses for individual wind turbines, finding that even when overall wake losses are predicted accurately, large uncertainty exists at the turbine level.

17 WIND ENERGY↗
NASA NTRS2011

Integration of Dust Prediction Systems and Vegetation Phenology to Track Pollen for Asthma Alerts in Public Health

Pollen can be transported great distances. Van de Water et. al., 2003 reported Juniperus pollen, a significant aeroallergen was transported 200-600 km. Hence local observations of plant phenology may not be consistent with the timing and source of pollen collected by pollen sampling instruments. The DREAM (Dust REgional Atmospheric Model, Yin 2007) is a verified model for atmospheric dust transport modeling using MODIS data products to identify source regions and quantities of dust (Yin 2007). The use of satellite data products for studying phenology is well documented (White and Nemani 2006). We are modifying the DREAM model to incorporate pollen transport. The linkages already exist with DREAM through PHAiRS (Public Health Applications in remote Sensing) to the public health community. This linkage has the potential to fill this data gap so that health effects of pollen can better be tracked for linkage with health outcome data including asthma, respiratory effects, myocardial infarction, and lost work days. DREAM is based on the SKIRON/Eta modeling system and the Eta/NCEP regional atmospheric model. The dust modules of the entire system incorporate the state of the art parameterizations of all the major phases of the atmospheric dust life such as production, diffusion, advection, and removal. These modules also include effects of the particle size distribution on aerosol dispersion. The dust production mechanism is based on the viscous/turbulent mixing, shear-free convection diffusion, and soil moisture. In addition to these sophisticated mechanisms, very high resolution databases, including elevation, soil properties, and vegetation cover are utilized. The DREAM model was modified to use pollen sources instead of dust (PREAM). Pollen release will be estimated based on satellite-derived phenology of Juniperus spp. communities. The MODIS surface reflectance product (MOD09) will provide information on the start of the plant growing season, growth stage, peak greenness, dry-down and pollen release. Ground based observational records of pollen release timing and quantities will be used as verification. Techniques developed using MOD09 surface reflectance products will be directly applicable to the next generation sensors such as VIIRS. The resulting deterministic model for predicting and simulating pollen emission and downwind concentration to study details of phenology and meteorology and their dependencies. This information will be used to support the Centers for Disease Control and Prevention (CDC)'s National Environmental Public Health Tracking Program (EPHT) and the State of New Mexico environmental public health decision support for asthma and allergies alerts

Luvall, Jeffrey C.↗
DOE OSTI2025

Approach to Evaluating Reorganization Energies of Interfacial Electrochemical Reactions

Reaction rate coefficients for electron-transfer processes at the electrode–electrolyte interface are commonly estimated by using the Butler–Volmer equation, but their values are inaccurate beyond a few tenths of volts of overpotential. The Marcus–Hush–Chidsey (MHC) formalism yields correct asymptotic behavior of the rate coefficients vs applied overpotential but has complex dependencies on the redox system’s intrinsic parameters, which can be difficult to model or measure. In this work, we bridge the two kinetics formalisms to estimate the reorganization energy, one of the important parameters for the MHC formalism, and investigate its dependence on other intrinsic parameters such as activation barriers, electronic coupling strength, and the density of states of the electrode surface. We examine the sensitivity of the reorganization energy to these parameters, establish some general relationships for accurately predicting rate coefficients using the MHC formalism over a wide range of applied overpotentials, and compare this approach to calculating MHC rate constants with other empirical approaches for the mechanisms of CO 2 reduction on different metal electrode surfaces.

Butler−Volmer↗
DOE OSTI2022

High-temperature phonon-mediated superconductivity in monolayer Mg 2 B 4 C 2

A two-dimensional material – Mg 2 B 4 C 2 , belonging to the family of the conventional superconductor MgB 2 , is theoretically predicted to exhibit superconductivity with critical temperature T c estimated in the 47–48 K range (predicted using the McMillian-Allen-Dynes formula) without any tuning of external parameters such as doping, strain, or substrate-induced effects. The origin of such a high intrinsic T c is ascribed to the presence of strong electron-phonon coupling and large density of states at the Fermi level. This system is obtained after replacing the chemically active boron-boron surface layers in a MgB 2 slab by chemically inactive boron-carbon layers. Hence, the surfaces of this material are inert. Our calculations confirm the stability of 2D Mg 2 B 4 C 2 . We also find that the key features of this material remain essentially unchanged when its thickness is increased by modestly increasing the number of inner MgB 2 layers.

36 MATERIALS SCIENCE↗