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All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Guide to AERO2S and WINGDES Computer Codes for Prediction and Minimization of Drag Due to Lift

The computer codes, AER02S and WINGDES, are now widely used for the analysis and design of airplane lifting surfaces under conditions that tend to induce flow separation. These codes have undergone continued development to provide additional capabilities since the introduction of the original versions over a decade ago. This code development has been reported in a variety of publications (NASA technical papers, NASA contractor reports, and society journals). Some modifications have not been publicized at all. Users of these codes have suggested the desirability of combining in a single document the descriptions of the code development, an outline of the features of each code, and suggestions for effective code usage. This report is intended to supply that need.

Carlson, Harry W.↗
DOE OSTI2022

Holocene paleoclimate change in the western US: The importance of chronology in discerning patterns and drivers

We report sediment in lakes and meadows forms a powerful archive that can be used to reconstruct environmental change through time. Reconstructions of lake level, of chemical, biological, and hydrological conditions, and of surrounding vegetation provide detailed information about past climate conditions, both locally and regionally. Indeed, most of our current knowledge of centennial- to millennial-scale climate variability in the arid western United States, where information about past hydroclimate is particularly important, comes from such sediment-based reconstructions. The pressing need for robust, precise predictions of future conditions is a significant motivation for paleoclimate science, and current research questions frequently require Holocene reconstructions to be resolved at sub-centennial timescales. Increasingly, regional syntheses seek to identify synoptic-scale patterns similar to those defined from modern observations (seasonal, interannual, multi-decadal, etc.) or to compare with the output of climate model simulations. However, the age control on existing records, especially those more than about 20 years old, is often sufficient only for millennial-scale interpretation. Here we assess the age control for 84 published and unpublished records from lakes and meadows in the Great Basin, California, and desert southwest, and use Bayesian modeling to evaluate the 95% uncertainty ranges for the 42 best-dated records. In the Late Holocene, about half of the 42 records have <400-year mean uncertainty ranges; however, high-precision age control is especially critical for young records, used to develop an accurate understanding of a proxy’s response to known climate variations. In the Middle Holocene, records vary from 400 to >800-year mean uncertainty and records of the Early Holocene have 600- to >1400-year mean uncertainty ranges. We find that the largest control on modeled uncertainties is dating density, with at least 2 dates/kyr being optimal and suggest obtaining “range-finder” dates at the onset of a study to better predict the total number of dates needed for an adequate age model. Such a density avoids a commonly observed phenomenon of significant peaks in uncertainty arising in gaps between age control points. Analysis of the uncertainties associated with proxy shifts reveal that more than half are >400 years. Although such large uncertainties currently prevent sub-centennial interpretations in most cases, increased dating density, strategic use of limited funds (including budgeting for a 2 date/kyr minimum at the proposal stage), construction of age-depth models with Bayesian methods, and critical evaluation of chronological uncertainty will shed light on past climate variability at finer timescales, enhancing our understanding of global and regional drivers of western U.S. climate.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1998

Upper Limits of Predictability in Long-Range Climate/Hydrologic Forecasts

The accurate forecasting of el nino or la nina conditions in the tropical Pacific can potentially lead to valuable predictions of hydrological anomalies over land at seasonal to interannual timescales. Even with highly accurate earth system models, though, our ability to generate these continental forecasts will always be limited by the chaotic nature of the atmospheric circulation. The nature of this fundamental limitation is explored through the use of 16-member ensembles of multi-decade GCM simulations. In each simulation of the first ensemble, sea surface temperatures (SSTs) are given the same realistic interannual variations over a 45-year period, and land surface state is allowed to evolve with that of the atmosphere. Analysis of the results shows that the SSTs control the temporal organization of continental precipitation anomalies to a significant extent in the tropics and to a much smaller extent in midlatitudes. In each simulation of the second ensemble, we prescribe SSTs as before, but we also prescribe interannual variations in the low frequency component of evaporation efficiency over land. Thus, in the second ensemble, we effectively make the extreme assumption that surface boundary conditions across the globe are perfectly predictable, and we quantify the consistency with which the atmosphere (particularly precipitation) responds to these boundary conditions. The resulting "absolute upper limit" on the predictability of precipitation is found to be quite high in the tropics yet only moderate in many midlatitude regions.

Koster, R. D.↗
NASA NTRS2020

Large-Scale Influences on Atmospheric River–Induced Extreme Precipitation Events Along the Coast of Washington State

Transient, narrow plumes of strong water vapor transport, referred to as Atmospheric Rivers (ARs) are responsible for much of the precipitation along the west coast of the United States. Along the coast of Oregon and Washington, the most intense cool season precipitation events are almost always induced by an AR and can result in detrimental impacts on society due to mudslides and flooding. It is therefore important to understand the large scale influence on extreme AR events so that they can be accurately predicted on timescales ranging from numerical weather prediction to seasonal forecasts. Here, characteristics of ARs that result in observed extreme precipitation events are compared to typical ARs on the coast of Washington State using data from the Modern Era Retrospective analysis for Research and Applications, Version 2. In addition to more intense water vapor transport, notable differences in the synoptic scale forcing are present during extreme precipitation events that are not present during typical AR events. In particular, an anomalously deep low pressure system is stationed to the west in the Gulf of Alaska, alongside a jet streak overhead. Attention will also be given to subseasonal and seasonal teleconnection patterns that are known to influence the weather in the Pacific Northwest of the United States. While little influence can be seen from the phase of the El Nino Southern Oscillation, Pacific Decadal Oscillation, and Pacific North American Pattern, the Madden Julian Oscillation (MJO) can play a role in determining the strength of precipitation associated with in AR on the Washington Coast. Lastly, interactions between the MJO and other teleconnection patterns will be explored to determine key features that should be investigated when making subseasonal predictions for AR activity and the associated precipitation in the Pacific Northwest.

Collow, Allison↗
DOE OSTI2024

Old-Aged groundwater contributes to mountain hillslope hydrologic dynamics

Understanding connectivity between the soil and deeper bedrock groundwater is needed to accurately predict a watershed’s response to perturbation, such as drought. Yet, the bedrock groundwater dynamics in mountainous environments are typically under-constrained and excluded from watershed hydrologic models. Here, we investigate the role of groundwater characterized with decadal and longer water ages on the hydrologic and mass-transport processes within a steep snow-dominated mountain hillslope in the Central Rocky Mountains (USA). We quantify subsurface and surface water mass-balance, groundwater flowpaths, and age distributions using the ParFlow-CLM integrated hydrologic and EcoSLIM particle tracking models, which are compared to hydrometric and environmental tracer observations. An ensemble of models with varied soil and hydrogeologic parameters reproduces observed groundwater levels and century-scale mean ages inferred from environmental tracers. The numerical models suggest soil water near the toe of the hillslope contains considerable (>60 % of the mass-flux) contributions from bedrock flowpaths characterized with water ages >10 years. Flowpath connectivity between the deeper bedrock and soil systems is present throughout the year, highlighting the potentially critical role of groundwater with old ages on processes such as evapotranspiration and streamflow generation. The coupled numerical model and groundwater age observations show the bedrock groundwater system influences the hillslope hydrodynamics and should be considered in mountain watershed conceptual and numerical models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Enhanced matter power spectrum from axion kination after Big Bang nucleosynthesis

Despite stringent constraints from Big Bang Nucleosynthesis (BBN) and cosmic microwave background (CMB) observations, it is still possible for well-motivated particle physics models to substantially alter the cosmic expansion history between BBN and recombination. In this work we consider two different axion models that can realize a period of first matter domination, then kination, in this epoch. We perform fits to both primordial element abundances as well as CMB data and determine that up to a decade of late axion domination is allowed by these probes of the early universe. We establish the implications of late axion domination for the matter power spectrum on the scales 1/Mpc ≲ k ≲ 10 3 /Mpc. Our 'log' model predicts a relatively modest bump-like feature together with a small suppression relative to the standard ΛCDM predictions on either side of the enhancement. Our 'two-field' model predicts a larger, plateau-like feature that realizes enhancements to the matter power spectrum of up to two orders of magnitude. These features have interesting implications for structure formation at the forefront of current detection capabilities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Quasiaperiodic grain boundary phases of Σ⁢5 tilt grain boundaries in refractory metals

We report ground-state structures and phase transitions in Σ⁢5⁢[001] tilt grain boundaries (GBs) in body-centered-cubic (bcc) refractory metals Nb, Ta, Mo, and W. Σ⁢5 tilt GBs have been extensively investigated over the past several decades, with their ground-state structure—composed of kite-shaped structural units—previously thought to be well understood. By performing a rigorous GB structure search that optimizes the number of atoms in the boundary core, we predict different quasiaperiodic “split kite” phases analogous to those previously found in GBs in face-centered-cubic metals. Furthermore, our results suggest that complex aperiodic phases of GBs appear to be a general phenomenon, as validated through density functional theory calculations. Moreover, the atoms in the split kite phase demonstrate distinct collective diffusion dynamics. Phase-contrast image simulations of split kites show better agreement with experimental observations, offering an alternative explanation for previous microscopy results and motivating future atomically resolved imaging of the GB structure.

Body-centered cubic↗
DOE OSTI2021

Expanded Capabilities and Opportunities for Virtual Beamline Code

In the 25 years since LLNL broke ground on the National Ignition Facility (NIF) - a cornerstone of the National Nuclear Security Administration’s Stockpile Stewardship Program - the NIF and Photon Science (NIF&PS) Directorate has steadily pushed the boundaries of laser physics, nonlinear optics, and photonics in service of inertial confinement fusion experiments, and advanced photon sources development. Beyond the 192 beamlines of the primary laser facility with its world-record energy and fusion yields, NIF&PS capabilities have expanded to include chirped-pulse amplification, kilojoule petawatt-class short-pulse systems to generate hard x-ray radiographic probes, high-average power lasers as secondary sources for generation or wake field particle acceleration along directed energy applications, and other scientific pursuits. The Computing Directorate partners with NIF&PS on numerous projects and technologies from diagnostic measurements and high performance control systems to data analysis, information technology infrastructure, and scientific simulation code development. “This strong collaboration enables cutting-edge science, particularly with regard to physics-based modeling and simulation,” says physicist Jean-Michel Di Nicola. One crucial capability for NIF&PS is the Virtual Beamline (VBL) laser simulation code. It can model all the major laser physics and technology involved in the design optimization, commissioning, and operations of advanced laser architectures from tabletop to NIF-scale. VBL provides researchers with high-fidelity models and high-resolution calculations of laser performance predictions—including for the entire NIF laser system, the Advanced Radiographic Capability, parts of the High Repetition-Rate Advanced Petawatt Laser System laser delivered to the Czech Republic, and the Optical Science Laser. After more than two decades of experimentally verified physics and computing enhancements, this unique workhorse code is wrapping up another major milestone: migration from Java to C++ with a flurry of user interface and optimization features, as well as laser physics and high-resolution enhancements thanks to parallel execution on Livermore Computing platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2011

Photogrammetric Characterization of a Brownout Cloud

Brownout is a dangerous problem for rotorcraft operating in arid and dusty environments such as the current operating theaters in Iraq and Afghanistan. Although the interest in brownout has increased in the past decade, the fundamental physics that govern the shape and size of the cloud are not yet well understood. Many computational and scaled experimental studies have been performed in an attempt to further this understanding and to simulate and predict the brownout cloud formation. However, the phenomenon significantly lacks experimental data, particularly at full-scale, which is needed to help validate the brownout simulations being performed. In an effort to increase the data set needed for this validation, tests were performed at the US Army Yuma Proving Ground using photogrammetry to obtain brownout cloud data of an EH-60L Black Hawk. Particle testing was performed on a sample of sand from the landing zone to gain more understanding on the nature of the soil. The photogrammetry technique applied to obtaining data on the formation and evolution of a brownout cloud was verified in an earlier study. The data for a landing approach was examined in greater detail and enabled velocity components of points on the cloud to be determined, as well as the dimensions of structures within the cloud.

Tanner, Philip E.↗
NASA NTRS2012

Temporal Variability of Observed and Simulated Hyperspectral Earth Reflectance

The Climate Absolute Radiance and Refractivity Observatory (CLARREO) is a climate observation system designed to study Earth's climate variability with unprecedented absolute radiometric accuracy and SI traceability. Observation System Simulation Experiments (OSSEs) were developed using GCM output and MODTRAN to simulate CLARREO reflectance measurements during the 21st century as a design tool for the CLARREO hyperspectral shortwave imager. With OSSE simulations of hyperspectral reflectance, Feldman et al. [2011a,b] found that shortwave reflectance is able to detect changes in climate variables during the 21st century and improve time-to-detection compared to broadband measurements. The OSSE has been a powerful tool in the design of the CLARREO imager and for understanding the effect of climate change on the spectral variability of reflectance, but it is important to evaluate how well the OSSE simulates the Earth's present-day spectral variability. For this evaluation we have used hyperspectral reflectance measurements from the Scanning Imaging Absorption Spectrometer for Atmospheric Cartography (SCIAMACHY), a shortwave spectrometer that was operational between March 2002 and April 2012. To study the spectral variability of SCIAMACHY-measured and OSSE-simulated reflectance, we used principal component analysis (PCA), a spectral decomposition technique that identifies dominant modes of variability in a multivariate data set. Using quantitative comparisons of the OSSE and SCIAMACHY PCs, we have quantified how well the OSSE captures the spectral variability of Earth?s climate system at the beginning of the 21st century relative to SCIAMACHY measurements. These results showed that the OSSE and SCIAMACHY data sets share over 99% of their total variance in 2004. Using the PCs and the temporally distributed reflectance spectra projected onto the PCs (PC scores), we can study the temporal variability of the observed and simulated reflectance spectra. Multivariate time series analysis of the PC scores using techniques such as Singular Spectrum Analysis (SSA) and Multichannel SSA will provide information about the temporal variability of the dominant variables. Quantitative comparison techniques can evaluate how well the OSSE reproduces the temporal variability observed by SCIAMACHY spectral reflectance measurements during the first decade of the 21st century. PCA of OSSE-simulated reflectance can also be used to study how the dominant spectral variables change on centennial scales for forced and unforced climate change scenarios. To have confidence in OSSE predictions of the spectral variability of hyperspectral reflectance, it is first necessary for us to evaluate the degree to which the OSSE simulations are able to reproduce the Earth?s present-day spectral variability.

Roberts, Yolanda↗
NASA NTRS2019

The Orbital Variation of Non-Thermal X-Ray Emission from eta Carinae

The collision of strong stellar winds in massive binary systems creates powerful shocks,which accelerates a small amount of particles to relativistic energies at the shock interface.This process is important in fundamental astrophysics in two ways;i) some particles may contribute to cosmic-rays observed around the Earth, whose origin is not well known, andii) it provides a good laboratory for particle acceleration physics as the shock occurs steadily in a predictable environment.Some relativistic particles collide with stellar photons or ambient material near the binary systemand emit non-thermal X-rays and gamma-rays, which are good probes of particle acceleration.This emission had been searched for decades but not found convincingly without sensitive high-energy telescopes.The NuSTAR telescope observed the enigmatic supermassive binary system eta Carinae multiple times after 2014 and found conclusive evidence of non-thermal emission from the star in the extremely hard X-ray band.This emission is prominent between 20-50 keV, below which thermal emission from shock colliding plasma dominates.It is relatively stable throughout the binary orbit, but it disappears near periastron when the wind colliding activity shuts off.This variation indicates that the non-thermal X-ray emission originates from the head-on wind-wind collision.The flat spectrum is consistent with inverse-Compton of stellar UV photons by accelerated electrons.The spectrum smoothly connects to a gamma-ray spectrum of a Fermi source detected around eta Carinae,suggesting that acceleration occurs up to the GeV energy.This result provide the strongest evidence so far that particle acceleration occurs at the wind colliding shock of a massive colliding wind binary system.

Hamaguchi, Kenji↗
NASA NTRSDate not supplied

TPSAS-NF1676L-16988-DND

There has been renewed interest to uniformly recalibrate historical geostationary (GEO) data records to aid in climate monitoring. GEO sensors have annual repeatable angular sampling over a given location. The view angle is fixed and the imaging schedule is usually constant through its lifetime. Given the fact that colocated GEOs are always share the same sub-satellite point and maintain their imaging schedules provides repeatable angular sampling over decades. One of the biggest challenges in transferring a reference sensor calibration using invariant desert targets to another sensor is the accuracy of the bidirectional reflectance distribution function (BDRF). A well-calibrated GEO can be used to predict the daily exoatmospheric radiance model (DERM) over a desert target for a given GMT that is valid for any GEO sensor at the same location. The advantage of this method is that a BRDF is not needed. Another challenge of invariant target calibration is the unique spectra signature of the desert. However, since most GEOs are built in batches, the spectral response functions (SRF) are very similar for most historical GEOs, the spectral band adjustment factor (SBAF) between GEO sensors is much smaller than for MODIS and GEO sensors. Since the water vapor burden over the desert is seasonal, both the TOA and desert surface can be considered invariant for a given day of the year. The reference GEO can be inter-calibrated with MODIS or VIIRS, which have onboard visible calibration using solar diffusers, using other methods, such as ray-matching or deep convective clouds. Also the next generation GEOs will have onboard visible calibration, which will increase the accuracy of this method. Three Meteosats over the Libyan desert will be used to illustrate the DERM method. The reference Meteosat will be inter-calibrated against Aqua-MODIS. The reference GEO DERM will be constructed and used to calibrate the remaining Meteosats. The DERM calibration will be validated by comparing the calibration using Aqua-MODIS ray-matching. Similarly, two GOES sensors using the Sonoran desert will also be highlighted. An uncertainty analysis will also be performed with emphasis on the SBAF, derived over the desert targets using both SCIAMACHY and Hyperion hyper-spectral radiances.

David Doelling↗
DOE OSTI2021

Guidance for Monitoring Passive Groundwater Remedies Over Extended Time Scales

Passive remediation can be appropriate where natural processes and actions such as institutional controls mitigate exposure to contaminated groundwater, achieving remedial action objectives and protectiveness of human health and the environment. Monitored natural attenuation (MNA) is a prevalent passive remediation strategy supported by a regulatory framework and monitoring design guidance. However, long-term passive remedies are usually selected in combination with at least one active remedy, such as source removal, in situ treatment, or pump-and-treat, functioning as a complementary method for achieving remediation objectives and meeting the applicable statutory and regulatory requirements. However, MNA and existing monitoring guidance primarily target situations where the remedial action objectives are met within a few decades. When time scales for passive remediation extend to many decades (50 years or more), a corresponding change in monitoring strategy is needed to adapt to the extended time scale. This document provides guidance for implementing an extended-scale monitoring (ESM) approach appropriate for long-duration passive remediation. Extended-scale is defined in this document with respect to time (i.e., a long duration of remediation) and a large enough physical scale such that downstream receptors will not be impacted within the remediation timeframe. ESM applies to slow-moving groundwater contaminant plumes and emphasizes monitoring primarily for potential exposure pathways. For this approach, the primary monitoring objective is to demonstrate that the plume diminishes before reaching the receptor zone or point of compliance and/or a receptor does not receive concentrations above the compliance limit. While the overall objectives of protecting human health and the environment are the same as for plumes where remediation can occur over a shorter time period, the time scales between decisions are longer and the dynamics of plume evolution are slower. To this end, a scenario-based strategy is described for different plume and source conditions, defining a containment and receptor zones. The containment zone is the area where the risk of exposure to groundwater contamination can be mitigated (e.g., through institutional controls) during the remediation time period. The receptor zone is defined as the area where exposure to groundwater contamination cannot be mitigated and compliance concentration standards must be met. Within the containment zone, slow plume migration may occur, leading to concentrations that exceed compliance standards. However, where distance to the receptor zone is large relative to plume migration and attenuation rate, this approach can be protective of the receptor zone. Selection of a long-duration passive remedy needs to be based on sufficient understanding of contaminant sources, hydrogeology, and contaminant plumes. A strong technical basis, supported by predictive analysis, is recommended to substantiate that contamination is expected to stay within the containment zone during the active remediation and attainment phase of the remedy, and diminish to meet compliance standards within the extended timeframe prior to reaching the receptor zone (e.g., many decades or even centuries). The ESM approach is based on verification of plume behavior and not on detailed plume dynamics. Monitoring is conducted to confirm expected behavior with an emphasis on exposure pathways to verify that plumes remain contained in areas where the protectiveness objectives can be met. ESM should not be adopted if there is significant risk of the plume extending beyond the containment zone. Given the slow movement within the containment zone, less frequent sampling is required relative to approaches used for conventional-scale remediation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2012

The Next Landsat Satellite: The Landsat Data Continuity Mission

The Landsat program is one of the longest running satellite programs for Earth observations from space. The program was initiated by the launch of Landsat 1 in 1972. Since then a series of six more Landsat satellites were launched and at least one of those satellites has been in operations at all times to continuously collect images of the global land surface. The Department of Interior (DOI) U.S. Geological Survey (USGS) preserves data collected by all of the Landsat satellites at their Earth Resources Observation and Science (EROS) Center in Sioux Falls, South Dakota. This 40-year data archive provides an unmatched record of the Earth's land surface that has undergone dramatic changes in recent decades due to the increasing pressure of a growing population and advancing technologies. EROS provides the ability for anyone to search the archive and order digital Landsat images over the internet for free. The Landsat data are a public resource for observing, characterizing, monitoring, trending, and predicting land use change over time providing an invaluable tool for those addressing the profound consequences of those changes to society. The most recent launch of a Landsat satellite occurred in 1999 when Landsat 7 was placed in orbit. While Landsat 7 remains in operation, the National Aeronautics and Space Administration (NASA) and the DOI/ USGS are building its successor satellite system currently called the Landsat Data Continuity Mission (LDCM). NASA has the lead for building and launching the satellite that will carry two Earth-viewing instruments, the Operational Land Imager (OLI) and the Thermal Infrared Sensor (TIRS). The OLI will take images that measure the amount of sunlight reflected by the land surface at nine wavelengths of light with three of those wavelengths beyond the range of human vision. T1RS will collect coincident images that measure light emitted by the land surface as a function of surface temperature at two longer wavelengths well beyond the range of human vision. The DOI/USGS is developing the ground system that will command and control the LDCM satellite in orbit and manage the OLI and TIRS data transmitted by the satellite. DOI/USGS will thus operate the satellite and collect, archive, and distribute the image data as part of the EROS archive. DOI/USGS has committed to renaming LDCM as Landsat 8 following launch. By either name the satellite and its sensors will extend the 40-year archive with images sufficiently consistent with data from earlier Landsat satellites to allow multi-decadal, broad-area studies of our dynamic landscapes. The next Landsat satellite and ground system are on schedule for a January, 2013 launch.

Rons, James R.↗
DOE OSTI2025

Computational toolkit for predicting thickness of 2D materials using machine learning and autogenerated dataset by large language model

The thickness of 2D materials not only plays a crucial role in determining the performance of nanoelectronic and optoelectronic devices but also introduces complexities in predicting volume-dependent properties, such as energy storage capacity, due to the intrinsic vacuum within these materials. Although a plethora of experimental techniques, including but not limited to optical contrast, Raman spectroscopy, nonlinear optical spectroscopy, near-field optical imaging, and hyperspectral imaging, facilitate the measurement of 2D material thickness, comprehensive data for many materials remain elusive. Over the past decade, the exponential proliferation of 2D materials and their heterostructures has outstripped the capabilities of conventional experimental and computational approaches. In this evolving landscape, machine learning (ML) has emerged as an indispensable tool, offering a scalable approach to augment these traditional methodologies. Addressing the critical gap, we introduce THICK2D—Thickness Hierarchy Inference and Calculation Kit for 2D Materials. This Python-based computational framework harnesses an autogenerated thickness database, developed using large language models, and advanced ML algorithms to facilitate the rapid and scalable estimation of material thickness, relying solely on crystallographic data. To demonstrate the utility and robustness of THICK2D, we successfully used the toolkit to predict the thickness of more than 8000 2D-based materials, sourced from two extensive 2D materials databases. THICK2D is disseminated as an open-source utility, accessible on GitHub at https://github.com/gmp007/THICK2D, and archived on Zenodo at https://10.5281/zenodo.11216648.

Ekuma, Chinedu E. (ORCID:0000000258527556)↗
DOE OSTI2024

Design Solutes to Achieve Columnar-to-Equiaxed Transition and Grain Refinement in Cast Multi-principal-element Alloys

The multi-principal-element alloys (MPEAs), also referred to as high-entropy alloys (HEAs), have attracted extensive attention during the last decade and a half due to their unique and excellent properties. However, many MPEAs show coarse and anisotropic columnar grains in the as-cast state. While constitutional supercooling (CS)-driven parameters have been widely used to evaluate and predict the effect of solutes on columnar-to-equiaxed transition (CET) and grain refinement of diluted binary alloys, similar studies are lacking on MPEAs. Due to the multiple solute elements (solutes) and their high concentrations, the CS-driven parameters for MPEAs are different from those proposed for diluted binary alloys. Here, we derived the CS-driven parameters, including undercooling parameter and growth restriction factor, for MPEAs based on their physical significances, with the help of calculated phase diagrams. The calculated CS-driven parameters were then used to predict the effect of a solute on CET and grain refinement in NiCoFeCr MPEAs. Additional alloying solutes Nb, Ti, and V in the NiCoFeCr MPEA were also evaluated for their different CS-driven characteristics. In this study, the grain size of the as-solidified microstructures of NiCoFeCr with and without Nb, Ti, and V were compared and interpreted with the predicted tendency of the CS-driven parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Constraining Bedrock Groundwater Residence Times in a Mountain System With Environmental Tracer Observations and Bayesian Uncertainty Quantification

Groundwater residence time distributions provide fundamental insights on the hydrological processes within watersheds. Yet, observations that can constrain groundwater residence times over broad timescales remain scarce in mountain catchment studies. We use environmental tracers (CFC-12, SF 6 , 3 H, and 4 He) to investigate groundwater residence times along a hillslope in the East River Watershed, Colorado, USA. We develop a Bayesian inference framework that applies a Markov-chain Monte Carlo (MCMC) approach to estimate noble gas recharge temperature, elevation, and excess-air parameters and the resulting environmental tracer concentrations. MCMC is then used to propagate the environmental tracer uncertainties to estimates of groundwater mean residence times inferred with lumped parameter models. All samples contain 3 H, CFC-12, and SF 6 in addition to terrigenic 4 He, suggesting a mixture of water characterized by modern and premodern residence times. 4He exponential mean residence times range from hundreds of years at the upslope well to thousands of years at the toe-slope well assuming average crustal production rates. We find that binary mixing residence time distributions with separate young and old mixing fractions are needed to predict the 4 He, CFC-12, SF 6 , and 3 H observations, supporting the importance of flow path mixing in this bedrock system. Our findings that the fractured bedrock hosts groundwater with a mixture of residence times ranging from decades to millennia suggest variable recharge dynamics and flow path mixing along the hillslope and highlight the importance of characterizing groundwater systems with observations that are sensitive to transport over a broad range of residence times.

54 ENVIRONMENTAL SCIENCES↗