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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Numerical Investigation of the characteristics of pressurized biomass-oxy-combustion

As a second generation of oxy-fuel combustion technologies, pressurized oxy-combustion has a potential to improve the process efficiency and economy. With the modern decarbonization needs, biomass combustion is considered to be nearly CO2 neutral, and thus co-firing biomass with coal in an oxy-combustion process can achieve a negative CO2 balance. The size of the biomass fuel particles is a key parameter in an entrained flow combustor because large biomass particles, exceeding some threshold size, may only partially be burnt due to the restrictions on the heat transport, thereby diminishing the combustion efficiency. While such a threshold particle size has been scrutinized at an atmospheric pressure, the present study extends the analysis to elevated pressures. Specifically, two scenarios were set up, for experimental-scale and full-scale pressurized oxy-combustors, with the threshold sizes of biomass particles appearing 0.5 mm and 5 mm, respectively, without temperature gradient in biomass particles. With temperature gradient, the parametric study included the particles in the range from 0.15 mm to 5 mm. It is shown that the thermal-thin model is applicable to spherical biomass particles not exceeding 0.15 mm. The impact of the heating rate on biomass particle devolatilization was also investigated and the biomass devolatilization could happen in less than 1 second; the same amount of heat energy could induce different volatile release rates.

Li, Lei↗
DOE OSTI2020

The Straightening of a River Meander Leads to Extensive Losses in Flow Complexity and Ecosystem Services

To assist river restoration efforts we need to slow the rate of river degradation. This study provides a detailed explanation of the hydraulic complexity loss when a meandering river is straightened in order to motivate the protection of river channel curvature. We used computational fluid dynamics (CFD) modeling to document the difference in flow dynamics in nine simulations with channel curvature (C) degrading from a well-established tight meander bend (C = 0.77) to a straight channel without curvature (C = 0). To control for covariates and slow the rate of loss to hydraulic complexity, each of the nine-channel realizations had equivalent bedform topography. The analyzed hydraulic variables included the flow surface elevation, streamwise and transverse unit discharge, flow velocity at streamwise, transverse, and vertical directions, bed shear stress, stream function, and the vertical hyporheic flux rates at the channel bed. The loss of hydraulic complexity occurred gradually when initially straightening the channel from C = 0.77 to C = 0.33 (i.e., the radius of the channel is three-times the channel width), and additional straightening incurred rapid losses to hydraulic complexity. Other studies have shown hydraulic complexity provides important riverine habitat and is positively correlated with biodiversity. This study demonstrates how hydraulic complexity can be gradually and then rapidly lost when unwinding a river, and hopefully will serve as a cautionary tale.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Forced Patterns of Sea Level Rise in the Community Earth System Model Large Ensemble From 1920 to 2100

To provide context for observed sea level rise, the forced response (FR) in dynamic sea level (DSL) during the 20th and 21st centuries is examined in the Community Earth System Model Large Ensemble (LE). After accounting for simulation drift, which in the LE is sizable, the DSL FR is found to be complex, both in space and time. Its evolving character is suggested to arise from both the diversity and transient evolution of climate forcing agents and the slow adjustment timescales of the intermediate and deep oceans. Nonetheless, various intervals of spatially coherent change simulated for the recent past and near future are identified, and their characteristics and associated driving mechanisms are identified and discussed. The mid- to late-20th century DSL FR is characterized by an hemispherically asymmetric pattern of change, with depressed rates of rise in the northern oceans. There is also a dipole of change in the Southern Ocean caused by changes in near-surface zonal winds. Through the late 20th and early 21st centuries, a different pattern of rise emerges with elevated rates in the tropics and depressed rates at high latitudes. Zonal and interbasin variations characterize both intervals and involve the pattern and depth of anomalous ocean heat content storage and spatial contrasts in the expansion coefficient tied mainly to base state temperature, with greater rates of rise in warm regions per unit warming. Finally, the relative roles of surface flux and ocean convergence anomalies are examined.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Plausibility of the Formose Reaction in Alkaline Hydrothermal Vent Environments

Prebiotic processes required a reliable source of free energy and complex chemical mixtures that may have included sugars. The formose reaction is a potential source of those sugars. At moderate to elevated temperature and pH ranges, these sugars rapidly decay. Here it is shown that CaCO 3 -based chemical gardens catalyze the formose reaction to produce glucose, ribose, and other monosaccharides. These thin inorganic membranes are explored as analogs of hydrothermal vent materials—a possible place for the origin of life—and similarly exposed to very steep pH gradients. Supported by simulations of a simple reaction-diffusion model, this study shows that such gradients allow for the dynamic accumulation of sugars in specific layers of the thin membrane, effectively protecting formose sugar yields. Furthermore, the formose reaction may be a plausible prebiotic reaction in alkaline hydrothermal vent environments, possibly setting the stage for an RNA world.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Tendencies of enhanced electronic nematicity in the Hubbard model and a comparison with Raman scattering on high-temperature superconductors

The pseudogap regime of the cuprate high-temperature superconductors is characterized by a variety of competing orders, the nature of which are still widely debated. Recent experiments have provided evidence for electron nematic order, in which the electron fluid breaks rotational symmetry while preserving translational invariance. Raman spectroscopy, with its ability to symmetry resolve low energy excitations, is a unique tool that can be used to assess nematic fluctuations and nematic ordering tendencies. Here we compare results from determinant quantum Monte Carlo simulations of the Hubbard model to experimental results from Raman spectroscopy in La 2-x Sr x CuO 4 , which show a prominent increase in the B 1g response around 10% hole doping as the temperature decreases, indicative of a rise in nematic fluctuations at low energy. Finally, our results support a picture of nematic fluctuations with B 1g symmetry occurring in underdoped cuprates, which may arise from melted stripes at elevated temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

PELICAN Design, Test Planning, and Commissioning Results

To support design efforts for the Versatile Test Reactor (VTR) core assemblies, an experimental facility has been designed and constructed at Argonne National Laboratory to match the hydraulic flow conditions within the VTR’s primary heat transport system (PHTS). This facility, the Pressure drop Experimental Loop for Investigations of Core Assemblies in advanced Nuclear reactors, PELICAN, provides the ability to measure pressure drop across a full-scale fuel assembly containing prototypic axial reflectors, fuel, and plena components. The PELICAN facility was designed and built to offer maximum flexibility, allowing testing from short sub-sections all the way to the full-length core fuel assemblies. The report presents the high-level program objectives, a summary of the facility design, instrumentation, and control systems, and the testing procedure. The outcomes from facility characterization efforts and first test matrix results are then presented and then, finally, the conclusion contains a summary of the future work to be performed. This test facility was designed to match the hydraulic conditions of the flowing sodium in the VTR using water as a surrogate fluid. To do so, the water is elevated to a temperature of 110°C where its viscosity matches that of sodium, and with a 50-HP centrifugal pump, is capable of generating full scale flow rates to achieve prototypic Reynolds and Euler number flow conditions. To prevent boiling, the system is maintained at elevated pressure of at least 2.7-3.0 bar (40-44 psig). A set of 15 tests have been used to perform checkout activities in order to commission the device, survey the capabilities of PELICAN, and generate experimental data at isothermal conditions and over a range of flow rates up to 44 kg/s (700 GPM) to produce datasets used in the verification and validation of VTR design and modeling efforts. Initial testing focused on facility characterization, which assessed the operational capabilities of various control systems. The thermal control system was qualified, including the thermal response of the loop to the heat added by self- and auxiliary heaters, the chiller and heat exchanger systems for removing excess heat, and their coupled ability to maintain steady-state isothermal conditions as desired. Additionally, the pressure control system was verified to ensure necessary operating environments that promote pump health and prevent boiling of loop inventory at high temperatures could be met. With these systems in place, the first set of matrix tests have been carried out using orifice plates with inner diameters of 2.25-inches and 2.5-inches. Orifice plate flow behavior is well covered in scientific literature, and the results find good agreement with the measured pressure drop vs flow rate and those of theoretical predictions. This initial testing not only helps to validate the experiment, but it also produces a high quality data set for a geometry that is easily reproducible for simulations. Finally, the report is concluded with a discussion of the work to come and provides a snapshot of the test articles in the experimental pipeline whose designs are being inspired by the current designs from the VTR.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

AN ACID BAKING APPROACH TO ENHANCE RARE EARTH ELEMENT RECOVERY FROM BITUMINOUS COAL SOURCES

Rare earth elements (REE) are a group of 17 elements typically classified as light and heavy rare earth elements, which play a crucial role in developing the latest technologies for energy, defense, and medical sectors. Even though REEs have been found in more than 200 minerals, only bastnaesite, monazite and xenotime are commercially exploited for REE extraction. However, the recent exponential increase in REE demand has spurred countries such as the United States into research for the extraction of REEs from secondary sources such as coal, acid mine drainage, and coal ash. Several coal sources (e.g., Fire Clay seam coal) across the United States have been identified to contain elevated concentrations of rare earth elements (>600 ppm), and various researchers have investigated the feasibility of both physical and hydrometallurgical extraction techniques for rare earth concentration and subsequent extraction. However, both physical and direct leaching were concluded to be inefficient for RE beneficiation and extraction due to low recoveries. Alternatively, thermal treatment provides promising means for RE recovery from bituminous coal sources. The positive impact of thermal treatment/calcination was established to be due to the decarbonization and dehydroxylation of the clays, which released entrapped rare earth elements within the dominant minerals and converted them into an acid-soluble form. Nonetheless, the improvement in recovery was limited to the light REEs (LREEs) with an insignificant increase in the heavy REEs (HREE). It was demonstrated that the light and heavy REEs in the material were associated with difficult-to-leach minerals such as monazite, xenotime, and zircon, which were not decomposed by simple calcination due to their high thermal stability. Hence, roasting in the presence of chemicals was necessary to ensure the decomposition of those REE-containing minerals. As such, this study was focused on the acid baking treatment of bituminous coals with an aim to enhance REE recovery, especially HREEs. Based on the presence of REE minerals like monazite and xenotime, three pre-leach treatment methods, i.e., 1) roasting, 2) direct acid baking, and 3) acid baking after roasting were investigated. Roasting tests at 600 ⁰C revealed that the recovery of light REEs (LREEs) was enhanced while the recovery of HREEs remained relatively unaffected. LREE and HREE recovery values of 38.3% and 21.3%, respectively, were achieved using a 50 g/L sulfuric acid solution at 5% solid concentration and a solution temperature of 75 ⁰C for 2 hours. Comparatively, direct acid baking at 250 °C provided substantial increased LREE and HREE recovery values to approximately 49.4% and 53.0%, respectively, using an equivalent acid dosage. Recoveries were maximized to 77.0% and 79.6% for LREE and HREE, respectively, by roasting followed by acid baking. Similar results were obtained from the treatment of a second bituminous coal source. Due to strong correlations between REE and Al recovery values, tests were performed on kaolinite and illite, which were prominent clay minerals within the source coals. These experiments revealed that the REE recovery improvements were likely a result of dehydroxylation of clays and subsequent release and decomposition of REE-bearing minerals such as monazite, xenotime and zircon. Subsequently, a parametric study was conducted to identify the impact of acid baking parameters on rare earth element recovery. The factors investigated using a three-level statistical experimental program were acid baking time, acid solution concentration, baking temperature, and acid solution-to-solids ratio which were found to significantly impact REE and contaminant element (Al, Fe, and Ca) recovery. An increase in baking temperature up to around 250 ⁰C improved the light and heavy REE recovery values by more than 50 absolute percentage points relative to performances achieved when direct leaching. As aforementioned, acid baking was needed to both decompose the clay minerals and liberate the REE minerals, which allowed access for the acid to solubilize the REEs. Acid concentration of the solution used for acid baking was studied as a means of minimizing the amount of acid needed to achieve a target REE recovery. However, thermo-gravimetric and differential scanning calorimetry analysis (TGA-DSC) of sulfuric acid under oxidizing atmosphere revealed that the addition of water decreased the evaporation temperature, which explains the lower REE recovery values obtained when using acid concentrations less than 100%. Using pure sulfuric acid at an acid-to-solid ratio of 0.8:1 resulted in recovery values of around 70% for both LREEs and HREEs. The decomposition reaction time was relatively quick with 65% of the TREEs recovered within the first 10 minutes. Following the identification of optimum operating conditions through the parametric study, a systematic leaching study was carried out to examine the impact of leaching parameters, such as solid-to-liquid (S/L) ratio, temperature, and time, on REE recovery using acid baking conditions of 1:1 acid to solids ratio at 250 °C for 30 minutes. The solid-to-liquid ratio was varied from 1-20% by weight at 25 °C, 50 °C, and 75 °C solution temperatures. The results indicated that reaction time and solution temperature considerably impacted the recovery of heavy and light REEs. Interestingly, LREE recovery reduced from 68% at 5% S/L to 58% at 20%S/L, whereas HREE recovery of 78% remained unaffected. The decrease in the LREE recovery was determined to be due to La and Ce precipitation, likely through isomorphic substitution with calcium in gypsum. The kinetic data indicated that 67% LREE and 77% HREE recovery could be obtained within the first 15 minutes of the reaction, suggesting fast reaction kinetics. Furthermore, raising the solution temperature from 25 °C to 75 °C increased the LREE and HREE recovery from 60% and 32% to 67% and 79%, respectively. The kinetic modeling results demonstrated that the rate-limiting step in the LREE dissolution was diffusion and chemical reaction, whereas the HREE extraction was controlled by only chemical reaction. The leaching study concluded that using 20% S/L at 75 °C for 15 minutes maximized LREE and HREE recovery. The lab-scale precipitation study showed that Fe and Al in solution could be removed at pH 4.5 followed by REE precipitation at pH 6.0 using 6 mol/L NaOH. Finally, the bench-scale data was used to develop a process flowsheet for REE recovery from low-grade bituminous coal sources using acid baking. Finally, based on the proposed flowsheet, a concentrated RE-cake obtained through selective precipitation at pH 6.5 was re-leached using HCl at pH 1.5. The resultant leachate was used to identify the impact of various operating parameters on REE recovery and purity with an aim to maximize REE precipitation efficiency while minimizing the oxalic acid dosage. The operating parameters for this investigation were oxalic acid dosage, iron (III) contamination, solution pH and temperature. The resultant model suggested that oxalic acid dosage and reaction pH are the most significant factors for the REE precipitation efficiency, followed by the interaction of oxalic dosage and Fe concentration. Test results indicated that increasing the oxalic acid concentration from 0g/L to 80g/L improved the REE precipitation efficiency from approximately 4.2% to 95.0%. Furthermore, raising the solution pH from 0.5 to 2.5 considerably enhanced the precipitation efficiency from 0.0% to 98.9%. A solution temperature elevation decreased REE recovery, which indicated an exothermic reaction between REEs and oxalate anions. Finally, a high level of Fe contamination adversely impacted REE precipitation efficiency. The speciation analysis revealed that the dominant iron species in the solution system were Fe-(C₂O₄)₃³⁻, Fe-(C₂O₄)²⁻, and Fe-(C₂O₄)⁺, which consumed the majority of the oxalate anions

rare earth elements, acid baking, high-temperature↗
DOE OSTI2021

Transport and chemistry of isoprene and its oxidation products in deep convective clouds

Deep convective clouds can transport trace gases from the planetary boundary layer into the upper troposphere where subsequent chemistry may impact aerosol particle formation and growth. In this modelling study, we investigate processes that affect isoprene and its oxidation products injected into the upper troposphere by an isolated deep convective cloud in the Amazon. We run a photochemical box model with coupled cloud microphysics along hundreds of individual air parcel trajectories sampled from a cloud-resolving model simulation of a convective event. The box model simulates gas-phase chemical reactions, gas scavenging by liquid and ice hydrometeors, and turbulent dilution inside a deep convective cloud. The results illustrate the potential importance of gas uptake to anvil ice in regulating the intensity of the isoprene oxidation and associated low volatility organic vapour concentrations in the outflow. Isoprene transport and fate also depends on the abundance of lightning-generated nitrogen oxide radicals (NO x = NO + NO 2 ). If gas uptake on ice is efficient and lightning activity is low, around 30% of the boundary layer isoprene will survive to the cloud outflow after approximately one hour of transport, while all the low volatile oxidation products will be scavenged by the cloud hydrometeors. If lightning NO x is abundant and gas uptake by ice is inefficient, then all isoprene will be oxidised during transport or in the immediate outflow region, while several low volatility isoprene oxidation products will have elevated concentrations in the cloud outflow. Reducing uncertainties associated with the uptake of vapours on ice hydrometeors, especially HO 2 and oxygenated organics, is essential to improve predictions of isoprene and its oxidation products in deep convective outflows and their potential contribution to new particle formation and growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Interstitialcy-mediated transport in Hematite

Defect transport mechanisms drive the performance of materials in both energy storage and energy generating systems. Iron oxide systems are of particular interest with use cases in both realms. Previous studies of a-Fe2O3 (hematite) determined that the primary point defects at elevated temperature are O vacancies and Fe interstitials, and these defects determine transport rates at temperatures >850°C. However, in advanced nuclear reactor designs, operating temperatures will range between 400-800°C. In this study, we utilize isotopic tracers and the nanoscale resolution of atom probe tomography to determine diffusivities at lower temperatures relevant to nuclear energy generating systems. Supported by a density functional theory informed rate theory model, we find a change from vacancy to interstitialcy-mediated transport < 800°C in the anion lattice.

Yano, Kayla H.↗
DOE OSTI2021

Hysteresis Patterns of Watershed Nitrogen Retention and Loss Over the Past 50 years in United States Hydrological Basins

Patterns of watershed nitrogen (N) retention and loss are shaped by how watershed biogeochemical processes retain, biogeochemically transform, and lose incoming atmospheric deposition of N. Loss patterns represented by concentration, discharge, and their associated stream exports are important indicators of integrated watershed N retention behaviors. We examined continental United States (CONUS) scale N deposition (e.g., wet and dry atmospheric deposition), vegetation trends, and stream trends as potential indicators of watershed N-saturation and retention conditions, and how watershed N retention and losses vary over space and time. By synthesizing changes and modalities in watershed nitrogen loss patterns based on stream data from 2200 U.S. watersheds over a 50 years record, our work revealed two patterns of watershed N-retention and loss. One was a hysteresis pattern that reflects the integrated influence of hydrology, atmospheric inputs, land-use, stream temperature, elevation, and vegetation. The other pattern was a one-way transition to a new state. We found that regions with increasing atmospheric deposition and increasing vegetation health/biomass patterns have the highest N-retention capacity, become increasingly N-saturated over time, and are associated with the strongest declines in stream N exports—a pattern, that is, consistent across all land cover categories. We provide a conceptual model, validated at an unprecedented scale across the CONUS that links instream nitrogen signals to upstream mechanistic landscape processes. Our work can aid in the future interpretation of in-stream concentrations of DOC and DIN as indicators of watershed N-retention status and integrators of watershed hydrobiogeochemical processes.

58 GEOSCIENCES↗
DOE OSTI2021

The effect of increasing temperature on crop photosynthesis: from enzymes to ecosystems

Abstract As global land surface temperature continues to rise and heatwave events increase in frequency, duration, and/or intensity, our key food and fuel cropping systems will likely face increased heat-related stress. A large volume of literature exists on exploring measured and modelled impacts of rising temperature on crop photosynthesis, from enzymatic responses within the leaf up to larger ecosystem-scale responses that reflect seasonal and interannual crop responses to heat. This review discusses (i) how crop photosynthesis changes with temperature at the enzymatic scale within the leaf; (ii) how stomata and plant transport systems are affected by temperature; (iii) what features make a plant susceptible or tolerant to elevated temperature and heat stress; and (iv) how these temperature and heat effects compound at the ecosystem scale to affect crop yields. Throughout the review, we identify current advancements and future research trajectories that are needed to make our cropping systems more resilient to rising temperature and heat stress, which are both projected to occur due to current global fossil fuel emissions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

The collapse of the Cordilleran–Laurentide ice saddle and early opening of the Mackenzie Valley, Northwest Territories, Canada, constrained by 10 Be exposure dating

Deglaciation of the northwestern Laurentide Ice Sheet in the central Mackenzie Valley opened the northern portion of the deglacial Ice-Free Corridor between the Laurentide and Cordilleran ice sheets and a drainage route to the Arctic Ocean. In addition, ice sheet saddle collapse in this section of the Laurentide Ice Sheet has been implicated as a mechanism for delivering substantial freshwater influx into the Arctic Ocean on centennial timescales. However, there is little empirical data to constrain the deglaciation chronology in the central Mackenzie Valley where the northern slopes of the ice saddle were located. Here, we present 30 new 10Be cosmogenic nuclide exposure dates across six sites, including two elevation transects, which constrain the timing and rate of thinning and retreat of the Laurentide Ice Sheet in the area. Our new 10Be dates indicate that the initial deglaciation of the eastern summits of the central Mackenzie Mountains began at ~15.8 ka (17.1–14.6 ka), ~1000 years earlier than in previous reconstructions. The main phase of ice saddle collapse occurred between ~14.9 and 13.6 ka, consistent with numerical modelling simulations, placing this event within the Bølling–Allerød interval (14.6–12.9 ka). Our new dates require a revision of ice margin retreat dynamics, with ice retreating more easterly rather than southward along the Mackenzie Valley. In addition, we quantify a total sea level rise contribution from the Cordilleran–Laurentide ice saddle region of ~11.2 m between 16 and 13 ka.

58 GEOSCIENCES↗
DOE OSTI2021

Phase Stability of Yttrium Titanium Oxide

This proposed study aims at elevating Idaho National Laboratory (INL)’s portfolio in nuclear material research on two major fronts: 1) expanding INL’s material characterization capabilities to provide holistic microstructural and microchemical characterization ranging from atomic scale to millimeter scale, and 2) filling the knowledge gap on the effect of microstructural evolution on material phase stability at extreme conditions resembling those inside nuclear reactors, using Yttrium-Titanium-Oxide (YTO) as a model material. Previous research indicated the kinetics of phase transition of YTO materials varies between bulk samples and powder samples, suggesting that microstructural characteristics such as defect, micro-strain, and crystallite size could play a significant role in phase transition. The effect of crystallite size on the thermodynamics of phase transition has been well documented for other ceramic materials at nanometer crystallite size, with potential impacts from surface and strain energy and defects. In this proposed study, we will perform microstructural (micro-strain, crystallite size, defects, phase) and microchemical (elemental mapping) analyses through in-situ high temperature measurements using X-ray diffraction (XRD; at millimeter scale for powder and bulk samples) and transmission electron microscopy (TEM, at nanometer scale and atomic scale for powder and thin foil samples), to provide a comprehensive view of the effect of microstructural and microchemical evolution on phase transition and phase stability of YTO materials. These findings will also establish a roadmap and provide new insights on the phase stability of other materials that are critical to nuclear energy and other renewable energy infrastructure. Besides advancing our understanding of this fundamental material science question, this project will also enable the development of state-of-the-art material characterization capabilities at INL/MFC for microstructural and microchemical analysis at high temperature conditions. The new collaboration between the High-Resolution Materials Characterization group at INL and the Electron Microscopy group at the University of Florida (UF) in this project will open the possibilities for more fruitful and synergetic cutting-edge nuclear material research in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Impacts of Topography-Based Subgrid Scheme and Downscaling of Atmospheric Forcing on Modeling Land Surface Processes in the Conterminous US

The effects of small-scale topography-induced land surface heterogeneity are not well represented in current Earth System Models (ESMs). In this study, a new topography-based subgrid structure referred to as topographic units (TGU) designed to better capture subgrid topographic effects, and methods to downscale atmospheric forcing to the land TGUs have been implemented in the Energy Exascale Earth System Model (E3SM) Land Model (ELM). Effects of the subgrid scheme and downscaling methods on ELM simulated land surface processes are evaluated over the conterminous United States (CONUS). For this purpose, ELM simulations are performed using two configurations without (NoD ELM) and with (D ELM) downscaling, both using TGUs derived for the 0.5-degree grids and the same land surface parameters. Simulations using the two ELM configurations are compared over the CONUS domain, regional levels, and at observational sites (e.g., SNOTEL). The CONUS-level results suggest that D ELM simulates more snowfall and snow water equivalent (SWE), higher runoff, and less ET during spring and summer. Regional-level results suggest more pronounced impacts of downscaling over regions dominated by higher elevation TGUs and regions with maximum precipitation occurring during cool seasons. Results at the SNOTEL sites suggest that D ELM has superior capability of reproducing the observed SWE at 83% of the sites, with more pronounced performance over topographically heterogeneous TGUs with their maximum precipitation occurring during cool seasons. The results highlight the importance of improving representation of small-scale surface heterogeneity in ESMs and motivate future research to understand their effects on land-atmosphere interactions, streamflow, and water resources management over mountainous regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Modeling and Analysis of the Transport and Disposal of Beryllium Moderator Blocks and Greater than Class C (GTCC) Waste

Radioactive waste in the United states is categorized based on its source, radioactivity, and security risk. The categorization method employed by the Nuclear Regulatory Committee (NRC) for low-level radioactive waste is not currently applied to any waste generated by the Department of Energy (DOE) or disposed of in DOE facilities. As a result, there is a large volume of DOE-generated waste with characteristics similar to the NRC’s “Greater than Class C” (GTCC) waste category which presently do not have a path for long-term disposal. Much of this waste cannot undergo the standard commercial disposition process due to it being categorized as Transuranic (TRU) waste under DOE guidelines, due to elevated concentrations of key fission products. Possible solutions to this dilemma are explored in the Environmental Impact Statement for the “Disposal of Greater-Than-Class-C Low Level Radioactive Wave” (EIS-0375). This paper analyzes several EIS possible paths for disposal for this “orphaned” waste. One example that highlights this categorization issue is the spent beryllium cladding that has been extracted from the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) throughout its operational lifetime. These beryllium blocks surround the reactor’s main chambers and components and serve as neutron moderators. This paper will use this particular waste form to analyze the economic and technological viability of transporting and storing this material under the storage and transportation criteria of the Waste isolation Pilot Plant (WIPP), which was deemed the most feasible disposition path according to the EIS. The example of this waste form used in this paper that highlights this categorization issue is the spent beryllium cladding extracted from Idaho National Laboratory’s (INL) Advanced Test Reactor (ATR). These beryllium blocks surround the reactor’s components and serve as neutron moderators, and thus have accumulated high concentration of high-activity transuranic isotopes. This paper analyzed the viability of transporting and storing this material under the storage and transportation criteria of the five primary disposition paths covered in EIS-0375. An array of calculations was carried out to assess the viability of the various disposition paths for the beryllium shipments as well as other waste shipments that fall within the GTCC category. Modeling with MCNP 6.2 was conducted to determine whether the beryllium blocks could be safely stored and transported within a 72-B cask; the standard shipping container for remote-handled, transuranic waste, while also meeting regulatory limits at various disposition paths. A cost analysis of the transportation and long-term disposal paths mentioned in the EIS was also carried out using available data and information from similar waste shipments. Lastly, a geochemical analysis of the various geological repository discussed in the EIS was also carried out using the Geochemists Workbench Release 14. Long-term disposal of the beryllium blocks at the Waste Isolation Pilot Plant (WIPP) proved to be the most cost-effective long-term disposition option of the ones considered in the EIS. A dose rate calculation at both contact and remote-handling distances indicate that the analyzed beryllium shipments should not exceed the exposure limits at any of the considered locations. Greater-than-class-C waste has been left in a regulatory state of limbo for years, resulting in backlogs of inventory across several research sites in the United States. Due to its high activity and presence of transuranic isotopes, it is imperative to ensure that it remains inaccessible and sequestered both in its short-term interim as well as a long-term geologic time scale. The information and assessments done in the paper could potentially serve as a reference for any future shipments of this waste form at the WIPP facility as well as other disposition paths that may be considered in the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

New insights into creep characteristics of calcium silicate hydrates at molecular level

The fundamental mechanisms under concrete creep are far from being fully understood, especially at the molecular level. Hereby, a calcium-silicate-hydrate (C-S-H) molecular model is developed to explain, for the first time, the creep characteristics at various stress states, temperature levels and water contents, which are not accessible experimentally. Rather tensile and compressive loadings, C-S-H only creeps under shear loadings originating from the sliding of the calcium silicate layers over each other as the interlayer component (water and ions) acts as a lubricator. A heterogeneous creep characteristic is observed. Elevated temperature reduces the interlayer lubricator viscosity and weakens the interfacial adhesion between the layers and the interlayer lubricator, which accelerates C-S-H creep. The removal of interlayer water enhances the creep resistance, resulting from the reduced interlayer space and enhanced interfacial adhesion. The atomic-level mechanisms explain the inter-CSH-particle behaviours at the microscale, which bridges the gap between atomistic simulation and microcosmic phenomenon.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Large seasonal fluctuations of groundwater radioiodine speciation and concentrations in a riparian wetland in South Carolina

Recent studies evaluating multiple years of groundwater radioiodine ( 129 I) concentration in a riparian wetland located in South Carolina, USA identified strong seasonal concentration fluctuations, such that summer concentrations were much greater than winter concentrations. These fluctuations were observed only in the wetlands but not in the upland portion of the plume and only with 129 I, and not with other contaminants of anthropogenic origin: nitrate/nitrite, strontium-90, technecium-99, tritium, or uranium. This unexplained observation was hypothesized to be the result of strongly coupled processes involving hydrology, water temperature, microbiology, and chemistry. To test this hypothesis, an extensive historical groundwater database was evaluated, and additional measurements of total iodine and iodine speciation were made from recently collected samples. During the summer, the water table decreased by as much as 0.7 m, surface water temperature increased by as much as 15 °C, and total iodine concentrations were consistently greater (up to 680%) than the following winter months. Most of the additional iodine observed in the summer could be attributed to proportional gains in organo-iodine, and not iodide or iodate. Furthermore, 129 I concentrations were observed to be two-orders-of-magnitude greater at the bottom of the upland aquifer than at the top. A coupled hydrological and biogeochemical conceptual model is proposed to tie these observations together. First, as the surface water temperature increased during the summer, microbial activity was enhanced, which in turn stimulated the formation of mobile organo-I. Hydrological processes were also likely involved in the observed iodine seasonal changes: (1) as the water table decreased in summer, the remaining upland water entering the wetland was comprised of a greater proportion of water containing elevated iodine concentrations from the low depths, and (2) water flow paths in summer changed such that the wells intercepted more of the contaminant plume and less of the diluting rainwater (due to evapotranspiration) and streamwater (as the lower levels promote a predominantly recharging system). Furthermore, these results underscore the importance of coupled processes influencing contaminant concentrations, and the need to assess seasonal contaminant variations to optimize long-term monitoring programs of wetlands.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Future Warming and Intensification of Precipitation Extremes: A “Double Whammy” Leading to Increasing Flood Risk in California

This study focuses on quantifying future anthropogenic changes in surface runoff associated with extreme precipitation in California's Sierra Nevada. The method involves driving a land surface model with output from a high resolution regional atmospheric simulation of the most extreme atmospheric rivers (ARs). AR events were selected from an ensemble of global climate model simulations of historical and late 21st century climate under the “high-emission” RCP8.5 scenario. Average precipitation during the future ARs increases by ~25% but a much lower proportion falls as snow. The resulting future runoff increase is dramatic—nearly 50%, reflecting both the precipitation increase and simultaneous conversion of snow to rain. The “double whammy” impact on runoff is largest in the 2,000–2,500 m elevation band, where the snowfall loss and precipitation increase are both especially large. Overall, this huge increase in runoff during the most extreme AR events could present major flood control challenges for the region.

54 ENVIRONMENTAL SCIENCES↗