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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 OSTI2013

Evaluation of a Turbidity Meter for Use at the Defense Waste Processing Facility

Savannah River Remediation’s (SRR’s) Defense Waste Processing Facility (DWPF) Laboratory currently tests for sludge carry-over into the Recycle Collection Tank (RCT) by evaluating the iron concentration in the Slurry Mix Evaporator Condensate Tank (SMECT) and relating this iron concentration to the amount of sludge solids present. A new method was proposed for detecting the amount of sludge in the SMECT that involves the use of an Optek turbidity sensor. Waste Services Laboratory (WSL) personnel conducted testing on two of these units following a test plan developed by Waste Solidification Engineering (WSE). Both Optek units (SN64217 and SN65164) use sensor model AF16-N and signal converter model series C4000. The sensor body of each unit was modified to hold a standard DWPF 12 cc sample vial, also known as a “peanut” vial. The purpose of this testing was to evaluate the use of this model of turbidity sensor, or meter, to provide a measurement of the sludge solids present in the SMECT based upon samples from that tank. During discussions of the results from this study by WSE, WSL, and Savannah River National Laboratory (SRNL) personnel, an upper limit on the acceptable level of solids in SMECT samples was set at 0.14 weight percent (wt%). A “go/no-go” decision criterion was to be developed for the critical turbidity response, which is expressed in concentration units (CUs), for each Optek unit based upon the 0.14 wt% solids value. An acceptable or a “go” decision for the SMECT should reflect the situation that there is an identified risk (e.g. 5%) for a CU response from the Optek unit to be less than the critical CU value when the solids content of the SMECT is actually 0.14 wt% or greater, while a “no-go” determination (i.e., an Optek CU response above the critical CU value, a conservative decision relative to risk) would lead to additional evaluations of the SMECT to better quantify the possible solids content of the tank. Subsequent to the issuance of the initial version of this report but under the scope of the original request for technical assistance, WSE asked for this report to be revised to include the “go/no-go” CU value corresponding to 0.28 wt% solids. It was this request that led to the preparation of Revision 1 of the report. The results for the 0.28 wt% solids value were developed following the same approach as that utilized for the 0.14 wt% solids value. A sludge simulant was used to develop standards for testing both Optek units and to determine the viability of a “go/no-go” CU response for each of the units. Statistical methods were used by SRNL to develop the critical CU value for the “go/no-go” decision for these standards for each Optek unit. Since only one sludge simulant was available for this testing, the sensitivity of these results to other simulants and to actual sludge material is not known. However, limited testing with samples from the actual DWPF process (both SRAT product samples and SMECT samples) demonstrated that the use of the “go/no-go” criteria developed from the sludge simulant testing was conservative for these samples taken from the sludge batch, Sludge Batch 7b, being processed at the time of this testing. While both of the Optek units performed very reliably during this testing, there were statistically significant differences (although small on a practical scale) between the two units. Thus, testing should be conducted on any new unit of this Optek model to qualify it before it is used to support the DWPF operation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2011

Event-by-Event Evaluation of the Prompt Fission Neutron Spectrum From 239 Pu(n,f)

We have developed an improved evaluation method for the spectrum of neutrons emitted in fission of 239 Pu induced by incident neutrons with energies up to 20 MeV. The <v> covariance data, including incident energy correlations introduced by the <v> evaluation method, were used to fix the input parameters in our event-by-event model of fission, FREYA, by applying formal statistical methods. Formal estimates of uncertainties in the evaluation were developed by randomly sampling model inputs and calculating likelihood functions based on agreement with the evaluated <v>. Our approach is able to employ a greater variety of fission measurements than the relatively coarse spectral data alone. It also allows the study of numerous fission observables for more accurate model validation. The combination of an event-by-event Monte Carlo fission model with a statistical-likelihood analysis is thus a powerful tool for evaluation of fission-neutron data. Our empirical model FREYA follows the complete fission event from birth of the excited fragments through their decay via neutron emission until the fragment excitation energy is below the neutron separation energy when neutron emission can no longer occur. The most recent version of FREYA incorporates pre-equilibrium neutron emission, the emission of the first neutron before equilibrium is reached in the compound nucleus, and multi-chance fission, neutron evaporation prior to fission when the incident neutron energy is above the neutron separation energy. Energy, momentum, charge and mass number are conserved throughout the fission process. The best available values of fragment masses and total kinetic energies are used as inputs to FREYA. We fit three parameters that are not well under control from previous measurements: the shift in the total fragment kinetic energy; the energy scale of the asymptotic level density parameter, controlling the fragment 'temperature' for neutron evaporation; and the relative excitation of the light and heavy fragments, governing the number and energy of neutrons emitted from each fragment. The latter two parameters are assumed to be independent of the incident neutron energy while the first varies with incident energy. We describe our method and the subsequent spectral evaluation and present the results of several standard validation calculations that test our new evaluation. These benchmarks include critical assemblies, sensitive to criticality in fast systems; pulsed sphere measurements testing the spectra at incident neutron energies of 14 MeV; and other tests.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

IM3 Projected US Data Center Locations

IM3 Projected US Data Center Locations This dataset contains model projections of new data center facilities in the contiguous United States (CONUS) through 2035 using the CERF – Data Centers model. Data center locations are modeled across four data center electricity demand growth scenarios (low, moderate, high, higher) and five market gravity scenarios (0%, 25%, 50%, 75%, 100%). Projected locations are intended to be regional representations of feasible siting locations in the future to assess potential grid and water stress impacts. The data center load growth scenarios correspond with the rates outlined in EPRI (2024) and include 3.71%, 5%, 10%, and 15% annual growth of electricity demand for data centers from 2023 values in 37 states across the CONUS. Market gravity scenarios correspond to the relative importance of proximity to data center markets or high population areas compared to locational cost in the siting algorithm. 0% market gravity means that siting decisions were entirely determined by the locational cost in each feasible location. 100% market gravity means that only market proximity was considered when siting. Other scenarios have weight placed on both components where total weight always equals 100%. Locational cost is dependent on facility cooling type and corresponding electricity cost, taxes, and other factors. Facility cooling type is spatially determined where high water stress and/or areas with high summer wet bulb temperatures are assumed to operate with mechanical cooling for a higher fraction of the year rather than evaporative cooling. Feasible data center siting areas are based on geospatial suitability raster data developed with open-source information. The following areas are excluded from siting: Areas within 300 m of a federal airport runway or within an airport area boundary Waterbodies Areas with slope >16% Areas susceptible to sinkholes High coastal or inland flood risk areas Local, state, and federal parks, leisure areas, and cemeteries Areas >2 km away from electric substations Areas >5 km away from a municipal water supplier service area Areas >2 km away from high-speed fiber provider service territory USGS Protected Areas Database of the United States (PAD-US) GAP status 1, 2, or 3 areas US National Parks Wetlands USFWS critical habitats BIA land areas Railroads, major roadways, and minor roadways Military areas and training grounds NLCD developed lands Areas >0.8 km (0.5 miles) from NLCD developed lands Because we use open-source information, proprietary information that can influence siting decisions such as individual tax agreements with cities, detailed fiber line connectivity, electric grid power capacity agreements, and others, are not currently accounted for in the modeling process. Using specific building locations and footprints in the dataset for local planning purposes is not advised. Technical Information Geospatial data is provided in geojson format using the Albers Equal Area Conic (ESRI:102003) coordinate reference system. The datasets contain the following parameters: id - unique identification number within given scenario file growth_scenario – data center demand growth scenario market_gravity_weight – market gravity weight scenario (%) region – name of region (i.e., US State) total_cost_million_usd – locational siting cost ($million) campus_size_square_ft – total land acquired for data center facility (square ft) data_center_it_power_mw – IT power of data center facility (MW) mechanical_cooling_frac – fraction of year when data center uses mechanical cooling system water_cooling_frac– fraction of year when data center uses evaporative cooling system cooling_energy_demand_mwh – total annual facility energy demand for cooling (MWh) cooling_water_demand_mgy – total annual facility water demand for cooling (MG) cooling_water_consumption_mgy – total annual facility water consumed (MG) normalized_locational_cost – normalized total locational cost score for location normalized_gravity_score – normalized market gravity score for location weighted_siting_score – total weighted siting score of locational cost and gravity score geometry – polygon geometry of facility Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. License This data is made available under a CCBY4.0 License Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Mongird, Kendall (ORCID:0000000328077088)↗
DOE OSTI2019

An Investigation of Hydrometeor Latent Cooling upon Convective Cold Pool Formation, Sustainment, and Properties

Downdrafts extending from convective clouds can produce cold pools that propagate outward, sometimes initiating new convection along their leading edges. Models operating at scales requiring convective parameterizations usually lack representation of this detail, and thus fail to predict this convective regeneration and longer episodes of convective activity. Developing such parameterizations requires an improved understanding of the physical drivers of cold pools, and detailed studies of the roles of all the contributing microphysical processes have been lacking. This study utilizes a set of 12 simulations conducted within a single convective environment, but with variability in the microphysical fields produced by varying parameters influencing warm-rain or ice processes. Time-integrated microphysical budgets quantify the contribution of each hydrometeor type to the total latent cooling occurring in the downdrafts that form and sustain the cold pool. The timing of the onset of the cold pool is earlier in cases with a stronger warm rain process, but both graupel and rain were equally as likely to be the dominant hydrometeor in the downdraft first forming the cold pool. Graupel sublimation is the dominant term in sustaining the cold pool in all simulations, but the evaporation of rain has the strongest correlation to the cold pool expansion rate, depth, and intensity. Reconciling the current results with past studies elucidates the importance of considering: graupel sublimation, the latent cooling only in downdrafts contributing to the cold pool, and latent cooling in those downdrafts at altitudes that may be significantly higher than the melting level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Effects on precipitation, clouds, and temperature from long‐range transport of idealized aerosol plumes in WRF‐Chem simulations

Using the Weather Research and Forecasting model with Chemistry (WRF-Chem), we explored the impacts of nonlocal aerosol plumes transported at three different altitudes on a summertime convective system developed in a clean environment over the northeastern United States. Idealized aerosol plumes from forest fire and volcano emissions, which are known to be frequently transported in this region, were prescribed at three separate altitudes on the upstream boundary of WRF-Chem. The low-altitude (1.5–2.5 km) plume characteristic of forest fire emissions intersects the water clouds, resulting in optically thicker clouds and about a 30% decrease in accumulated precipitation. The precipitation response to the idealized aerosol plume is attributed to the aerosol “second indirect effect” and aerosol-induced enhancement in evaporation efficiency. Convection also significantly impacted this low-altitude aerosol plume because wet removal scavenges up to 70% of plume aerosols over regions where deep convection and precipitation occur. In stark contrast, midaltitude (5.6–6.6 km) and high-altitude (11.5–12.5 km) plumes exerted a negligible effect on clouds and precipitation. The apparent highly nonlinear sensitivity of simulated convection to the vertical positioning of nonlocal aerosol plumes is explained in terms of the dominant controls influencing this convection regime and limitations in the microphysics currently implemented in WRF-Chem.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Tunable internal quantum well alignment in rationally designed oligomer-based perovskite films deposited by resonant infrared matrix-assisted pulsed laser evaporation

Hybrid perovskites incorporating conjugated organic cations enable unusual charge carrier interactions among organic and inorganic structural components, but are difficult to prepare as films due to disparate component chemical/physical characteristics (e.g., solubility, thermal stability). In this work, we demonstrate that resonant infrared matrix-assisted pulsed laser evaporation (RIR-MAPLE) mitigates these challenges, enabling facile deposition of lead-halide-based perovskite films incorporating variable-length oligothiophene cations. Density functional theory (DFT) predicts suitable organic and inorganic moieties that form quantum-well-like structures with targeted luminescence or exciton separation/quenching. RIR-MAPLE-deposited films enable confirmation of these predictions by optical measurements, which further display excited state behavior transcending traditional quantum-well models—i.e., with appropriate selection of specially synthesized organic/inorganic moieties, intercomponent carrier transfer efficiently converts excitons from singlet to triplet states in organics for which intersystem crossing cannot ordinarily compete with recombination. These observations demonstrate the uniquely versatile excited-state behavior in hybrid perovskite quantum wells, and the value of integrating DFT, organic synthesis, RIR-MAPLE and spectroscopy for screening/preparing rationally devised complex structures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Aerosol Chemical Speciation Monitor (ACSM) Composition-Dependent Collection Efficiency (CDCE) Value-Added Product Report

Aerosol particles influence the Earth’s radiation balance directly by absorbing and scattering light and indirectly by influencing cloud formation, properties, and lifetimes. Measurements of aerosol particle optical properties, mass loading, size distributions, microphysical properties, cloud formation properties, and chemical composition are important for understanding the aerosol life cycle and for validating earth system models that predict these quantities. The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Aerosol Observing System (AOS) is a highly instrumented platform that measures many of these aerosol properties in situ. The Aerodyne aerosol chemical speciation monitor (ACSM) is a baseline instrument deployed in the AOS. The ACSM provides a quantitative measurement of aerosol particle chemical composition for non-refractory (operationally defined as components that evaporate on the 600ºC vaporizer) aerosol components in real time. Standard output is the mass concentration of particulate organics, nitrate, sulfate, chloride, and ammonium. One well-known limitation to the accuracy of the ACSM data is in evaluating the fraction of the ambient aerosol particles that are detected by the instrument. This quantity is referred to as the collection efficiency (CE) and is often less than unity. This is attributed to particles rebounding after impaction onto the heated vaporizer rather than being trapped, volatilized rapidly, and detected. Other factors, such as divergence of the aerosol particle beam, may also impact CE, but the particle rebound effect is the dominant factor. Scientists will sometimes assume CE = 0.5 (i.e., one half of sampled particles are detected) for ambient particles collected during field missions. However, parameterizations have been developed that express CE as a function of the measured chemical composition, referred to as the composition-dependent collection efficiency (CDCE). The physical explanation for a CDCE, supported by laboratory studies, is that rebound from the vaporizer is a function of the particle phase, with liquid-like particles “sticking” to the vaporizer and solid-like or crystalline particles “bouncing” from the vaporizer. Thus, particles with compositions are liquids-like under the measurement conditions (e.g., certain organics, acidic particles, particles enriched in nitrate) have CE close to unity while crystalline or solid particles (e.g., deliquesced ammonium sulfate) have lower CE. This value-added product (VAP) implements the procedure described by Middlebrook et al. (2012) to correct the ACSM data for the composition-dependent collection efficiency. Applying this parameterization improves the accuracy of the ACSM data and brings them into better agreement with other co-located aerosol measurements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Projected Changes in Daily Variability and Seasonal Cycle of Near-Surface Air Temperature over the Globe during the Twenty-First Century

Abstract Increases in atmospheric greenhouse gases will not only raise Earth’s temperature but may also change its variability and seasonal cycle. Here CMIP5 model data are analyzed to quantify these changes in surface air temperature (Tas) and investigate the underlying processes. The models capture well the mean Tas seasonal cycle and variability and their changes in reanalysis, which shows decreasing Tas seasonal amplitudes and variability over the Arctic and Southern Ocean from 1979 to 2017. Daily Tas variability and seasonal amplitude are projected to decrease in the twenty-first century at high latitudes (except for boreal summer when Tas variability increases) but increase at low latitudes. The day of the maximum or minimum Tas shows large delays over high-latitude oceans, while it changes little at low latitudes. These Tas changes at high latitudes are linked to the polar amplification of warming and sea ice loss, which cause larger warming in winter than summer due to extra heating from the ocean during the cold season. Reduced sea ice cover also decreases its ability to cause Tas variations, contributing to the decreased Tas variability at high latitudes. Over low–midlatitude oceans, larger increases in surface evaporation in winter than summer (due to strong winter winds, strengthened winter winds in the Southern Hemisphere, and increased winter surface humidity gradients over the Northern Hemisphere low latitudes), coupled with strong ocean mixing in winter, lead to smaller surface warming in winter than summer and thus increased seasonal amplitudes there. These changes result in narrower (wider) Tas distributions over the high (low) latitudes, which may have important implications for other related fields.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Effect of 50MeV Li{sup 3+} ion irradiation on structural, optical and electrical properties of amorphous Se{sub 95}Zn{sub 5} thin films

Present work focuses on the effect of swift heavy ion (SHI) irradiation of 50MeV Li{sup 3+} ions by varying the fluencies in the range of 1×10{sup 12} to 5×10{sup 13} ions/cm{sup 2} on the morphological, structural, optical and electrical properties of amorphous Se{sub 95}Zn{sub 5} thin films. Thin films of ~250nm thickness were deposited on cleaned glass substrates by thermal evaporation technique. X-ray diffraction (XRD) analysis shows the pristine thin film of Se{sub 95}Zn{sub 5} growsin hexagonal phase structure. Also it was found that the small peak observed in XRD spectra vanishes after SHI irradiation indicates the defects of the material increases. The optical parameters: absorption coefficient (α), extinction coefficient (K), refractive index (n) optical band gap (E{sub g}) and Urbach’s energy (E{sub U}) are determined from optical absorption spectra data measured from spectrophotometry in the wavelength range 200-1000nm. It was found that the values of absorption coefficient, refractive index and extinction coefficient increases while the value optical band gap decreases with the increase of ion fluence. This post irradiation change in the optical parameters was interpreted in terms of bond distribution model. Electrical properties such as dc conductivity and temperature dependent photoconductivity of investigated thin films were carried out in the temperature range 309-370 K. Analysis of data shows activation energy of dark current is greater as compared to activation energy photocurrent. The value of activation energy decreases with the increase of ion fluence indicates that the defect density of states increases.Also it was found that the value of dc conductivity and photoconductivity increases with the increase of ion fluence.

36 MATERIALS SCIENCE↗
DOE OSTI2013

A GIS COST MODEL TO ASSESS THE AVAILABILITY OF FRESHWATER, SEAWATER, AND SALINE GROUNDWATER FOR ALGAL BIOFUEL PRODUCTION IN THE UNITED STATES

A key advantage of using microalgae for biofuel production is the ability of some algal strains to thrive in waters unsuitable for conventional crop irrigation such as saline groundwater or seawater. Nonetheless, the availability of sustainable water supplies will provide significant challenges for scale-up and development of algal biofuels. We conduct a limited techno-economic assessment based on the availability of freshwater, saline groundwater, and seawater for use in open pond algae cultivation systems. We explore water issues through GIS-based models of algae biofuel production, freshwater supply, and cost models for supplying seawater and saline groundwater. We estimate that combined, within the coterminous US these resources can support production on the order of 9.46E+7 m3 yr-1 (25 billion gallons yr-1) of renewable biodiesel. Achievement of larger targets requires the utilization of less water efficient sites and relatively expensive saline waters. Geographically, water availability is most favorable for the coast of the Gulf of Mexico and Florida peninsula, where evaporation relative to precipitation is moderate and various saline waters are economically available. As a whole, barren and scrub lands of the southwestern US have limited freshwater supplies so accurate assessment of alternative waters is critical.

biofuel↗
DOE OSTI2022

Self-organized patterns at the plasma–liquid anode interface in a helium glow discharge: temporal development and mechanisms

Self-organization at the plasma–liquid anode interface is a commonly observed phenomenon for atmospheric pressure glow plasmas, resulting in patterns with distinctive shapes such as circular ring, star-shaped, and gear-like structures, depending primarily on the discharge current and solution conductivity. Recent studies have shown that the electrode gap distance, solute used for liquid anode solution, and gas composition can also significantly impact pattern formation. Nonetheless, an overarching model or explanation of the key underlying mechanisms consistent with all experimentally observed trends is not yet reported. We propose a key underlying mechanism enabling pattern formation motivated by a detailed parametric study of pattern formation complemented by the temporal development of patterns and consistent with all observed trends. Pattern formation was observed to be on a time scale of 100 μs, similar to the time scales of gas heating and evaporation. It was found that a minimum water evaporation rate of (3.5 ± 0.5) × 10 –6 kg s –1 and reduced electric field in the positive column of 16.6 ± 0.4 Td is required for pattern formation in the investigated cases irrespective of solution conductivity and gas composition for NaCl solutions. Nonetheless, the presence of cations for which the corresponding metal atom has a low ionization energy was identified as a necessary condition for pattern formation. Furthermore, the reported results suggest that the presence of a small amount of metal atoms in the gas phase with low ionization energy enhances the overall ionization rate in the near anode region which triggers pattern formation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Structure of 28 Mg and influence of the neutron pf shell

Gamma-ray spectroscopy and lifetime measurements using the Doppler shift attenuation method (DSAM) were performed on the nucleus 28 Mg near the N = 20 “island of inversion,” which was populated using a 12 C ( 18 O, 2p) 28 Mg fusion-evaporation reaction to investigate the impact of shell evolution on its high-lying structure. Three new levels were identified at 7203(3), 7747(2), and 7929.3(12) keV along with several new gamma rays. A newly extracted B(E2; 4$^{+}_{1}$ → 2$^{+}_{1}$) of 42(7) e 2 fm 4 indicates reduced collectivity in the yrast band at high spin, consistent with ab initio symmetry adapted no-core shell model (SA-NCSM) calculations. At high excitation energy, evidence for the population of intruder orbitals was obtained through identification of negative parity levels [I π = (0, 4) - , (4, 5) - ] . Calculations using the SDPF-MU interaction indicate that these levels arise from single neutron excitation to the pf shell and provides evidence for the lowering of these intruder orbitals approaching the island of inversion.

20 ≤ A ≤ 38↗
DOE OSTI2013

Spectroscopy of element 115 decay chains

A high-resolution a, X-ray and -ray coincidence spectroscopy experiment was conducted at the GSI Helmholtzzentrum fu r Schwerionenforschung. Thirty correlated a-decay chains were detected following the fusion-evaporation reaction 48Ca + 243Am. The observations are consistent with previous assignments of similar decay chains to originate from element Z = 115. The data includes first candidates of fingerprinting the decay step Mt --> Bh with characteristic X rays. For the first time, precise spectroscopy allows the derivation of excitation schemes of isotopes along the decay chains starting with elements Z > 112. Comprehensive Monte-Carlo simulations accompany the data analysis. Nuclear structure models provide a first level interpretation.

Rudolph, Dirk↗
DOE OSTI2022

Evaluating simplifications of subsurface process representations for field-scale permafrost hydrology models

Abstract. Permafrost degradation within a warming climate poses a significant environmental threat through both the permafrost carbon feedback and damage to human communities and infrastructure. Understanding this threat relies on better understanding and numerical representation of thermo-hydrological permafrost processes and the subsequent accurate prediction of permafrost dynamics. All models include simplified assumptions, implying a tradeoff between model complexity and prediction accuracy. The main purpose of this work is to investigate this tradeoff when applying the following commonly made assumptions: (1) assuming equal density of ice and liquid water in frozen soil, (2) neglecting the effect of cryosuction in unsaturated freezing soil, and (3) neglecting advective heat transport during soil freezing and thaw. This study designed a set of 62 numerical experiments using the Advanced Terrestrial Simulator (ATS v1.2) to evaluate the effects of these choices on permafrost hydrological outputs, including both integrated and pointwise quantities. Simulations were conducted under different climate conditions and soil properties from three different sites in both column- and hillslope-scale configurations. Results showed that amongst the three physical assumptions, soil cryosuction is the most crucial yet commonly ignored process. Neglecting cryosuction, on average, can cause 10 %–20 % error in predicting evaporation, 50 %–60 % error in discharge, 10 %–30 % error in thaw depth, and 10 %–30 % error in soil temperature at 1 m beneath the surface. The prediction error for subsurface temperature and water saturation is more obvious at hillslope scales due to the presence of lateral flux. By comparison, using equal ice–liquid density has a minor impact on most hydrological metrics of interest but significantly affects soil water saturation with an averaged 5 %–15 % error. Neglecting advective heat transport presents the least error, 5 % or even much lower, in most metrics of interest for a large-scale Arctic tundra system without apparent influence caused by localized groundwater flow, and it can decrease the simulation time at hillslope scales by 40 %–80 %. By challenging these commonly made assumptions, this work provides permafrost hydrology scientists an important context for understanding the underlying physical processes, including allowing modelers to better choose the appropriate process representation for a given modeling experiment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Formation of Polymeric Nanocubes by Self‐Assembly and Crystallization of Dithiolane‐Containing Triblock Copolymers

Abstract Template‐free fabrication of non‐spherical polymeric nanoparticles is desirable for various applications, but has had limited success owing to thermodynamic favorability of sphere formation. Herein we present a simple way to prepare cubic nanoparticles of block copolymers by self‐assembly from aqueous solutions at room temperature. Nanocubes with edges of 40–200 nm are formed spontaneously on different surfaces upon water evaporation from micellar solutions of triblock copolymers containing a central poly(ethylene oxide) block and terminal trimethylene carbonate/dithiolane blocks. These polymers self‐assemble into 28±5 nm micelles in water. Upon drying, micelle aggregation and a kinetically controlled crystallization of central blocks evidently induce solid cubic particle formation. An approach for preserving the structures of these cubes in water by thiol‐ or photo‐induced crosslinking was developed. The ability to solubilize a model hydrophobic drug, curcumin, was also explored.

Margulis, Katherine↗
DOE OSTI2014

Selected spectroscopic results on element 115 decay chains

We observed thirty correlated α-decay chains in an experiment studying the fusion-evaporation reaction 48 Ca + 243 Am at the GSI Helmholtzzentrum fur Schwerionenforschung. The decay characteristics of the majority of these 30 chains are consistent with previous observations and interpretations of such chains to originate from isotopes of element Z = 115. High-resolution α-photon coincidence spectroscopy in conjunction with comprehensive Monte-Carlo simulations allow to propose excitation schemes of atomic nuclei of the heaviest elements, thereby probing nuclear structure models near the 'Island of Stability' with unprecedented experimental precision.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2016

Corresponding-states behavior of an ionic model fluid with variable dispersion interactions

Guggenheim’s corresponding-states approach for simple fluids leads to a remarkably universal representation of their thermophysical properties. For more complex fluids, such as polar or ionic ones, deviations from this type of behavior are to be expected, thereby supplying us with valuable information about the thermodynamic consequences of the interaction details in fluids. Here, the gradual transition of a simple fluid to an ionic one is studied by varying the relative strength of the dispersion interactions compared to the electrostatic interactions among the charged particles. In addition to the effects on the reduced surface tension that were reported earlier [F. Leroy and V. C. Weiss, J. Chem. Phys. 134, 094703 (2011)], we address the shape of the coexistence curve and focus on properties that are related to and derived from the vapor pressure. These quantities include the enthalpy and entropy of vaporization, the boiling point, and the critical compressibility factor Z{sub c}. For all of these properties, the crossover from simple to characteristically ionic fluid is seen once the dispersive attraction drops below 20%–40% of the electrostatic attraction (as measured for two particles at contact). Below this threshold, ionic fluids display characteristically low values of Z{sub c} as well as large Guggenheim and Guldberg ratios for the reduced enthalpy of vaporization and the reduced boiling point, respectively. The coexistence curves are wider and more skewed than those for simple fluids. The results for the ionic model fluid with variable dispersion interactions improve our understanding of the behavior of real ionic fluids, such as inorganic molten salts and room temperature ionic liquids, by gauging the importance of different types of interactions for thermodynamic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A Greening Future Elevates Flash Drought Risk in Northern Mid‐to‐High Latitudes

Flash droughts have become a growing concern, as they can emerge rapidly and increase the risk of crop failure. Although past studies have investigated the meteorological drivers and future changes of flash drought, why flash drought is more frequent over humid and vegetated regions remains underexplored. This study delves further into the mechanism by which vegetation regulates flash drought and its future change using observations from multiple data sets and large ensemble simulations from three Earth system models. On an interannual timescale, both observations and simulations show robust increases in flash drought frequency and a higher flash-to-sub-seasonal drought ratio during spring or antecedent conditions with dense vegetation, supporting the important role of vegetation in flash drought occurrence, especially in the northern mid-to-high latitudes. In the latter regions, the large ensemble simulations show robust increases in flash drought (e.g., 67% and 46% increases in Eastern U.S. and North Asia in 2050–2100 relative to 1950–2000 under the high emission scenario), where the growing season is lengthening. Although greening might suggest reduced drought stress, it drives precipitation-soil moisture-evapotranspiration decoupling by increasing evapotranspiration partitioning to transpiration. As transpiration can access deep soil water through the plant root system, its increased portion can weaken the constraints of concurrent precipitation on evapotranspiration, thus accelerating soil moisture depletion under high evaporative demand, driving a slow-to-rapid drought transition. How vegetation regulates flash drought by regulating surface moisture budget is supported by observations and simulations. Although warming supports early planting, agriculture may increasingly be threatened by surging flash drought risk.

Drought↗