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NASA NTRS2012

Turbulence in a Global Magnetohydrodynamic Simulation of the Earth's Magnetosphere during Northward and Southward Interplanetary Magnetic Field

We report the results of MHD simulations of Earth's magnetosphere for idealized steady solar wind plasma and interplanetary magnetic field (IMF) conditions. The simulations feature purely northward and southward magnetic fields and were designed to study turbulence in the magnetotail plasma sheet. We found that the power spectral densities (PSDs) for both northward and southward IMF had the characteristics of turbulent flow. In both cases, the PSDs showed the three scale ranges expected from theory: the energy-containing scale, the inertial range, and the dissipative range. The results were generally consistent with in-situ observations and theoretical predictions. While the two cases studied, northward and southward IMF, had some similar characteristics, there were significant differences as well. For southward IMF, localized reconnection was the main energy source for the turbulence. For northward IMF, remnant reconnection contributed to driving the turbulence. Boundary waves may also have contributed. In both cases, the PSD slopes had spatial distributions in the dissipative range that reflected the pattern of resistive dissipation. For southward IMF there was a trend toward steeper slopes in the dissipative range with distance down the tail. For northward IMF there was a marked dusk-dawn asymmetry with steeper slopes on the dusk side of the tail. The inertial scale PSDs had a dusk-dawn symmetry during the northward IMF interval with steeper slopes on the dawn side. This asymmetry was not found in the distribution of inertial range slopes for southward IMF. The inertial range PSD slopes were clustered around values close to the theoretical expectation for both northward and southward IMF. In the dissipative range, however, the slopes were broadly distributed and the median values were significantly different, consistent with a different distribution of resistivity.

magnetohydrodynamics (MHD)↗
NASA NTRS2008

Delay-Throughput Performance of the Deep-Space Ka-band Link

In this paper, performance of a first-in, first-out (FIFO), selective retransmission scheme for the deep-space Ka-band link is presented and compared to the performance of a comparable X-band link. In this analysis, 16 months of water vapor radiometer (WVR) and advanced water vapor radiometer (AWVR) data from the three Deep Space Network (DSN) Communication Complexes (DSCC) were used to emulate weather effects on X-band and Ka-band links from Mars. Mars Reconnaissance Orbiter (MRO) X-band and Ka-band telecommunications parameters were used for spacecraft telecommunications capabilities. One pass per week per complex was selected from MRO's Deep Space Network (DSN) schedule from April 1, 2006 to August 31, 2007 for a total of 207 passes (69 passes per complex) for this analysis. For each pass both X-band and Ka-band links were designed using at most two data rates so that the expected pass capacity would be maximized subject to a minimum availability requirement (MAR). In conjunction with the WVR/AWVR data, elevation profiles of the selected passes and models for the performance of the antennas in the DSN were used to emulate the performance of both links. It was assumed that the retransmission of the data takes place not on the same pass as the original transmission but during subsequent passes. The data collected before a pass was assumed to be a fraction of the expected capacity of the pass as calculated through the link design process. Infinite spacecraft storage was assumed to obtain an upper bound on the spacecraft storage requirement. The independent parameters of this analysis were MAR and the ratio of data collected before a pass to the expected pass capacity. Since the selected passes did not occur at regular intervals, the delay in this analysis was measured in terms of number of passes. The throughput was measured in terms of number of bits received successfully on the ground. The results indicate that reasonable delay performance could be achieved with very high throughput for relatively low MAR values for data collection to expected pass capacity ratio of around 97% for Ka-band. The results indicate that, except for very low average delay requirements, the Ka-band link provides more than twice the throughput of the X-band link for the same amount of power consumed by the spacecraft. In addition, the results indicate that the required storage onboard the spacecraft is not prohibitive and good performance could be achieved by using a buffer size less than three times the maximum amount of data collected before a pass.

Shambayati, Shervin↗
NASA NTRS2008

Delay-Throughput Performance the Deep-Space Ka-Band Link

In this paper, performance of a first-in, first-out (FIFO), selective retransmission scheme for the deep-space Ka-band link is presented and compared to the performance of a comparable X-band link. In this analysis, 16 months of water vapor radiometer (WVR) and advanced water vapor radiometer (AWVR) data from the three Deep Space Network (DSN) Communication Complexes (DSCC) were used to emulate weather effects on X-band and Ka-band links from Mars. Mars Reconnaissance Orbiter (MRO) X-band and Ka-band telecommunications parameters were used for spacecraft telecommunications capabilities. One pass per week per complex was selected from MRO's Deep Space Network (DSN) schedule from April 1, 2006 to August 31, 2007 for a total of 207 passes (69 passes per complex) for this analysis. For each pass both X-band and Ka-band links were designed using at most two data rates so that the expected pass capacity would be maximized subject to a minimum availability requirement (MAR). In conjunction with the WVR/AWVR data, elevation profiles of the selected passes and models for the performance of the antennas in the DSN were used to emulate the performance of both links. It was assumed that the retransmission of the data takes place not on the same pass as the original transmission but during subsequent passes. The data collected before a pass was assumed to be a fraction of the expected capacity of the pass as calculated through the link design process. Infinite spacecraft storage was assumed to obtain an upper bound on the spacecraft storage requirement. The independent parameters of this analysis were MAR and the ratio of data collected before a pass to the expected pass capacity. Since the selected passes did not occur at regular intervals, the delay in this analysis was measured in terms of number of passes. The throughput was measured in terms of number of bits received successfully on the ground. The results indicate that reasonable delay performance could be achieved with very high throughput for relatively low MAR values for data collection to expected pass capacity ratio of around 97% for Ka-band. The results indicate that, except for very low average delay requirements, the Ka-band link provides more than twice the throughput of the X-band link for the same amount of power consumed by the spacecraft. In addition, the results indicate that the required storage onboard the spacecraft is not prohibitive and good performance could be achieved by using a buffer size less than three times the maximum amount of data collected before a pass.

Shambayati, Shervin↗
NASA NTRS2016

Human Reliability Assessments: Using the Past (Shuttle) to Predict the Future (Orion)

NASA (National Aeronautics and Space Administration) Johnson Space Center (JSC) Safety and Mission Assurance (S&MA) uses two human reliability analysis (HRA) methodologies. The first is a simplified method which is based on how much time is available to complete the action, with consideration included for environmental and personal factors that could influence the human's reliability. This method is expected to provide a conservative value or placeholder as a preliminary estimate. This preliminary estimate or screening value is used to determine which placeholder needs a more detailed assessment. The second methodology is used to develop a more detailed human reliability assessment on the performance of critical human actions. This assessment needs to consider more than the time available, this would include factors such as: the importance of the action, the context, environmental factors, potential human stresses, previous experience, training, physical design interfaces, available procedures/checklists and internal human stresses. The more detailed assessment is expected to be more realistic than that based primarily on time available. When performing an HRA on a system or process that has an operational history, we have information specific to the task based on this history and experience. In the case of a Probabilistic Risk Assessment (PRA) that is based on a new design and has no operational history, providing a "reasonable" assessment of potential crew actions becomes more challenging. In order to determine what is expected of future operational parameters, the experience from individuals who had relevant experience and were familiar with the system and process previously implemented by NASA was used to provide the "best" available data. Personnel from Flight Operations, Flight Directors, Launch Test Directors, Control Room Console Operators and Astronauts were all interviewed to provide a comprehensive picture of previous NASA operations. Verification of the assumptions and expectations expressed in the assessments will be needed when the procedures, flight rules and operational requirements are developed and then finalized.

DeMott, Diana↗
NASA NTRS2017

Human Reliability Assessments: Using the Past (Shuttle) to Predict the Future (Orion)

NASA (National Aeronautics and Space Administration) Johnson Space Center (JSC) Safety and Mission Assurance (S&MA) uses two human reliability analysis (HRA) methodologies. The first is a simplified method which is based on how much time is available to complete the action, with consideration included for environmental and personal factors that could influence the human's reliability. This method is expected to provide a conservative value or placeholder as a preliminary estimate. This preliminary estimate or screening value is used to determine which placeholder needs a more detailed assessment. The second methodology is used to develop a more detailed human reliability assessment on the performance of critical human actions. This assessment needs to consider more than the time available, this would include factors such as: the importance of the action, the context, environmental factors, potential human stresses, previous experience, training, physical design interfaces, available procedures/checklists and internal human stresses. The more detailed assessment is expected to be more realistic than that based primarily on time available. When performing an HRA on a system or process that has an operational history, we have information specific to the task based on this history and experience. In the case of a Probabilistic Risk Assessment (PRA) that is based on a new design and has no operational history, providing a "reasonable" assessment of potential crew actions becomes more challenging. To determine what is expected of future operational parameters, the experience from individuals who had relevant experience and were familiar with the system and process previously implemented by NASA was used to provide the "best" available data. Personnel from Flight Operations, Flight Directors, Launch Test Directors, Control Room Console Operators, and Astronauts were all interviewed to provide a comprehensive picture of previous NASA operations. Verification of the assumptions and expectations expressed in the assessments will be needed when the procedures, flight rules, and operational requirements are developed and then finalized.

DeMott, Diana L.↗
NASA NTRS2017

NuSTAR Observations of WISE J1036+0449, A Galaxy at Z Approx. 1 Obscured by Hot Dust

Hot dust-obscured galaxies (hot DOGs), selected from Wide-Field Infrared Survey Explorer's all-sky infrared survey, host some of the most powerful active galactic nuclei known and may represent an important stage in the evolution of galaxies. Most known hot DOGs are located at z > 1.5, due in part to a strong bias against identifying them at lower redshift related to the selection criteria. We present a new selection method that identifies 153 hot DOG candidates at z approx. 1, where they are significantly brighter and easier to study. We validate this approach by measuring a redshift z = 1.009 and finding a spectral energy distribution similar to that of higher-redshift hot DOGs for one of these objects, WISE J1036+0449 (L(BOL) approx. = 8 x 10(exp 46) erg/s). We find evidence of a broadened component in Mg II, which would imply a black hole mass of M(BH) approx. = 2 x 10(exp 8) Stellar Mass and an Eddington ratio of lambda(Edd) approx. = 2.7. WISE J1036+0449 is the first hot DOG detected by the Nuclear Spectroscopic Telescope Array, and observations show that the source is heavily obscured, with a column density of N(H) approx. = (2-15) x 10(exp 23)/sq cm. The source has an intrinsic 2-10 keV luminosity of approx. 6 x 10(exp 44) erg/s, a value significantly lower than that expected from the mid-infrared X-ray correlation. We also find that other hot DOGs observed by X-ray facilities show a similar deficiency of X-ray flux. We discuss the origin of the X-ray weakness and the absorption properties of hot DOGs. Hot DOGs at z < or approx. 1 could be excellent laboratories to probe the characteristics of the accretion flow and of the X-ray emitting plasma at extreme values of the Eddington ratio.

galaxies↗
NASA NTRS2017

Human Reliability Assessments: Using the Past (Shuttle) to Predict the Future (ORION)

NASA uses two HRA assessment methodologies. The first is a simplified method which is based on how much time is available to complete the action, with consideration included for environmental and personal factors that could influence the human's reliability. This method is expected to provide a conservative value or placeholder as a preliminary estimate. This preliminary estimate is used to determine which placeholder needs a more detailed assessment. The second methodology is used to develop a more detailed human reliability assessment on the performance of critical human actions. This assessment needs to consider more than the time available, this would include factors such as: the importance of the action, the context, environmental factors, potential human stresses, previous experience, training, physical design interfaces, available procedures/checklists and internal human stresses. The more detailed assessment is still expected to be more realistic than that based primarily on time available. When performing an HRA on a system or process that has an operational history, we have information specific to the task based on this history and experience. In the case of a PRA model that is based on a new design and has no operational history, providing a "reasonable" assessment of potential crew actions becomes more problematic. In order to determine what is expected of future operational parameters, the experience from individuals who had relevant experience and were familiar with the system and process previously implemented by NASA was used to provide the "best" available data. Personnel from Flight Operations, Flight Directors, Launch Test Directors, Control Room Console Operators and Astronauts were all interviewed to provide a comprehensive picture of previous NASA operations. Verification of the assumptions and expectations expressed in the assessments will be needed when the procedures, flight rules and operational requirements are developed and then finalized.

DeMott, Diana L.↗
DOE OSTI2025

AGC-4 As-Run Uncertainty Analysis

The concept of measuring neutron flux (or fluence rate) with activation foils has existed since the late 1940s and is a well-used methodology. Activation foils are selected for their unique isotopic cross sections that create reaction products with desirable properties: relatively simple radioactive decay scheme, measurable quantities of gamma-rays or betas, and half-lives appropriate for the irradiation and decay durations of the experiment. The activation materials, deemed flux wires, fluence wires, dosimeters, or flux foils, are fabricated to have a mass appropriate for the irradiation as well so the measurement using a radiation detector following the irradiation is sufficient but not overwhelming in terms of total activity. Activation measurement results are expressed in terms of reaction rate, which can then be used to “adjust” the neutron spectrum. The Advanced Graphite Creep (AGC)-4 experiment contained 26 flux wire packages, each containing an iron and a niobium wire inside a vanadium capsule. For all stackup positions, the value of fast to thermal neutrons is higher than expected, but the total neutron fluence is near the predicted value of ~2 x 1022 n/cm2. As compared to the predicted neutron spectrum, there are four takeaways in the results as compared to the predicted ATR irradiation: 1) Additional fast (fission) neutrons present, 2) Spectrum hardening due to temperature, 3) Spectrum hardening due to container attenuation, 4) Total neutron fluence is close to predicted values. Since the neutron energy spectrum is a key parameter when attributing neutron damage in materials, the adjusted energy-dependent spectrum and the total neutron fluence results from the dosimeters can be incorporated for future calculations.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1982

A reinvestigation of the rate of the C/+/ + H2 radiative association reaction

It is noted that new experimental results and statistical theories have prompted a reinvestigation of the rate coefficient of the interstellar reaction in which C(+) + H2 yields CH2(+) + h(nu) in the 10-100 K temperature range. The results presented here indicate a rate coefficient between 10 to the -16 and 10 to the -15 cu cm/s at all temperatures studied. In applying the modified thermal and phase space theories, it is expected that they will be as accurate as for radiative association as for three-body association, provided the ab initio value for the radiative decay rate is correct. It is expected that the calculated values of the rate coefficient will be accurate to within an order of magnitude and will have the correct temperature dependence.

Herbst, E.↗
DOE OSTI2023

Property Measurements of NaCl-UCl 3 and LiF-NaF-KF Molten Salts Doped with Surrogate Fission Products

Knowing thermophysical and thermochemical property values of salts over the expected range of operating temperatures is essential to modeling and simulation efforts that support the commercialization of molten salt reactor (MSR) technologies. Salt properties being measured at Argonne include thermal transitions, phase behavior, heat capacity, density, surface tension, volumetric thermal expansion, thermal diffusivity, thermal conductivity, and viscosity. The properties of several salts of interest including NaCl-UCl 3 and LiF-NaF-KF (FLiNaK) have been measured at Argonne and reported previously. These property measurements are suitable for use in evaluating reactor performance during startup and the early operating life of the reactor. The physical and chemical behavior of the fuel salt is altered by the buildup of fission products and the resulting changes in heat transfer and other properties must be understood by reactor developers. This report summarizes melting behavior, heat capacity, and thermal diffusivity values that were measured for mixtures of FLiNaK and NaCl-UCl 3 salts that have been doped with surrogate fission products. Additional heat capacity measurements were also performed on a separate mixture of FLiNaK without dopants. Measured properties are suitable for incorporation into the Molten Salt Thermal Properties Database–Thermochemical (MSTDB–TC) and the Molten Salt Thermal Properties Database–Thermophysical (MSTDB–TP) to support the development of MSRs. Salts were prepared by doping eutectic mixtures of NaCl-UCl 3 and FLiNaK with surrogate fission products. These salts were prepared for use in salt spill experiments being performed at Argonne and were subsequently used for thermal property measurements. Thermal transitions and heat capacities were measured by using differential scanning calorimetry (DSC) and thermal diffusivity was measured by using laser flash analysis (LFA) at temperatures spanning the typical MSR operating range. The measured property values of the doped salts were compared to measured property values of salts without fission products to quantify the effects of the doped fission products.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Wind power costs driven by innovation and experience with further reductions on the horizon

The costs of wind power have declined to levels on par with or below those of conventional sources in many parts of the world. Wind power has become one of the fastest-growing sources of new electricity generation. We take stock of wind power cost evolution over the past 20 years, review methodologies commonly used for cost assessment, discuss the potential for continued cost reduction, and identify anticipated cost and value drivers. Our scope includes both onshore and offshore wind technologies. We draw from a vast body of literature on these topics to highlight key trends, approaches, and limitations. Furthermore, we discuss strategies for wind power assets to enhance their marginal economic value to the broader power system and consumers. We identify a myriad of factors that are expected to influence the future cost and value of wind power, including siting, project scale, turbine size, operational synergies, commodity prices, advancements in turbine technologies, enhanced management of the wind resource, and novel control technologies that provide value for the electricity grid. Because the common methods for forecasting future costs each have their own strengths and weaknesses, we find the best insights are elicited from a combination of methods. Overall, researchers and analysts anticipate further sizable cost reductions for onshore and offshore wind. Midrange forecasts for levelized cost of energy in 2050 are generally between $20 and $30/MWh for onshore wind and $40 and $60/MWh for offshore wind, a reduction to approximately half of today's levels. Optimistic forecasts anticipate these levels as early as 2030.

17 WIND ENERGY↗
NASA NTRSDate not supplied

Characterizing Detailed Grain Shape and Size Distribution Properties of Lunar Regolith

Introduction: As the nation prepares to return to the Moon, there is an increasing need for testing tools, instruments, and equipment in simulated environments on Earth to ensure successful operations during lunar missions. Regolith will affect all aspects of future lunar missions, from plume interactions during landing to space suit and tool design [1]. Because of this, it is important to understand the grain shape and size properties of lunar regolith and how those influence regolith behavior in order to prepare for these missions. This knowledge is also vital to create more accurate lunar regolith simulants for testing equipment in a lunar environment. While particle size analyses have been performed on most Apollo soils using simple sieving, shape has only been crudely addressed [2]. This work analyzes 4 lunar regolith samples to provide a better understanding of these size and shape parameters and will provide a more accurate baseline of data to create high-fidelity lunar regolith simulants. Methods: New technologies exist today that are capable of measuring size and shape simultaneously for hundreds of thousands of particles in a single measurement. We conducted a rigorous analysis of the particle size distribution (PSD) as well as the size-dependent 2D and 3D shape parameters of lunar regolith samples of different compositions and maturity levels. This analysis was done using a Microtrac SYNC which provides a unique combination of tri-laser diffraction and Dynamic Image Analysis (DIA). Sample Selection. Four regolith samples were selected for analysis based on maturity level and lunar terrain type: • 10084 – Mature high-Ti mare regolith • 15601 – Immature low-Ti mare regolith • 64501 – Mature highland regolith • 67461 – Immature highland regolith Sample Analysis. After receiving the samples, each sample was imaged with an optical microscope (Figure 1). To obtain 2D and 3D particle size and shape, 0.1 g of each sample was then added to the SYNC for analysis, which outputs more than 30 size and shape parameters for each individual grain as well as the complete size distribution from 0.01-2000 μm by blending laser diffraction and DIA together. For the 0.1 g sample masses requested, ~100,000 grains per sample were captured by DIA. Results: From the PSD analysis, it can be seen that the average particle size of 10084 is ~24.5 µm which is much smaller than the average particle size of the Apollo sample collection (~72 µm) [3], while the average particle size of samples 15601, 64501, and 67461 are larger than the Apollo sample average at ~106 µm, ~103 µm, and ~118.5 µm respectively. The size and shape measurements for the samples output ~30 parameters, four of which were focused on for this study: sphericity, aspect ratio, roundness, and concavity (Figure 3). However, after analyzing the plots it was found that only sphericity and aspect ratio showed differences between the samples. These two parameters are measured on a scale from 0 to 1, with 1 being a perfect sphere with equal dimensions. The results show that the sphericity values are slightly high-er for the mature samples 10084 and 64501 (~0.96) than they are for samples 15601 and 67461 (~0.95) (Figure 4). The aspect ratio values are slightly lower for samples 64501 (~0.7) and 67461 (~0.74) than they are for samples 10084 (~0.76) and 15601 (~0.8) (Figure 5). Discussion: Mature regoliths are those that have been exposed to micrometeorite and solar wind bombardment for long periods of time, breaking up particles and causing them to become more rounded [4]. Therefore, the smaller particle sizes and higher sphericity values for samples 10084 and 64501 are expected due to their higher maturity level compared to 15601 and 67461. However, the aspect ratio values are not dependent on maturity and are instead dependent on terrain type. The lower aspect ratio values for the high-land samples is potentially due to the higher plagioclase content, which occurs in elongated particles and does not break down as easily as the pyroxenes or olivines that are present in the mare. Conclusion and Future Work: The results of this work provide a baseline of high-quality data that will contribute to the creation of high-fidelity lunar simulants and will greatly benefit NASA’s efforts of establishing a human presence on the Moon. Future work includes performing unsupervised image classification on the ~105 particle images per sample in order to identify different classes of grains. These grain classes can then be linked to detailed shape properties, and the relative abundance of each class in the samples can be compared. Acknowledgments: We would like to thank the Extraterrestrial Materials Analysis Group (ExMAG) and the Astromaterials Allocation Review Board (AARB) for allocating lunar regolith samples 10084,9010, 15601,365, 64501,249, and 67461,171 for this work. References: [1] Taylor, L. A. et al. (2005) AIAA #2510. [2] Katagiri et al. (2015) ASCE. [3] Carrier III, W. D. (2005) Lunar Geotech Institute Tech Report. [4] McKay, D. S. et al. (1991) The Lunar Sourcebook, Chapter 7.

S R Deitrick↗
DOE OSTI2025

Effects of SRPPF ARS Effluent Variations on Magnesium Oxysulfate Solidification

A magnesium oxysulfate (MOS) grout formulation has been identified to solidify the liquid effluent from the Savannah River Plutonium Processing Facility (SRPPF) Aqueous Recovery System (ARS). The formulation uses reactive, light burnt MgO (28 wt%), anhydrous MgSO 4 (10 wt%), and dead burnt MgO (62 wt%), resulting in a grout with good mixability, acceptable density, acceptable setting times, and a leachate pH around 9.4, within the assumed Waste Isolation Pilot Plant (WIPP) brine pH range. A series of tests were then designed to observe how this formula reacted to variations in the liquid effluent. Liquid effluent temperature, the caustic pH level, concentration of NaNO 3 , and the presence of neutralization products, trace metals, and/or sodium sulfate (all potential residuals found in the effluent from upstream processing), were evaluated to see how each impacts the grout mixing time, peak temperature, setting time, presence of bleed water, leachate pH, and density. The standard mix has an average mixing time of 18 minutes, peak temperature of 100.5 °C, and set time of 60 minutes. Increasing the temperature of the liquid effluent increased the reaction rate of the mix and reduced mixing and setting times. Between 30 and 40°C the change was relatively small, raising no more than 6 °C compared to the standard mix maximum temperature. Increasing the pH of the liquid effluent had no significant impact on the mix. The addition of neutralization products and trace metals had an overall impact of decreasing the reactivity of the mix. The addition of more ions in the liquid effluent, such as an increase in the concentration of NaNO 3 and the addition of Na 2 SO 4 , generally decreased the reactivity of the mix. None of the variations to the liquid effluent hindered solidification as indicated by the lack of bleed water found on all the samples. The leachate pH values for all mixes tested did not significantly vary from the expected pH of 9.4 and none of the density values fell below 1.8 g/cm 3 . Overall, changes to the liquid effluent were found to have a minimal impact on the formulation suggesting the grout's ability to properly form despite increased temperatures and the presence of residuals typically found in the liquid effluent from the ARS.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Leaf functional traits highlight phenotypic variation of two tree species in the urban environment

Urbanization is transforming landscapes globally, altering environmental conditions that affect ecosystem functioning, particularly in urban areas where trees are crucial for regulating microclimates, improving air quality, and sustaining biodiversity. This study investigates the environmental differences and tree leaf structure and morphology in urban and suburban sites in the Chicago Metropolitan Region. The leaf functional traits of Norway Maple and Little − leaved Linden were studied in three locations in the summer of 2023: an urban park (University of Illinois Chicago, Chicago, IL), a suburban park (Morton Arboretum, Lisle, IL), and a suburban residential site (Lombard, IL). The urban site had higher daytime and nighttime air, and land surface temperatures compared to the suburban sites with significant fluctuations observed across the sites. Cumulative growing degree days, a measure of potential photosynthetically active days, were also higher in the urban park than in the suburban sites between March and August. Norway Maple trees growing in the urban site displayed higher specific leaf area (SLA) and lower leaf dry matter content (LDMC) than in the suburban sites, resulting in thinner leaves. Similarly, Little−leaved Linden trees in the suburban residential site displayed higher SLA and lower LDMC than those in the suburban park. The values of gas exchange traits − namely photosynthetic assimilation, transpiration rates, and stomatal conductance − of Norway Maple were higher at the urban site compared to suburban sites as temperatures increased during the summer. Norway Maple gas exchange values decreased as the growing season progressed, as expected by ontogeny. In contrast, Little−leaved Linden maintained similar leaf gas exchange values throughout the growing season. Both species in the urban site exhibited lower instantaneous water use efficiency and reduced LDMC, suggesting greater water loss in response to elevated temperatures compared to suburban park and residential sites. Comparisons with existing global trait databases emphasize the need for localized data to accurately capture site−specific responses. Although some traits aligned with database values, others deviated significantly, underscoring the importance of comprehensive, site−specific datasets for robust ecosystem modeling and management strategies.

Cho, Ahram↗
DOE OSTI2020

Chain flexibility and glass transition temperatures of poly(n-alkyl (meth)acrylate)s: Implications of tacticity and chain dynamics

The relationship between chain microstructure and glass transition temperature (T g ) is complicated for poly(alkyl methacrylate)s and poly(alkyl acrylate)s. Despite intensive studies, relationships between the structures of these polymers and their properties, including solution characteristics and T g , are still controversial. Solution properties, chain conformations, including Flory's characteristic ratio (C ∞ ), persistence length (l p ), and chain diameters, and T g are reported for series of poly(n-alkyl acrylate)s and poly(n-alkyl methacrylate)s having alkyl side chain lengths (n) ranging from 1 to 10 carbons in length, with uniform and well-characterized tacticities. Chain flexibilities of both series of polymers decrease as n increases, reflecting increased hindrances to rotation about backbone bonds as side chains become longer. Conversely, the T g s for both series of polymers decrease substantially as n increases, reflecting the greater side chain mobilities of long alkyl substituents. For shorter alkyl chain lengths, T g s for the poly(n-alkyl acrylate)s are much lower than for the corresponding poly(n-alkyl methacrylate)s, a difference which has been attributed in the past to the presumed reduced chain flexibility of polymethacrylates due to the presence of the α-methyl substituent. However, contrary to such expectations, C ∞ and l p values for these two series of polymers are nearly identical at a given n value, except for the longest n-alkyl substituents. Instead, the differences in T g may be attributed to the differences in tacticity of the two series – almost ideally atactic for the poly(n-alkyl acrylate)s but high in syndiotacticity for the poly(n-alkyl methacrylate)s. The T g s for the two series of polymers approach that of polyethylene at longer alkyl chain lengths. In addition, the effects of tacticity and chain dynamics on C ∞ , l p , and T g of poly(methyl methacrylate) is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tuning Perovskites’ Hydration-Induced Chemical Expansion with Octahedral Tilt Angles

Hydration-induced strains in proton-conducting oxides compromise chemo-mechanical stability when these materials are applied in protonic ceramic electrochemical cells. Here, to develop design principles for zero-strain materials, we systematically studied the hydration coefficients of chemical expansion (CCEs) in perovskite (Sr, Ba)(Ce, Zr, Y)O 3–x solid solutions with in situ dilatometry and thermogravimetric analysis in the range of 430–630 °C. By including and decoupling a wide range of tolerance factors and lattice parameters, we were able to identify a minimum in hydration CCEs (0–0.02) at intermediate tolerance factor values (t ≈ 0.95). Conversely, despite expectations of lower CCEs in larger unit cells, no general trend in CCE versus lattice parameter was found, and opposite trends could be seen for Sr(Ce, Zr, Y)O 3–x versus Ba(Ce, Zr, Y)O 3–x separately. In situ neutron diffraction (ND) enabled atomistic insight. Upon decreasing t, chemical strain anisotropy increased, but this trend did not match the U-shaped dependence of macroscopic CCEs on t. Instead, perovskites with intermediate t, hosting intermediate octahedral tilt angles in the nominally dry state, underwent the largest change in the B–O–B angles during hydration. Accommodating hydration through decreasing B–O–B angles is beneficial because it does not result in large lattice parameter changes. We propose an intermediate tolerance factor as a simple structural descriptor to enable near-zero hydration strains in proton-conducting perovskites.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Magnetic Properties of Tetravalent Pu in the Perovskites BaPuO 3 and SrPuO 3

BaPuO 3 and SrPuO 3 were synthesized, and their structures were refined in the orthorhombic space group Pbnm , a common distortion from the classic $Pm\bar{3}$m over barm cubic perovskite. Magnetic-susceptibility measurements, obtained as a function of temperature over the range of 1.8-320 K, exhibit temperature-dependent behavior, with evidence of long-range magnetic order at temperatures higher than their lanthanide and actinide analogues: BaPuO 3 below 164(1) K and SrPuO 3 below 76(1) K. Effective moments of 1.66(10)μ B for BaPuO 3 and 1.84(8)μ B for SrPuO 3 were obtained by fitting their paramagnetic susceptibilities using the Curie-Weiss law. Further, both are below the free-ion value of 2.68 μ B expected for a Pu 4+ 5 $\mid$ 4 ground level. Ab initio wave function calculations, performed at the relativistic complete active space level including spin-orbit coupling and with an embedded cluster approach that neglects interactions between Pu centers, were used to generate embedded-cluster Pu 4+ magnetic susceptibilities. The calculations agree well with experimental data at higher temperatures, providing evidence that a single-ion representation is sufficient to account for the observed paramagnetic behavior without the need to invoke charge transfer, disproportionation, strong covalent bonding, or other more complex electronic behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗