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DOE OSTI2019

From Farms to Forests: Landscape Carbon Balance after 50 Years of Afforestation, Harvesting, and Prescribed Fire

Establishing reliable carbon baselines for landowners desiring to sustain carbon sequestration and identify opportunities to mitigate land management impacts on carbon balance is important; however, national and regional assessments are not designed to support individual landowners. Such baselines become increasingly valuable when landowners convert land use, change management, or when disturbance occurs. We used forest inventories to quantify carbon stocks, estimate annual carbon fluxes, and determine net biome production (NBP) over a 50-year period coinciding with a massive afforestation effort across ~80,000 ha of land in the South Carolina Coastal Plain. Forested land increased from 48,714 ha to 73,824 ha between 1951 and 2001. Total forest biomass increased from 1.73–3.03 Gg to 17.8–18.3 Gg, corresponding to biomass density increases from 35.6–62.2 Mg ha−1 to 231.4–240.0 Mg ha−1. Harvesting removed 1340.3 Gg C between 1955 and 2001, but annual removals were variable. Fire consumed 527.1 Gg C between 1952 and 2001. Carbon exported by streams was <0.5% of total export. Carbon from roots and other harvested material that remained in-use or in landfills comprised 49.3% of total harvested carbon. Mineral soil carbon accounted for 41.6 to 50% of 2001 carbon stocks when considering depths of 1.0 or 1.5 m, respectively, and was disproportionately concentrated in wetlands. Moreover, we identified a soil carbon deficit of 19–20 Mg C ha−1, suggesting opportunities for future soil carbon sequestration in post-agricultural soils. Our results provide a robust baseline for this site that can be used to understand how land conversion, forest management, and disturbance impacts carbon balance of this landscape and highlight the value of these baseline data for other sites. Our work also identifies the need to manage forests for multiple purposes, especially promotion of soil carbon accumulation in low-density pine savannas that are managed for red-cockaded woodpeckers and therefore demand low aboveground carbon stocks.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Modeling neutral defects in III-V ternary alloys with a special quasirandom structure: Analysis of As- and III-site point defects in InGaAs

While first-principles density functional theory modeling has become a vital tool to investigate defect properties in semiconductors, the lack of crystalline periodicity in pseudobinary random composition alloys, such as In 1−𝑥 ⁢Ga 𝑥 ⁢As, complicates such analyses. We present a simulation strategy to systematically take into account the variability in the local defect environment in order to predict statistical properties of neutral intrinsic defects in In 1−𝑥⁢ Ga 𝑥 ⁢As. We use a comprehensive sampling from a modest-sized 64-atom special quasirandom structure (SQS) to define a statistically representative set of defects, and use a 512-atom hypercell, a 2 × 2 × 2 supercell of SQS supercells, to achieve cell-size convergence. We articulate an equivalent site principle and describe how it constrains atomic chemical reference energies in computation of defect formation energies in pseudobinary alloys. A simple protocol for estimating reference energies for the Ga and In atoms sharing the III site succeeds in obtaining the equivalence of defects at Ga-sites and In sites in the SQS supercell, (<30 meV differences in average formation energies). For III-site defects, such as the As antisite As III , the statistical variability in formation energies is modest, ≈ 0.1–0.2 eV. The variability in formation energy at As-site defects, such as the As vacancy 𝑣 As , can be much larger, >1 eV. The As antisite is shown to be a low-energy defect and the most likely to be present in as-grown materials, just as in GaAs. All other defects are higher-energy defects unlikely to be important in native material, but potentially important in radiation-damaged material. With a strong variability in defect energies, especially on the As-site, explicit consideration of statistical variability due to compositional randomness will be imperative for meaningful and quantitative comparisons to experiment.

Density functional theory↗

DOE OSTI2025

Enhancing biomass flowability for entrained flow Gasification: The role of densification and torrefaction

Gasification presents a key strategy in addressing future energy demands while minimizing environmental impact. This has been recognized as a promising method to convert biomass to higher value products such as biofuels or hydrogen. Among gasification technologies, high-temperature and high-pressure reactors, particularly the R-GAS® system, emerge as an advanced option boasting superior conversion efficiency. However, akin to conventional high-temperature and high-pressure gasifiers, R-GAS® necessitates small particle sizes for optimal carbon conversion, a requirement yet to be fully explored for biomass. Hence, this study investigated the effectiveness of combined mechanical and thermal preprocessing techniques in modifying the physicochemical properties of biomass to suit gasification systems. Mechanical techniques including densification and pulverization, alongside thermal techniques such as torrefaction and steam explosion, were examined. The results demonstrate that torrefaction fosters producing of uniform granular material, enhancing flowability and reducing energy requirements for pulverization compared to steam explosion. Notably, torrefied corn stover exhibited lower internal friction angles and effective cohesion (40.09 ± 0.22° and 0.56 ± 0.01 kPa, respectively) compared to steam exploded corn stover (41.87 ± 0.65° and 0.83 ± 0.06 kPa, respectively), indicative of improved flowability. Additionally, pulverization of torrefied corn stover required approximately 16 % less energy than steam exploded corn stover and 91 % less energy than raw corn stover. Furthermore, the torrefaction-induced alterations in particle size, shape, and packing densities emphasize its potential to optimize flow and handling processes for gasification. These findings underline that densification followed by torrefaction effectively addresses biomass variability, leading to more efficient and sustainable energy conversion.

09 - BIOMASS FUELS↗

DOE OSTI2017

XRD and EBSD analysis of anisotropic microstructure development in cold rolled F138 stainless steel

The microstructural characteristics of deformation-processed materials highly influence their mechanical properties. For a complete characterization of a microstructure both local and global information must be gathered, which requires the combination of different analysis techniques. X-ray and Electron Backscatter Diffraction were used in the present paper to characterize the deformation induced in a cold rolled F138 austenitic stainless steel sample. The results obtained using laboratory and synchrotron X-ray sources were compared and combined with EBSD quantitative results, allowing the global and local characterization and orientation dependence of the deformation microstructure. A particular behavior was observed in the XRD data corresponding to the planes with < 220 >∥ ND, likely due to a smaller amount of defects accumulated in the crystals with that particular orientation. EBSD was used to separate the scans data into partitions and to calculate misorientation variables and parameters, showing that this behavior can be attributed to a combination of larger grain sizes, lower local boundary misorientations and dislocation densities for crystals having < 220 >∥ ND. Several conclusions, of general validity for the evaluation of microstructure anisotropy, can be extracted from the results. - Highlights: •Combined XRD and EBSD for studying microstructure gave a superb insight on anisotropic accumulation of defects. •W-H and CMWP methods were applied for checking consistency of results. •XRD showed that a smaller accumulation of defects occurred in crystals with < 220 >∥ ND. •High brilliance X-ray beam allowed to study the anisotropy of defect accumulation.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Nature of Zirconia on a Copper Inverse Catalyst Under CO 2 Hydrogenation Conditions

The growing concern over the escalating levels of anthropogenic CO 2 emissions necessitates effective strategies for its conversion to valuable chemicals and fuels. In this research, we embark on a comprehensive investigation of the nature of zirconia on a copper inverse catalyst under the conditions of CO 2 hydrogenation to methanol. We employ density functional theory calculations in combination with the Grand Canonical Basin Hopping method, enabling an exploration of the free energy surface including a variable amount of adsorbates within the relevant reaction conditions. Our focus centers on a model three-atom Zr cluster on a Cu(111) surface decorated with various OH, O, and formate ligands, noted Zr 3 O x (OH) y (HCOO) z /Cu(111), revealing major changes in the active site induced by various reaction parameters such as the gas pressure, temperature, conversion levels, and CO 2 /H 2 feed ratios. Further, through our analysis, we have unveiled insights into the dynamic behavior of the catalyst. Specifically, under reaction conditions, we observe a large number of composition and structures with similar free energy for the catalyst, with respect to changing the type, number, and binding sites of adsorbates, suggesting that the active site should be regarded as a statistical ensemble of diverse structures that interconvert.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Achieving 5,000-h and 8,000-h Low-PGM Electrode Durability on Automotive Drive Cycles

Whereas total Pt loading in anode and cathode catalysts below 0.125 mg cm −2 is required to meet the stringent cost target for automotive fuel cell systems (FCS) for light duty vehicles, low-loaded cathode catalysts are susceptible to unacceptable aging-related performance losses at high current densities. A framework model, validated by accelerated stress test data, has identified cell voltage, relative humidity (RH) and temperature as the key operating variables that affect degradation of a high-activity d-PtCo/C cathode catalyst with 0.1 mg cm −2 Pt loading. Drive cycle simulations indicate that these can be controlled by properly selecting the minimum FCS power, compressor-expander module (CEM) turndown, and stack coolant temperature. The optimum system parameters are 4-kW e minimum power for an 80-kW e FCS, CEM turndown of 12.5, and 66 °C average coolant exit temperature that combine to limit the maximum cell voltage to 850 mV and outlet RH to 90%–100%. Depending on Pt loading, the mismatch between actual and allowable degradation for 10% power loss over 5,000-h lifetime requires the stack to be oversized by 2.4%–5%, resulting in 8.4%–41% lower Pt utilization and 7.1%–20.5% penalty in stack cost. The corresponding results for 8,000-h lifetime are 10.3%-14% stack oversizing, 23%–51.8% lower Pt utilization, and 24.1%–35.4% stack cost penalty.

08 HYDROGEN↗

DOE OSTI2020

Fiberboard Properties and Degradation Rates for Storage of 9975 Shipping Package in KAC (2020 Status Report)

Savannah River Site (SRS) stores plutonium materials within model 9975 shipping packages in the K-Area Complex (KAC). The 9975 shipping package consists of a 35 gallon stainless steel drum, Celotex fiberboard insulation, lead shield, and primary and secondary containment vessels. The 9975 shipping package design, performance, and analysis for safe transport of radioactive material are described in the Safety Analysis Report for Packaging (SARP). Celotex fiberboard provides three safety functions: thermal insulation to limit internal temperature during a fire, criticality control, and resistance to package crushing. The fiberboard material must retain its dimensions and density within certain ranges to provide the required impact resistance, criticality control, and fire resistance. The SRS Surveillance Program monitors material performance to establish a basis for service life and ensures the continued integrity of 9975 packages. Fiberboard samples, taken from multiple fiberboard assemblies fabricated from cane and softwood fiberboard, have been conditioning in elevated temperature environments since 2005. The samples are periodically examined to monitor thermal, mechanical, and physical properties, and assess degradation trends. Fiberboard properties of interest that are evaluated to demonstrate acceptable long-term performance include dimensional stability, density, compressive strength, thermal conductivity, and specific heat capacity. Duplicate samples from multiple package sources have been tested to identify the range of variability in fiberboard properties and degradation rates. Baseline and long-term testing of fiberboard material properties have been reported previously; reference 6 summarized experimental results of cane and softwood fiberboard through May 2019 and presented degradation models for the measured properties. This report presents the cumulative data collected through June 2020 and the corresponding updated aging models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Implications of Aerosol Physicochemical Properties Including Ice Nucleation at ARM Mega Sites for Improved Understanding of Microphysical Atmospheric Cloud Processes (Final Technical Report)

Continuous, long-term measurements of atmospheric ice-nucleating particles (INPs) that influence clouds and precipitation were conducted to investigate the abundance and variability of ground-level INPs across the world. Three field campaigns were organized by the DOE Atmospheric Radiation Measurement (ARM) program, including Examining INP from Southern Great Plains (ExINP-SGP, 2019), Examining INP from Eastern North Atlantic (ExINP-ENA, 2020 – 2021), and Examining INP from North Slope of Alaska (ExINP-NSA, 2021 – 2024). Additional small-scale supporting field experiments were performed in 2019 and 2021 to collect airborne particulate matter at SGP for complementary laboratory characterization of the particles’ physical and chemical properties [Aerosol-Ice Formation Closure Pilot Study (AEROICESTUDY), 2019; ExINP-SGP II, 2021]. In these studies, the PI’s team measured INP concentration with both real-time and laboratory measurements in a wide range of freezing temperatures ($T$ from 0 °C to about –30 °C). This project elucidated spatial variability and seasonality in the abundance of immersion mode active INPs across three ARM sites using a single instrument, a Portable Ice Nucleation Experiment (PINE) chamber version 03 (PINE-03 hereafter). Collocated aerosol and meteorological data were analyzed to assess the correlation between ambient INP abundance, air mass origin region, and meteorological variability. Our findings suggest very high freezing efficiency of INPs at the NSA site across the measured temperatures (ice nucleation active surface site density, $n_s(T)$, $\approx 2 \times 10^{8} - 10^{10}$ m -2 for from –16 to –31 °C), which is a factor of 10 – 1000 times greater efficiency as compared to that found in the previous mid-latitude INP measurements in autumn using the same instrument; surprisingly high INP abundance ($\ge 1 \text{ L}^{-1}$ at –25 °C) for the examined temperatures throughout the year that PINE-03 did not measure at other sites; and high INP concentration in spring, possibly related to arctic haze episodes.

58 GEOSCIENCES↗

NASA NTRS1977

Satellite observations of new infrared sources

Preliminary results are reported for satellite observations of about 1000 IR sources at a wavelength of 2.7 microns. The observations were made in the declination zone between +10 and -10 deg to a limiting flux of 4 by 10 to the -16th power W/sq cm per micron. Of 83 previously unobserved sources, twenty are identified with late-type stars having visual magnitudes of 6 to 9. The nine sources with available luminosity classifications are found to be giant stars, and flux densities at 2.2 and 3.6 microns are predicted for four unreddened stars among these. Three other detected sources are positively identified with red variable stars; twenty more are tentatively identified as such. It is suggested that some of the 40 blank-field 2.7-micron sources detected at high galactic latitude may be Mira variables with thick dust shells located at large distances from the galactic plane.

Heinsheimer, T. F.↗

NASA NTRS1979

The reflection of impulses from a nonlinear random sea

A model of the reflection of radar impulses from the sea at near-vertical incidence is used to account for non-Gaussian ocean waves statistics. The joint probability density function (pdf), of wave height and slope, is calculated according to the theory of Longuet-Higgins (1963) on the distribution of variables in a 'weakly nonlinear' random era. The long-crested approximation is made, a Phillips wave spectrum is assumed, and the Gram-Charlier series is truncated after skewness terms. It is found that the height and height-slope skewness coefficients bear the ratio 1:2 and that the derived impulse response and conditional cross section versus wave height are in excellent agreement with previous observations. Finally, it is suggested that the empirically determined and theoretically predicted sea state bias be corrected for in the routine processing of satellite radar altimeter data.

Jackson, F. C.↗

NASA NTRS1988

Shuttle high resolution accelerometer package experiment results - Atmospheric density measurements between 60-160 km

Indirect or inferred values of atmospheric density encountered by the Shuttle Orbiter during reentry have been calculated from acceleration measurements made by the High Resolution Accelerometer Package (HiRAP) and the Orbiter Inertial Measurement Unit (IMU) liner accelerometers. The atmospheric density data developed from this study represent a significant gain with respect to the body of data collected to date by various techniques in the altitude range of 60 to 160 km. The data are unique in that they cover a very wide horizontal range during each flight and provide insight into the actual density variations encountered along the reentry flight path. The data, which were collected over about 3 years, are also characterized by variations in solar activity, geomagnetic index, and local solar time. Comparison of the flight-derived densities with various atmospheric models have been made, and analyses have attempted to characterize the data and to show correlation with selected physical variables.

Blanchard, R. C.↗

NASA NTRS1989

Computation of hypersonic flow fields

The present discussion of the theory, solution methods, and development status of chemically reactive flow CFD codes pertaining to the flow field around a hypersonic vehicle encompasses the formulation of multicomponent viscous equations, grid-generation techniques, and finite-difference algorithms. The Navier-Stokes equations presented focus on such particularities of high speed vehicles as their aerodynamic configuration, lee and wake flow, bow shock, and chemistry and low density effects. Issues for which further development is desirable encompass boundary treatments, grid quality, shock capturing, and the decoupling of chemistry from flow variables.

Li, Chien-Peng↗

NASA NTRS1990

Resonant excitation of internal gravity waves in cluster cooling flows

Orbital motions of galaxies in X-ray clusters will resonantly excite internal gravity waves (g-waves) that propagate in the plasma. The resonance corresponds to a match between the local Brunt-Vaisala oscillation frequency in the plasma and the appropriate Fourier component of the galactic gravitational potential. Radiated internal waves have an inward group velocity that carries them to the central region of the flow where they become tightly wrapped, geometrically amplified, and eventually dissipated. Waves transport energy and angular momentum, but probably not in amounts large enough to grossly alter the structure of a cooling flow, should one be present. All physical flow variables are finite at the resonance, and all energy and angular momentum deposited by a galaxy is carried inward by the waves. Nonlinear density and velocity fluctuations are likely to result from wave amplitude growth in the central regions of the flow, and a connection with the formation of emission-line filaments is a possibility.

Balbus, Steven A.↗

NASA NTRS1991

Milliarcsecond radio structure of weak-lined T Tauri stars

VLBI and VLA observations of six radio-bright weak-lined T Taur (WTT) stars are reported, as well as direct measurements of the sizes of the emitting regions. VLBI measurements established that essentially all the radio emission from these premain-sequence stars originates in regions 15 stellar radii or less in size. Corresponding brightness temperatures ranged from 10 exp 7.5 to not less than 10 exp 9 K, ruling out a thermal process such as free-free bremsstrahlung radiation from a circumstellar wind. The radio luminosity and structure of several stars changed significantly between measurements separated by 1 day. HD 283447 showed intraday radio variability on time scales as short as 1 hr. Corresponding VLBI measurements show a new unresolved component appearing after an increase in flux density, possibly indicating that the driving agent for larger radio flares originates close to the star. The high conformation rate of nonthermal radio emission from this initial sample of radio-bright WTT stars show that these solar-type premain-sequence stars alter their immediate environments via magnetic processes to an extent comparable to that shown by RS CVn or Algol close binaries.

Phillips, R. B.↗

NASA NTRS1993

Testing For Parasitic Lasing With Controlled Retroreflection

Controlled-retroreflection technique provides new capability to test safely for parasitic oscillations in laser. Continuously variable reflector adjusted continuously over dynamic range of about 3 decades by rotation of quarter-wave plate about optical axis. Neutral-density filter establishes maximum reflectivity. By selection of neutral-density filters and continuous adjustment, reflector made to have any reflectivity from about 1 down to 10 to the negative 8th power.

Storm, Mark E.↗

NASA NTRS1994

Ginga and ROSAT observations of the cataclysmic variable S193

The cataclysmic variable S193 was observed with the Ginga and ROSAT satellites, along with ground-based optical observations. The bremsstrahlung temperatures and the column densities derived from these two observations are noticeably different. However, since the observations were separated by 3 yr and took place at different optical magnitudes, it is not clear whether this is related to an intrinsic change in the system or to a two component source of X-rays. While the X-ray data are not sufficient to accomplish a detailed analysis for periodicities, the Ginga data place an upper limit of 40% on the amplitude of any sinusoidal modulation.

Szkody, Paula↗

NASA NTRS1995

Theta(1) and gamma Tauri: Understanding the coronal structure of Hyades giants. EUV spectroscopy of BY Dra systems

These programs involve: (1) analysis and interpretation of EUVE spectrometer observations of the active giant beta Cet in comparison to the Hyades giant theta(1) Tau, and (2) analysis and interpretation of EUVE spectrometer observations of the BY Dra systems FK Aqr, DH Leo, and BH Lyn. EUVE carried out observations of beta Cet, but has yet to perform an observation of theta(1) Tau. In beta Cet, a number of Fe lines from high ionization species were observed, up to Fe XXIV. The spectrum overall resembles that seen in the active binary Capella (alpha Aur). All three BY Dra systems were observed by EUVE, and show evidence of high temperature (approximately 10(exp 7) K) plasma; FK Aqr and DH Leo show significant variability in their Deep Survey lightcurves. In FK Aqr, spectral differences between its 'quiescent' and 'active' states suggest possible differences in the plasma density. In DH Leo, the Deep Survey lightcurve, taken over nearly 8 days, shows a distinct period of approximately 1.05 days, similar to the photometric period. The emission measure distributions of all three systems are rather similar in shape, and can be well-represented by a power law with slope approximately 1.5 from 6.2-7.0 in log T.

Stern, Robert A.↗

NASA NTRS2004

Analysis of Upper Air, Ground and Remote Sensing Data For the ATLAS Field Campaign in San Juan, Puerto Rico

The Atlas San Juan Mission was conducted in February 2004 with the main objectives of observing the Urban Heat Island of San Juan, providing high resolution data of the land use for El Yunque Rain Forest and for calibrating remote sensors. The mission was coordinated with NASA staff members at Marshall, Stennis, Goddard, and Glenn. The Airborne Thermal and Land Applications Sensor (ATLAS) from NASA/Stennis, that operates in the visual and IR bands, was used as the main sensor and was flown over Puerto Rico in a Lear 23 jet plane. To support the data gathering effort by the ATLAS sensor, remote sensing observations and upper air soundings were conducted along with the deployment of a number of ground based weather stations and temperature sensors. This presentation focuses in the analysis of this complementary data for the Atlas San Juan Mission. Upper air data show that during the days of the mission the Caribbean mid and high atmospheres were relatively dry and highly stable reflecting positive surface lifted index, a necessary condition to conduct this suborbital campaign. Surface wind patterns at levels below 850mb were dominated by the easterly trades, while the jet stream at the edge of the troposphere dominated the westerly wind at levels above 500mb. The jet stream remained at high latitudes reducing the possibility of fronts. In consequence, only 8.4 mm of precipitation were reported during the entire mission. Observation of soundings located about 150 km apart reflected minimum variations of the boundary layer across the island for levels below 850 meters and a uniform atmosphere for higher levels. The weather stations and the temperature sensors were placed at strategic locations to observe variations across the urban and rural landscapes. Time series plot of the stations' data show that heavily urbanized commercial areas have higher air temperatures than urban and suburban residential areas, and much higher temperatures than rural areas. Temperature differences [dT(U-R)] were obtained by subtracting the values of several stations from a reference urban station, located in the commercial area of San Juan. These time series show that the UHI peaks during the morning between 10:00am and noon to an average of 4.5 C, a temporal pattern not previously observed in similar studies for continental cities. It is also observed a high variability of the UHI with the precipitation patterns even for short events. These results may be a reflection of a large land use density by low level buildings with an apparent absence of significant heat storage effects in the urban areas, and the importance of the surrounding soil and vegetation moisture in controlling the urban tropical climate. The ATLAS data was used to determine albedo and surface temperature patterns on a 10m scale for the study area. These data were used to calibrate the spatial distribution of the surface temperature when using remote sensing images from MODIS (Moderate Resolution Imaging Spectroradiometer). Surface temperatures were estimated using the land surface temperature product MOD11_L2 distributed by the Land Process Distributed Active Archive Center (LP DAAC). These results show the maximum, minimum and average temperatures in San Juan and in the entire Island at a resolution of 1 km. The information retrieved from MODIS for land surface temperatures reflected similar temporal and spatial variations as the weather stations and ATLAS measurements with a highest absolute offset of about 5 C due to the differences between surface and air temperatures.

Gonzalez, J. E.↗