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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Review of the Influence of Processing Parameters on ODS Steels Produced via Additive Manufacturing Techniques

Abstract This paper reviews current observations regarding processing conditions for oxide dispersion-strengthened steels consolidated through additive manufacturing techniques. Variations in ODS steels observed across process parameters include changes in grain size, grain texture, oxide size, density of oxides, porosity, melt pool characteristics, and mechanical properties. These properties were then compared across techniques to understand which techniques and processing conditions lead to the highest strength, ductility, and oxide density. Current literature suggests that a mix of grain types, in the form of either morphology or phase, can significantly increase the strength of printed ODS steels. Meanwhile, the most ductile samples, regardless of consolidation technique or matrix material, were made from feedstock with oxide additions located on the powder surface. Reported grain and oxide sizes were plotted against the ratio of laser power to scan speed, volumetric energy density, and normalized enthalpy. No strong correlation between these values and microstructural features was observed. The plots that were made suggest that a larger data set, more in-depth representative equations, and more defined material properties as a function of specific feedstock used are necessary to determine a value that can be correlated to the printed ODS steel microstructure.

deJong, Matthew↗
DOE OSTI2015

Replication Concepts for Bioenergy Research Experiments

While there are some large and fundamental differences among disciplines related to the conversion of biomass to bioenergy, all scientific endeavors involve the use of bio- logical feedstocks. As such, nearly every scientific experiment conducted in this area, regardless of the specific discipline, is subject to random variation, some of which is unpredictable and unidentifiable (i.e., pure random variation such as variation among plots in an experiment, individuals within a plot, or laboratory samples within an experimental unit) while some is predictable and identifiable (repeatable variation, such as spatial or temporal patterns within an experimental field, a glasshouse or growth chamber, or among laboratory containers). Identifying the scale and sources of this variation relative to the specific hypotheses of interest is a critical component of designing good experiments that generate meaningful and believable hypothesis tests and inference statements. Many bioenergy feedstock experiments are replicated at an incorrect scale, typically by sampling feedstocks to estimate laboratory error or by completely ignoring the errors associated with growing feedstocks in an agricultural area at a field or farmland (micro- or macro-region) scale. As such, actual random errors inherent in experimental materials are frequently underestimated, with unrealistically low standard errors of statistical parameters (e.g., means), leading to improper inferences. The examples and guidelines set forth in this paper and many of the references cited are intended to form the general policy and guidelines for replication of bioenergy feedstock experiments to be published in BioEnergy Research .

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Perennial Bioenergy Crop Yield and Quality Response to Nitrogen Fertilization

At two sites in the North Central USA (Michigan (KBS) and Wisconsin (ARL)), we evaluated the effect of N fertilization on the yield and quality of five perennial bioenergy feedstock cropping systems: (1) switchgrass (Panicum virgatum L.), (2) giant miscanthus (Miscanthus × giganteus), (3) a native grass mixture (5 species), (4) an early successional field (volunteer herbaceous species), and (5) a restored prairie (18 species). In a randomized complete block design with 5 replicates and 2 split plots, N was applied at 0 and 56 kg ha –1 to split plots for each cropping system from 2010 to 2016. No yield response to N was detected in switchgrass at either location in any year. Giant miscanthus exhibited a positive yield response to N at both sites (11% at KBS and 83% at ARL). Nitrogen fertilizer addition significantly reduced glucose (KBS 12.9 and 13.8 g kg –1 year –1 , ARL 11.2 and 9.7 g kg –1 year –1 ) in the native grass mix and restored prairie systems respectively. Here, nitrogen fertilizer also reduced xylose at KBS in the switchgrasss, native grass mix, and restored prairie (4.9, 7.5, and 5.0 g kg –1 year –1 ). At ARL, N fertilization reduced xylose levels in switchgrass, giant miscanthus, and restored prairie (7.4, 6.8, and 6.2 g kg –1 year –1 ) and increased xylose levels in the early successional system (5.0 g kg –1 year –1 ).

09 BIOMASS FUELS↗
DOE OSTI2020

Biomass Production of Prairie Cordgrass (Spartina pectinata Link.) Using Urea and Kura Clover (Trifolium ambiguum Bieb.) as a Source of Nitrogen

Abstract Optimizing nitrogen (N) management is an important factor for sustainable perennial biomass systems. However, N application is costly, both financially and environmentally. Our objectives were to determine: (1) N rate and plant spacing effects on yield and yield components of prairie cordgrass swards and (2) fertilizer N replacement value (FNRV) of kura clover in prairie cordgrass-kura clover binary mixtures. Plots were established in Illinois, Minnesota, South Dakota, and Wisconsin, USA, in 2010. Kura clover was transplanted on 30-cm centers in all treatments in which it was a component; prairie cordgrass seedlings were transplanted within the kura clover on 60- and 90-cm centers. Monoculture prairie cordgrass stands were established at the same population densities of mixed stands and fertilized with 0, 75, 150, or 225 kg N ha -1 . Biomass was harvested in the autumn from 2011 to 2013. N (urea), year, plant spacing, and year × plant spacing affected prairie cordgrass production at all locations. Prairie cordgrass yield increased with N application, but the response varied by location. N application tended to increase prairie cordgrass tiller density and consistently increased tiller mass. Prairie cordgrass yield with 0 N was equal to or less than the yield of prairie cordgrass/kura clover mixtures at all locations in 2011 and 2012; however, kura clover provided a FNRV of 25–82 kg N ha -1 to prairie cordgrass in 2013. Kura clover has potential to provide N to prairie cordgrass in binary mixtures of these two species and on land that may not be easily farmed due to wetness.

Energy & Fuels↗
DOE OSTI2021

Nitrogen Fertilizer, Arbuscular Mycorrhizal Fungi, and Soil Nematodes Affect Lignin Quality and Quantity in Switchgrass (Panicum virgatum L.)

Plant lignin content and composition, which limit cell wall digestibility and efficiency of cellulose conversion to bioethanol, can be influenced by belowground biotic and abiotic factors. Switchgrass (Panicum virgatum L.) is a leading lignocellulosic biofuel crop and forms strong belowground associations with arbuscular mycorrhizal fungi (AMF), is susceptible to belowground plant-parasitic nematodes (PPN), and when grown in monoculture generally requires nitrogen (N) fertilization. The main objectives of the study were to investigate the effects of N fertilizer and belowground organisms on lignin content and composition of switchgrass. Here, leaf, stem, and root tissues were evaluated separately to test whether these factors had varying belowground (local) or aboveground (systemic) effects on plants. These factors were manipulated in a field study in 2017 using biocide applications to reduce soil fungi and nematodes. Combined biocide application reduced p-hydroxyphenyl (H) unit abundance in the leaves by 14% and increased the syringyl:guaiacyl (S:G) ratio in stems by 2%. Application of fungicide alone increased stem syringyl (S) unit by 12.4% as compared with control plots, and 11.1% as compared with nematicide plots. Overall, fertilizer increased total stem lignin by 3%, stem S unit by 6.7%, and stem S:G ratio by 10%, whereas it reduced the amount of H-unit in the roots by 11%. While the effects of N fertilizer were more pronounced in this study, changes to soil organisms had similar magnitudes of effect for some measures of lignin, indicating that these belowground interactions may be important for growers to consider in the future.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Atmospheric Solid Analysis Probe Coupled to Ion Mobility Spectrometry-Mass Spectrometry, a Fast and Simple Method for Polyalphaolefin Characterization

Polyalphaolefins (PAOs) are polymers produced from linear alpha olefins through catalytic oligomerization processes. The PAOs are known as synthetic high-performance base stock fluids used to improve the efficiency of many other synthetic products. In this study, we report the direct characterization of PAOs using atmospheric solid analysis probe (ASAP) coupled with ion mobility spectrometry-mass spectrometry (IMS-MS). We studied different PAOs grades exhibiting low- and high-viscosity index. Specific adjustments of the ASAP source parameters permitted the monitoring of ionization processes as three mechanisms could occur for these compounds: hydride abstraction, nitrogen addition, and/or the formation of [M−2H]{sup +•} ions. Several series of fragment ions were obtained, which allowed the identification of the alpha olefin used to synthesize the PAO. The use of the ion mobility separation dimension provides information on isomeric species. In addition, the drift time versus m/z plots permitted rapid comparison between PAO samples and to evidence their complexity. These 2D plots appear as fingerprints of PAO samples. To conclude, the resort to ASAP-IMS-MS provides a rapid characterization of the PAO samples in a direct analysis approach, without any sample preparation. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Emerging Tools to Support DILI Assessment in Clinical Trials with Abnormal Baseline Serum Liver Tests or Pre-existing Liver Diseases

Abstract Based on the late Dr. Hyman Zimmerman’s observation that hepatocellular drug-induced liver injury (DILI) leading to jaundice carries a ≥ 10% fatality risk (coined as Hy’s law by others), evaluation of Drug-Induced Serious Hepatotoxicity (eDISH) continues to play a central role in the assessment of a study drug’s liability for acute hepatocellular DILI. The eDISH identifies drugs in clinical trials with DILI fatality (death or transplant) risk that may be unacceptable in a post-market setting. As a two-dimensional graph that plots peak total bilirubin (TB) versus peak serum aminotransferase levels for each patient during study drug or comparator treatment, eDISH identifies potential cases of acute, modest, and serious hepatocellular DILI for in-depth analysis of liver tests (LT) and clinical course so that the likelihood of causal association with the study drug can be determined. Unfortunately, the generalizable utility of this tool only pertains to trials enrolling patients with normal or near normal (NNN) baseline (BL) serum LTs. The eDISH does not necessarily apply to trials of patients with abnormal baseline (ABN-BL) LTs that often coincide with underlying liver disorders. Because drug development programs being reviewed by the FDA increasingly target liver disorders, we are often challenged to evaluate DILI risk in trials of patients with ABN-BL LTs. Also, the high background prevalence of metabolic dysfunction associated steatotic liver disease (MASLD) means patients with LTs above NNN may need to be enrolled in trials treating non-liver disorders to reflect the target population. Such study populations create challenges for industry and regulators because eDISH may not reliably categorize or identify potential cases of DILI for further analysis, as it so efficiently does in NNN-BL trials. We describe the main functionalities of eDISH in NNN-BL trials to understand what should be emulated by new tools or eDISH modifications. We then discuss non-eDISH–based plots that may be useful in ABN-BL trials.

Amirzadegan, Jasmine↗
DOE OSTI2020

An Unmanned Aerial System (UAS) for concurrent measurements of solar-induced chlorophyll fluorescence and hyperspectral reflectance toward improving crop monitoring

Unmanned aerial system (UAS)-based remote sensing can provide high spatial- and temporal-resolution crop monitoring for precision management. Existing crop monitoring UAS primarily use conventional techniques such as multi-spectral broadband vegetation indices (VIs) to track canopy structure/biomass. Recently developed lightweight hyperspectral sensors can track crop physiology and performance via complementary signals such as solar-induced chlorophyll fluorescence (SIF) and photochemical reflectance index (PRI) that can be derived from hyperspectral reflectance. However, few existing UAS can acquire high-quality SIF and hyperspectral reflectance. Here, we designed a novel UAS that simultaneously captures far-red SIF and hyperspectral reflectance, using a single bifurcated fiber and motorized arm to measure downwelling and upwelling irradiance. The UAS was tested over (1) a heterogeneous corn field with spatially varying crop yield potential and (2) a set of soybean and corn plots under differing nutrient treatments. Our UAS can maintain stability under low-to-moderate winds (2–3 m/s) with <0.4 m geolocation accuracy, <0.1 m altitude drift, and <1.5° error of the fiber optic from nadir position during scanning. Weekly seasonal campaigns reveal that SIF outperforms conventional VIs such as the normalized difference vegetation index (NDVI) for distinguishing plots with different crop yield potential, especially after canopy closure when NDVI tends to saturate. The UAS can capture the diurnal dynamics of SIF and PRI for both corn and soybean. At the seasonal scale, SIF acquired from the UAS correlates well with that from a fixed SIF tower system ( R 2 = 0.81), which measured the same target albeit with different footprints, demonstrating the capability of UAS in characterizing the seasonal progression of crop activity. In conclusion, our newly developed UAS provides high-quality SIF and hyperspectral reflectance, facilitating mechanistic understanding of the physiological control on photosynthesis dynamics. Our findings also imply that this UAS could enable extension of fixed tower-based systems to monitor multiple targets from diurnal to seasonal scales and improve monitoring of heterogeneous fields.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Quantity and quality of water percolating below the root zone of three biofuel feedstock crop systems

Biofuel demand is on the rise, yet there is limited information available about the likely implications of increased planting of cellulosic biofuel crops on water and nutrient fluxes. To help address this gap, this study quantifies subsurface water, nitrate, and dissolved phosphorus fluxes below feedstock crops managed for biofuel production on naturally well drained soils in southern Wisconsin. Automated equilibrium tension lysimeters were used to measure subsurface (below root zone) fluxes of water and nutrients below continuous corn (CC), monoculture switchgrass (SG), and hybrid poplar (HP) cropping systems for three years. Average water fluxes below SG were nearly double those below CC and HP. Most of this difference can be linked to seasonal events, particularly during late winter and early spring when subsurface water fluxes and increased soil moisture were observed below SG plots, likely due to enhanced macropore flow. Nitrate fluxes were approximately 14 times higher below CC than the 37.4 kg NO 3 -N/ha three year annual average observed for SG; the nitrate fluxes were negligible below HP despite similar nitrogen application rates. The high flux in one of the two CC plots is likely due to excessive manure applications prior to the study period; however, the nitrate loss potential from CC is much higher than the perennial crops. Dissolved reactive phosphorus (DRP) concentrations were very low below all three cropping systems (average of 0.076, 0.083, 0.034 mg/L in SG, CC, and HP respectively). For the cropping systems evaluated, nitrate fluxes were driven by concentration differences in leachate and not influenced by nominal differences in N fertilizer inputs, whereas DRP fluxes were mainly driven by water fluxes and therefore independent of phosphorus inputs and soil test phosphorus. The data in this paper provide a foundation to better understand differences in fluxes below different biofuel cropping systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Heat Transfer Coefficients of Additively Manufactured Tubes with Internal Pin Fins for Supercritical Carbon Dioxide Cycle Recuperators

This paper describes the measurement of convective heat transfer coefficients and friction factors for sCO 2 flowing in additively manufactured tubes with internal pin fins at the US DOE’s National Energy Technology Laboratory in Morgantown, WV. The measurement procedures were validated by conducting benchmark tests with smooth stainless-steel tube and comparing the results with published correlations for Nusselt number (Nu) and friction factor. Over Reynolds numbers (ReD) ranging from 5 × 10 4 to 2.5 × 10 5 , measured Nu was within 5% of the Dittus-Boelter correlation and measured friction factors were within 5% of the McAdams correlation for smooth tube flow. The candidate pin fin patterned pipes were additively manufactured (AM) at the Oak Ridge National Laboratory. The pins were circular or elliptical in cross-section and were printed at a 30⁰ angle relative to the inner wall (to meet AM constraints). The pin arrangement was helical to promote enhanced heat transfer due to swirl flow. Pin length to diameter aspect ratio was 1.33, 2, and 8, while the pin diameter to tube diameter ratio was 0.188, 0.125, and 0.063. Tests were performed for ReD varying from 6.9 × 10 4 to 2.2 × 10 5 and at conditions equivalent to the low pressure (LP) outlet (8.69 MPa, 361 K) and the high pressure (HP) inlet (20.7 MPa, 350 K) of the low temperature recuperator (LTR) in an indirect sCO 2 cycle. The Wilson plot technique was utilized to measure the bulk heat transfer coefficients. For the best performing design (tube A, pin length to tube diameter ratio: 1.33, pin diameter to tube diameter ratio: 0.19), the local heat transfer coefficient increased by 136% relative to the Dittus-Boelter correlation at the LTR low pressure outlet and 194% at the LTR high pressure inlet. These correspond to a 282% and a 271% increase in the product of the heat transfer coefficient and surface area (adjusted for fin efficiency) product, respectively. Large pressure drops across the test articles were observed. For Tube Design A, the average friction factor, across the range of ReD considered, was significantly larger than the McAdams correlation at both the LTR LP outlet and the LTR HP inlet. A thermal performance factor was utilized to express the ratio of material required to build a finned heat exchanger relative to a finless heat exchanger with the same heat duty and pumping power. Tube Design A was estimated to decrease the required heat exchanger material by 13%.

Searle, Matthew↗
DOE OSTI2021

Arbuscular mycorrhizal fungal community responses to drought and nitrogen fertilization in switchgrass stands

Anthropogenic global change is increasing the severity and frequency of abiotic stresses such as drought that are likely to affect soil communities. Arbuscular mycorrhizal fungi (AMF) play important roles in many soil processes, so it is important to understand how drought affects AMF biodiversity. This is especially relevant in agricultural systems where crops rely on AMF associations for water and nutrient uptake, and where management decisions such as crop selection and fertilizer application may influence how the AMF community responds to drought. In this study, we examined the effects of reduced precipitation and nitrogen fertilization on AMF richness, community composition, and root and soil colonization in monocultures of two cultivars of switchgrass (Panicum virgatum) grown for bioenergy feedstock. We conducted a two-year field experiment using rain-out shelters to manipulate precipitation in mature stands of switchgrass growing in a long-term nitrogen fertilization (0 or 56 kg N ha –1 ) experiment at the W.K. Kellogg Biological Station Long-Term Ecological Research site in Michigan, USA. We expected that AMF richness and colonization would decrease due to drought, as predicted by the stress exclusion hypothesis. Contrary to our expectations, we found that drought stress increased AMF species richness in fertilized plots by 15%; there was no effect of drought on AMF richness in unfertilized plots. Drought also significantly altered AMF community composition, primarily due to increases in Rhizophagus taxa abundance, and reduced AMF root colonization in switchgrass by 6%. We also found variation in AMF richness and colonization across switchgrass cultivars as well as sampling dates. Furthermore, the changes in AMF richness and composition that we observed in this study may have implications for perennial bioenergy feedstock selection and management as changes in AMF communities may feedback to affect host plants.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Energetic basis on interactions between ferredoxin and ferredoxin NADP{sup +} reductase at varying physiological conditions

In spite of a number of studies to characterize ferredoxin (Fd):ferredoxin NADP{sup +} reductase (FNR) interactions at limited conditions, detailed energetic investigation on how these proteins interact under near physiological conditions and its linkage to FNR activity are still lacking. We herein performed systematic Fd:FNR binding thermodynamics using isothermal titration calorimetry (ITC) at distinct pH (6.0 and 8.0), NaCl concentrations (0–200 mM), and temperatures (19–28 °C) for mimicking physiological conditions in chloroplasts. Energetically unfavorable endothermic enthalpy changes were accompanied by Fd:FNR complexation at all conditions. This energetic cost was compensated by favorable entropy changes, balanced by conformational and hydrational entropy. Increases in the NaCl concentration and pH weakened interprotein affinity due to the less contribution of favorable entropy change regardless of energetic gains from enthalpy changes, suggesting that entropy drove complexation and modulated affinity. Effects of temperature on binding thermodynamics were much smaller than those of pH and NaCl. NaCl concentration and pH-dependent enthalpy and heat capacity changes provided clues for distinct binding modes. Moreover, decreases in the enthalpy level in the Hammond's postulate-based energy landscape implicated kinetic advantages for FNR activity. All these energetic interplays were comprehensively demonstrated by the driving force plot with the enthalpy-entropy compensation which may serve as an energetic buffer against outer stresses. We propose that high affinity at pH 6.0 may be beneficial for protection from proteolysis of Fd and FNR in rest states, and moderate affinity at pH 8.0 and proper NaCl concentrations with smaller endothermic enthalpy changes may contribute to increase FNR activity. - Highlights: • Energetics of Fd:FNR binding were examined by considering physiological conditions. • NaCl and pH affect energetically Fd:FNR binding with minimal effects of temperature. • Enthalpy and heat capacity may modulate binding kinetics and modes for FNR activity. • Entropy drives complexation by overcoming unfavorable enthalpy and tunes affinity. • Driving force plot reveals condition-dependent energetic interplays for complexation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

A heuristic tool to assess regional impacts of renewable energy infrastructure on conservation areas

Wind and hydropower are important renewable components of national energy portfolios, but their infrastructure negatively affects biodiversity. Regional development requires identification of scenarios that minimize the cumulative impacts of multiple facilities. We introduce the cumulative impact plot (CIP) to quantify cumulative impacts of renewable energy development within a region. Summed impacts of facilities are plotted as a function of the number of facilities, with facilities ranked by increasing (the best-case scenario) or decreasing (worst-case scenario) individual impact. These curves represent lower and upper bounds to which alternative development scenarios (e.g., facilities ranked by generating capacity) can be compared. We used CIPs to assess overlap of potential wind and hydropower facilities with two types of conservation area in the United States: (1) federally protected lands and (2) critical habitats of federally threatened and endangered species. Here, we evaluated two alternative scenarios: facilities ranked by (A) decreasing generating capacity and (B) increasing distance from urban centers. Differences between the best-case and worst-case scenarios were large, thus revealing opportunities to develop facilities with limited impact on conservation areas. Alternative scenarios maximizing energy density generally resulted in conservation area overlap intermediate to best-case and worst-case scenarios. CIPs can also identify the proportion of wind versus hydropower favored under alternative scenarios. Build-out scenarios aimed at minimizing conservation area overlap favor hydropower, whereas alternative scenarios favor wind power. We conclude that CIPs can (1) complement—but should not replace—project-level environmental impact assessment, (2) integrate strategic, cumulative, and scenario-based assessments, and (3) harness rapidly growing geospatial data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Woody bioenergy crop selection can have large effects on water yield: A southeastern United States case study

Short-rotation woody crops in the southeastern United States will make a significant contribution to the growing renewable energy supply over the 21st century; however, there are few studies that investigate how species selection may affect water yield. Here we assessed the impact of species selection on annual and seasonal water budgets in unvegetated plots and late-rotation 14–15-year-old intensively managed loblolly pine (Pinus taeda L.) and sweetgum (Liquidambar styraciflua L.) stands in South Carolina USA. We found that while annual aboveground net primary productivity and bioenergy produced was similar between species, sweetgum transpiration was 53% higher than loblolly pine annually and 92% greater during the growing season. Canopy interception was 10.5% of annual precipitation and was not significantly different between the two species. Soil evaporation was less than 1.3% of annual precipitation and did not differ between species, but was 26% of precipitation in unvegetated plots. Annual water yield was 69% lower for sweetgum than loblolly pine, with water yield to precipitation ratios of 0.13 and 0.39 for sweetgum and loblolly pine, respectively. If planted at a large scale, the high transpiration and low water yield in sweetgum could result in declines in downstream water availability relative to loblolly pine by the end of the growing season when storage in groundwater, streams, and water supply reservoirs are typically at their lowest. Our results suggest that species selection is of critical importance when establishing forest plantations for woody bioenergy production due to potential impacts on downstream water yield.

09 BIOMASS FUELS↗
DOE OSTI2014

Prediction of reinforcement corrosion using corrosion induced cracks width in corroded reinforced concrete beams

This paper studies the evolution of reinforcement corrosion in comparison to corrosion crack width in a highly corroded reinforced concrete beam. Cracking and corrosion maps of the beam were drawn and steel reinforcement was recovered from the beam to observe the corrosion pattern and to measure the loss of mass of steel reinforcement. Maximum steel cross-section loss of the main reinforcement and average steel cross-section loss between stirrups were plotted against the crack width. The experimental results were compared with existing models proposed by Rodriguez et al., Vidal et al. and Zhang et al. Time prediction models for a given opening threshold are also compared to experimental results. Steel cross-section loss for stirrups was also measured and was plotted against the crack width. It was observed that steel cross-section loss in the stirrups had no relationship with the crack width of longitudinal corrosion cracks. -- Highlights: •Relationship between crack and corrosion of reinforcement was investigated. •Corrosion results of natural process and then corresponds to in-situ conditions. •Comparison with time predicting model is provided. •Prediction of load-bearing capacity from crack pattern was studied.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A new quantification method based on SEM-EDS to assess fly ash composition and study the reaction of its individual components in hydrating cement paste

Calcareous fly ashes are high-potential reactive residues for blended cements, but their qualification and use in concrete are hindered by heterogeneity and variability. Current characterization often fails to identify the dominant, most reactive, amorphous fraction of the ashes. We developed an approach to characterize ashes using electron microscopy. EDS element composition of millions of points is plotted in a ternary frequency plot. A visual analysis reveals number and ranges of chemical composition of populations: silicate, calcium-silicate, aluminosilicate, and calcium-rich aluminosilicate. We quantified these populations in four ashes and followed their hydration in two Portland-ash systems. One ash reacted at a moderate rate: it was composed of 70 vol.% of aluminosilicates and calcium-silicates and reached 60% reaction at 90 days. The other reacted faster, reaching 60% at 28 days due to 55 vol.% of calcium-rich aluminosilicates, but further reaction was slower and 15 vol.% of phases, the silica-rich ones, did not react.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Adsorption of terbium (III) on DGA and LN resins: Thermodynamics, isotherms, and kinetics

Two commercially available extraction chromatography (EXC) resins containing N,N,N’,N’-tetra-n-octyldiglycolamide (DGA Resin, Normal, 50 – 100 μm) and Bis(2-ethylhexyl) phosphate (LN Resin, 100 – 150 μm) were used as adsorbents to study fundamental adsorption properties such as thermodynamic values, equilibrium isotherms, and kinetic uptake models for terbium(III) adsorption. Weight distribution ratios (D w ) for terbium on DGA and LN resins were measured using a [ 160 Tb]Tb 3+ radiometric tracer in nitric acid as a function of acidity, temperature, initial analyte concentration, and equilibrium time. The D w values showed increasing binding affinity for DGA resin at high nitric acid concentrations and decreasing binding affinity for LN resins. Thermodynamic studies for DGA and LN resins revealed that the Gibbs free energy (ΔG) increased consistently with temperature. To model equilibrium data, increasingly higher parameter equilibrium isotherm models (Henry (1) < Langmuir, Freundlich (2) < Redlich-Peterson (3) < Fritz-Schluender (4)) were compared on their root mean squared errors (RMSE) and adjusted determination coefficients to determine the most applicable model. In all cases, the empirical four-parameter Fritz-Schluender isotherm demonstrated a superior fit. Similar comparisons for reaction-based kinetic models (Pseudo-first-order < Pseudo-second-order < Pseudo-n-order) revealed that the higher-order PNO model yielded a superior fit of kinetic data for both resins. Furthermore, in some cases, adsorption isotherms and kinetic models could also be modeled by a lower-order model with minimal change in error parameters. Weber-Morris plots revealed that two linear sections are observed for each resin, where the first linear segment is attributed to fast (film diffusion) adsorption of terbium, followed by slower intraparticle diffusion of terbium through the pores as the rate-limiting step. Based on the Weber-Morris plot, both film and intraparticle diffusion are involved in controlling the kinetic rate of adsorption for DGA and LN resins.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2017

Relating microstructure, temperature, and chemistry to explosive ignition and shock sensitivity

An analysis is put forth that relates explosive properties including microstructure, temperature, and chemistry to explosive ignition and sensitivity. Unlike approaches that focus only on elucidating mesoscopic mechanisms important to ignition, the present analysis seeks a methodology directly applicable to continuum explosive burn models. Because the Scaled Uniform Reactive Front (SURF) burn model has a microstructural basis, it is chosen as the starting point of the present analysis. To build upon the SURF framework, a literal translation is performed of the high-level conceptual notions for which SURF is based, to concrete ignition–combustion parameters, a statistical description of the microstructure, and other thermo-chemical data acquired by non-shock experiments. The analysis requires a void volume fraction distribution acquired from ultra-small angle neutron scattering (USANS). The shock response of PBX 9502 is used to illustrate the theory. While the analysis requires calibration to a shock experiment (the pop plot, for example), the results are a self-consistent set of realistic physical quantities that contribute to the shock initiation process including, initial temperature, chemical kinetics, a statistical description of the microstructure, and the hot spot size, spacing, and temperature. The utility of having a mesoscale based theory is that once the critical hot spot temperature, as a function of shock pressure, is known for a given explosive and initial porosity distribution, the entire set of meso- and macro-scale results, including the pop plot can be calculated for any other porosity. Thus, one can understand changes in sensitivity at different densities (void size distributions), relying only on the assumption that the hot spot temperature curve would not differ significantly if the morphology of the hots spots were similar. Another important utility of the present analysis is to address the question of the role of initial temperature on the observed shock sensitivity of PBX 9502 and other explosives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗