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At least 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Equation of State for the Thermodynamic Properties of Trans-1,2-dichloroethene [R-1130(E)]

We present an empirical equation of state in terms of the Helmholtz energy for trans-1,2-dichloroethene [R-1130(E)]. The range of validity is from the triple-point temperature, 223.31 K to 525 K with pressures up to 30 MPa. It may be used to calculate all thermodynamic properties in the fluid phase, including liquid, gas, and supercritical regions. Comparisons are given with existing literature data and estimated uncertainties are provided. In addition, checks were made for correct extrapolation behavior so that the equation behaves in a physically realistic manner when used outside of its range of validity, enabling its use in mixture models. The estimated uncertainties (at a k = 2 or 95 % level of confidence) are based on comparisons with critically assessed data and are 0.25 % for vapor pressure for temperatures in the range 300 K < T < 454 K, rising to 1.5 % as the temperature decreases from 300 K to 265 K. For density in the liquid phase the estimated uncertainty is 0.14 % for temperatures 270 K < T < 410 K and for pressures up to 30 MPa. For the vapor phase the estimated uncertainty in density is 3 %. The uncertainty for liquid-phase heat capacity is 1 % at atmospheric pressure over the temperature range 268 K < T < 309 K, and the uncertainty for the speed of sound in the liquid phase is 0.25 % for temperatures 230 K < T < 420 K and for pressures up to 30 MPa. The uncertainties are larger outside of these specified ranges and in the critical region.

1,2-Dichloroethene↗
DOE OSTI2022

Devices for Thermal Conductivity Measurements of Electroplated Bi for X-ray TES Absorbers

Electroplated bismuth (Bi) is commonly used in transition-edge sensors (TESs) for X-rays because of its high stopping power and low heat capacity (Collan in Phys Rev B 1:2888, 1970, Yan in Appl Phys Lett 111:192602, 2017). Electroplated Bi is usually grown on top of another metal that acts as seed layer, typically gold (Au), making it challenging to extrapolate its thermoelectric properties. In this work, we present four-wire resistance measurement structures that allow us to measure resistance as a function of temperature of electroplated Bi independently of Au. The results show that the thermal conductivity of the Bi at 3 K is high enough to ensure the correct thermalization of X-ray photons when used as an absorber for TESs.

Bismuth↗
DOE OSTI2018

Determination of the Transition Temperature of a Weak Ferromagnetic Thin Film by Means of an Evolution of the Method Based on the Arrott Plots

The ferromagnetic transition temperature (T{sub c}) of a weak ferromagnetic thin film Cu{sub 0.38}Ni{sub 0.62} has been estimated by using an evolution of the Belov, Goriaga, and Arrott (BGA) model. In fact, the typically used measurements of the zero-field-cooled-field-cooled magnetic moment (m) as a function of temperature (T), the magnetic hysteresis loops (m(H)) as a function of field, and the temperature dependence of the remanent magnetic moment, performed on our sample, did not allow us to individuate precisely the value of T{sub c}, mainly due to the influence of thermal effects and noise on the weak ferromagnetic response of the sample, resulting in a large uncertainty in the estimation of T{sub c}. On the other hand, also the commonly used method of determining the T{sub c} by means of a linear extrapolation of the high-field region of m{sup 2} as a function of the normalized magnetic field (H/m) at different temperatures (Arrott curves), working though for our analyzed material, could not completely fulfill the basic assumptions of the BGA model in general. For these reasons, we have considered the analysis of the derivatives of the Arrott curves, starting from observing that the T{sub c} of the sample corresponds to the temperature where the curvature of the Arrott curves at low fields inverts. In this way, the sensitivity in the determination of the Curie point from the inductive measurements of the magnetic moment is improved while the correct assumptions of the Arrott model are also fully respected.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Magnetic Properties and Mössbauer Investigations of La{sub 0.67}Sr{sub 0.33}Fe{sub x}Mn{sub 1−x}O{sub 3} (x = 0 and 0.5) Perovskites

We report magnetic phase separation in pure La{sub 0.67}Sr{sub 0.33}Fe{sub x}Mn{sub 1−x}O{sub 3} (x = 0 and 0.5) ceramic samples. Rhombohedral crystal structures obtained with R3C space group show no significant changes in the lattice structures due to the close values of ionic radii of Fe{sup 3+} and Mn{sup 3+} ions. However, significant changes occur in the magnetic properties due to competing ferromagnetic (FM) and antiferromagnetic (AFM) interactions because of the presence of Fe{sup 3+} substitution. The FM double exchange interactions (DE) (Mn{sup 3+}–O–Mn{sup 4+}) appears suppressed by AFM superexchange interactions (Fe{sup 3+}–O–Mn{sup 4+}, Fe{sup 3+}–O–Fe{sup 3+}, Mn{sup 4+}–O–Mn{sup 4+}). The saturation magnetization for x = 0 has the highest value of approximately 80 emu/g at 2 K, which dropped significantly to approximately 5 emu/g at 2 K for the x = 0.5 sample. The coercivity (H{sub c}) for x = 0.5 increased from 161 Oe at 300 K to 786 Oe at 2 K compared with that of x = 0 which varied from 110 to 150 Oe. A value of H{sub c}(0) = 1.5 ± 0.04 kOe was extrapolated from the model fit to the temperature dependence of H{sub c}. The temperature-dependent {sup 57}Fe Mössbauer spectroscopy measurements show the presence of Fe in two different environments that have an AFM Fe{sup 3+}–O–Mn{sup 4+} and Fe{sup 3+/2+}–O–Fe{sup 3+/2+} coordination. The unequal fraction population of Fe ions at both AFM environments seems to increase the exchange bias effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Linear downscaling from MODIS to landsat: connecting landscape composition with ecosystem functions

The open and free access to Landsat and MODIS products have greatly promoted scientific investigations on spatiotemporal change in land mosaics and ecosystem functions at landscape to regional scales. Unfortunately, there is a major mismatch in spatial resolution between MODIS products at coarser resolution (≥ 250 m) and landscape structure based on classified Landsat scenes at finer resolution (30 m). Based on practical needs for downscaling popular MODIS products at 500 m resolution to match classified land cover at Landsat 30 m resolution, we proposed an innovative modelling approach so that landscape structure and ecosystem functions can be directly studied for their interconnections. As a proof-of-concept of our downscaling approach, we selected the watershed of the Kalamazoo River in southwestern Michigan, USA as the testbed. MODIS products for three fundamental variables of ecosystem function are downscaled to ensure the approach can be extrapolated to multiple functional measurements. They are blue-sky albedo (0–1), evapotranspiration (ET, mm), and gross primary production (GPP, Mg C ha -1 year -1 ). An object-oriented classification of Landsat images in 2011 was processed to generate a land cover map for landscape structure. The downscaling model was tested for the five Level IV ecoregions within the watershed. We achieved satisfactory downscaling models for albedo, ET, and GPP for all five ecoregions. The adjusted R2 was > 0.995 for albedo, 0.915–0.997 for ET, and 0.902–0.962 for GPP. The estimated albedo, ET, and GPP values appear different in the region. The estimated albedo was the lowest for water (0.076–0.107) and the highest for cropland (0.166–0.172). Estimated ET was the highest for the built-up cover type (525.6–687.1 mm) and the lowest for forest (209.7–459.7 mm). The estimated GPP was the highest for the build-up cover type (8.65–9.85 Mg C ha -1 year -1 ) and the lowest for forest. Estimated values for albedo, ET, and GPP appear reasonable for their ranges in the Kalamazoo River region and are consistent with values reported in the literature. Despite these promising results, the downscaling approach relies on strong assumptions and can carry substantial uncertainty. Finally, it is only valid at a spatial scale where similar climate, soil, and landforms exist (i.e., values in isolated patches of the same cover type are similar). Plausibly, the uncertainties associated with each estimation, as well as the model residuals, can be explored for other pattern-process relationships within the landscape.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

The Most Reliable and Precise Model to Determine Schottky Barrier Height and Photoelectron Yield Spectroscopy

Schottky barrier height (SBH), φ, plays a crucial role in the design of electronic and photo-electronic devices. In order to reckon SBH via internal photoemission (IPE), the technique is through extrapolating square root of IPE yield-and cube root of IPE yield-photon energy plots to zero before this work, this work was motivated by the most reliable and precise model to determine the SBH via IPE. A phenomenological model for connection IPE quantum yield and photon energy has been successfully established based on Fermi–Dirac distribution. The results of experimental observations fitted via the model indicate that the modeled quantum yield agrees well with experimental data. This model emphasizes the threshold of photon energy for calculating SBH, and the SBH of InN/GaN, p-type GaP/p-type Si, Pt/GaP, Au/GaAs, Si/SiO{sub 2} and Cu/SiO{sub 2} were obtained with high reliability after the method had been applied.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Lessons Learned in Employing Data Analytics to Predict Oxidation Kinetics and Spallation Behavior of High-Temperature NiCr-Based Alloys

Machine learning (ML) can offer many advantages in predicting material properties over traditional materials development methods based solely on limited experimental investigations or physical-based simulations with the capability to reduce development cost, risk, and time. However, so far, limited efforts have been made to predict alloy oxidation kinetics and spallation behavior via ML due to the lack of consistently measured and sufficient experimental data and the inherent complexity in oxidation behavior of multicomponent high-temperature alloys. A previous study reported the ability of ML to predict oxidation kinetics of NiCr-based alloys as a function of alloy composition and operating conditions. Here, the performance of a ML model in predicting rate constants and spallation probability was evaluated in light of the roles of the data distribution of the experimental dataset (data analytics), the alloy composition, the exposure environment and the chosen oxidation approach to extracting kinetic values from the measured mass changes (but using either a simple parabolic law or a statistical cyclic oxidation model). Potential strategies to improve the predictions and enhance the extrapolative capability of the previously trained model will be discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Depth and microtopography influence microbial biogeochemical processes in a forested peatland

Background and aims: Peat-accumulating wetlands have undulating surfaces of raised areas (hummocks) and depressions (hollows). Hummock-hollow microtopography in relation to the water table influences the distribution of plant species, root density, and microbial community composition, which could in turn alter carbon (C) and nitrogen (N) cycling within peatlands. We used paired hummock and hollow cores from a boreal, forested peatland to assess how microtopography influences peatland microbial function and, in turn, ecosystem C and N cycling. Methods: The peat was analyzed for microbial biomass and potential enzyme activity in 10 cm depth increments relative to the water table, resulting in two increments for hollows and three for hummocks, which has a raised increment above the water table. Results: Across hummocks and hollows, microbial C and N and fungal biomass generally decreased with depth from the peat surface. In contrast, potential enzyme activity often increased with depth, but this varied within enzyme functional groups according to topography, depth, or both. The potential enzyme activity of C-N degrading peptidases, for example, differed across the five topography × depth increments with the lowest rate in the aerated hummocks. Hummocks compose approximately 66% of the land area at our study site and would therefore underestimate C turnover by an average of 25% if solely used to extrapolate patterns across a forested bog. Conclusion: In conclusion, our results suggest that asynchrony in C and N cycling across the undulating surface of forested peatlands impacts our ability to accurately predict biogeochemical cycling across this important ecosystem.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Kinetic parameters of cationic polymerization of 1,3-dienes

A new technique for the determination of the concentration of active centers of polymerization and propagation rate constants for processes of cationic polymerization of conjugated dienes was proposed. The method consists of the quantitative calculation from the {sup 13}C NMR spectra of the concentration of the initial units of the polymer chain polydienes synthesized at different monomer conversions and the subsequent extrapolation of the obtained values to the zero monomer conversion. Using the proposed procedure, the chain propagation rate constants were determined for the cationic polymerization of isoprene and 1,3-pentadiene in the presence of a titanium tetrachloride–tert-butyl chloride catalytic system.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Geophysical methods reveal the soil architecture and subsurface stratigraphic heterogeneities across land-lake interfaces along Lake Erie

Abstract Purpose The land-lake interface is a unique zone where terrestrial and aquatic ecosystems meet, forming part of the Earth’s most geochemically and biologically active zones. The unique characteristics of this interface are yet to be properly understood due to the inherently high spatiotemporal variability of subsurface properties, which are difficult to capture with the traditional soil sampling methods. Geophysical methods offer non-invasive techniques to capture variabilities in soil properties at a high resolution across various spatiotemporal scales. Methods We combined electromagnetic induction (EMI), electrical resistivity tomography (ERT), and ground penetrating radar (GPR) with data from soil cores and in situ sensors to investigate hydrostratigraphic heterogeneities across land-lake interfaces along the western basin of Lake Erie. Results EMI revealed high spatial heterogeneities in ECa distribution across the land-lake interfaces, with higher values in the wetland and transition zones compared to the upland zone. Soil ECa maps matched soil maps from a public database with the hydric soil units delineated as high conductivity zones (ECa > 40 mS/m). ERT and GPR showed vertical variation in soil properties with clear stratigraphic boundaries, and correlation of ERT profiles with lithologs from piezometers revealed the stratigraphic units of silt–clay and till sequence down to 3.5 m depth which are consistent with the surficial geology of the study area. Conclusions These results validate the use of multiple geophysical methods for extrapolating soil properties and mapping stratigraphic structures at land-lake interfaces, thereby providing the missing information required to improve the earth system model (ESM) of coastal interfaces.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Interdiffusion and Intrinsic Diffusion in the Mg-Al System

Solid-to-solid diffusion couples were assembled and annealed to examine the diffusion between pure Mg (99.96%) and Al (99.999%). Diffusion anneals were carried out at 300 , 350 , and 400 C for 720, 360, and 240 hours, respectively. Optical and scanning electron microscopes were utilized to identify the formation of the intermetallic phases, -Al12Mg17 and -Al3Mg2 and absence of the -phase in the diffusion couples. Thicknesses of the -Al12Mg17 and -Al3Mg2 phases were measured and the parabolic growth constants were calculated to determine the activation energies for the growth, 165 and 86 KJ/mole, respectively. Concentration profiles were determined with electron microprobe analysis using pure elemental standards. Composition-dependent interdiffusion coefficients in Mg-solid solution, -Al12Mg17 and - Al3Mg2 and Al-solid solutions were calculated based on the Boltzmann-Matano analysis. Average effective interdiffusion coefficients for each phase were also calculated, and the magnitude was the highest for the -Al3Mg2 phase, followed by -Al12Mg17, Al-solid solution and Mg-solid solution. Intrinsic diffusion coefficients based on Huemann s analysis (e.g., marker plane) were determined for the ~38 at.% Mg in the -Al3Mg2 phase. Activation energies and the pre-exponential factors for the inter- and intrinsic diffusion coefficients were calculated for the temperature range examined. The -Al3Mg2 phase was found to have the lowest activation energies for growth and interdiffusion among all four phases studied. At the marker location in the -Al3Mg2 phase, the intrinsic diffusion of Al was found to be faster than that of Mg. Extrapolations of the impurity diffusion coefficients in the terminal solid solutions were made and compared to the available self- and impurity diffusion data from literature. Thermodynamic factor, tracer diffusion coefficients and atomic mobilities at the marker plane composition were approximated using available literature values of Mg activity in the -Al3Mg2 phase.

Boltzmann-Matano↗
DOE OSTI2017

Microstructure and Mechanical Properties of 21-6-9 Stainless Steel Electron Beam Welds

Welds can either be stronger or weaker than the base metals that they join depending on the microstructures that form in the fusion and heat-affected zones of the weld. In this paper, weld strengthening in the fusion zone of annealed 21-6-9 stainless steel is investigated using cross-weld tensile samples, hardness testing, and microstructural characterization. Due to the stronger nature of the weld, the cross-weld tensile tests failed in the base metal and were not able to generate true fusion zone mechanical properties. Nanoindentation with a spherical indenter was instead used to predict the tensile behavior for the weld metal. Extrapolation of the nanoindentation results to higher strains was performed using the Steinberg–Guinan and Johnson–Cook strength models, and the results can be used for weld strength modeling purposes. The results illustrate how microstructural refinement and residual ferrite formation in the weld fusion zone can be an effective strengthener for 21-6-9 stainless steel.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Long-Term Creep-Rupture Behavior of Alloy Inconel 740/740H

To explore potential application of Ni-based alloys for power generation at the higher temperatures and pressures needed to achieve high thermal to electrical-energy conversion efficiency, an extensive creep-rupture dataset covering up to 875 °C and almost 70,000 h for Inconel 740/740H was analyzed using Larson–Miller parameter and Wilshire approaches. The results were used to assess the relative effectiveness of the two analytical methods, both in describing the experimental data and, because of the breadth of the dataset, using analyses of its shorter-time data to make creep lifetime predictions for much more extended times, which were then directly compared to the measured rupture times. The respective methods were also used to predict creep-limited lifetimes relevant to power production (that is, 100,000 h or greater). Despite the complexity of the precipitation-strengthened Inconel 740/740H alloy and the generalized parametric approach of these methodologies, the predictions based on such were reasonably accurate when the entire dataset was analyzed. However, when the analysis was confined to only data for conditions yielding creep-rupture times < 5,000 h( about 65 % of the entire dataset), the Wilshire correlation yielded better prediction for longer time lifetimes due to the inherent instability of the specific Larson–Miller formalism used in this analysis when extrapolated significantly outside its analysis range.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microstructural Evolution of Tantalum During Deformation and Subsequent Annealing

Microstructure-aware models are necessary to predict the behavior of material based on process knowledge or to extrapolate mechanical properties of materials to environmental conditions which are not easily reproduced in the laboratory, e.g., nuclear reactor environments. Elemental Ta provides a relatively simple BCC system in which to develop a microstructural understanding of deformation processes which can then be applied to more complicated BCC alloys. In situ neutron diffraction during compressive deformation and subsequent heat treatment have been used to monitor the evolution of microstructural features in Ta throughout simulated processing steps. Crystallographic texture and dislocation density are determined as a function of first plastic strain, then temperature. Lattice strains are determined and attributed to stresses at macroscopic, grain and dislocation length scales. The increase of the dislocation density through deformation and subsequent recovery during heat treatment is monitored through the changing diffraction line profile. Also, randomization of the texture is used as a signature of recrystallization. The recovery of dislocations through annihilation is not observed to depend on the initial dislocation density in the range studied here. In contrast, recrystallization is observed to depend strongly on the initially dislocation density.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Chemical Composition on the Microstructure and Properties of the Ag-Ga-Ge Alloys

This study presents a comparison of thermodynamically calculated phase compositions of Ag-Ga-Ge alloys at fixed temperatures with phase analysis results of alloys annealed at respective temperatures. Three isothermal sections of the Ag-Ga-Ge system at 25, 100 and 300 °C have been extrapolated using optimized thermodynamic parameters from the literature. An experimental analysis of the microstructure was carried out using optical microscopy, scanning electron microscopy and energy-dispersive spectrometry. Results obtained by x-ray powder diffraction methods (identified phases and lattice parameters) were compared with the results of the predicted phase equilibria. Good overall agreement between experimental and calculated values was obtained. The Brinell hardness and electrical conductivity of selected alloys were measured and obtained results were analyzed with respect to their overall compositions and phase constituents.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Mechanical Properties and Corrosion Behavior of AA5754-AA6061 Dissimilar Aluminum Alloys Welded by Cold Metal Transfer

The trend of using lightweight materials in the automotive industry brings along the necessity of dissimilar welding of aluminum alloys such as AA5754 and AA6061. Hybrid structures in automobiles are subjected not only to mechanical forces but also corrosive effects of the environment. In this study, cold metal transfer welding, which is suitable for welding thin sheets and dissimilar materials, was applied to join AA5754 to AA6061. It was aimed to investigate the effect of weld heat input on mechanical properties and corrosion rate measured by the Tafel extrapolation method in 3.5 wt.% NaCl solution at room temperature. The tensile strength of AA5754-AA6061 joints tended to reduce with increasing heat input. Corrosion test results showed that the increased heat input decreased the corrosion resistance and caused intergranular corrosion besides pitting corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Preliminary Evaluation of the DUSTRAN Modeling Suite for Modeling Atmospheric Chloride Transport

This study investigates the potential of DUSTRAN, a dust dispersion modeling system developed by Pacific Northwest National Laboratory, to model the transport of sea salt aerosols (SSA). Results from DUSTRAN simulations run with historical meteorological data were compared against privately-measured chloride data at the near coastal Maine Yankee Nuclear Power Plant (NPP) and the Environmental Protection Agency-measured CASTNET data from Acadia National Park (NP). The comparisons have provided both encouragement as to the practical value of DUSTRAN’s CALPUFF model and suggestions for further software development opportunities. All modeled concentrations were within one order of magnitude of those measured and a few test cases showed excellent agreement between modeled and measured concentrations. However, there is a lack of consistency in discrepancy which may be due to inaccurate extrapolation of meteorological data, underlying model physics, and the source term. Future research will refine the software to better capture physical phenomena. Overall, results indicate that with parameter refinement, DUSTRAN has the potential to simulate atmospheric chloride transport from known sources to inland sites for the purpose of determining the corrosion susceptibility of various structures, systems, and components at the site.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Energy savings potential from improved building controls for the US commercial building sector

The U.S. Department of Energy’s (DOE’s) Building Technologies Office (BTO) sponsored a study to determine the potential national savings achievable in the commercial building sector through widespread deployment of best practice controls, elimination of system and component faults, and use of better sensing. Detailed characterization of potential savings was one source of input to set research, development, and deployment (RD&D) goals in the field of building sensors and controls. DOE’s building energy simulation software, EnergyPlus, was employed to estimate the potential savings from 34 measures in 9 building types and across 16 climates representing almost 57% of commercial building sector energy consumption. In addition to estimating savings from individual measures, three packages of measures were created to estimate savings from the packages. These packages represented an 1) efficient building, 2) typical building, and 3) inefficient building. To scale the results from individual measures or a package to the national scale, building weights by building type and climate locations from the Energy Information Administration’s 2012 Commercial Building Energy Consumption Survey (CBECS) were used. The results showed significant potential for energy savings across all building types and climates. The total site potential savings from individual measures by building type and climate location ranged between 0% and 25%. The total site potential savings by building type aggregated across all climates (using the CBECS building weights) for each measure varied between 0% and 16%. The total site potential savings aggregated across all building types and climates for each measure varied between 0% and 11%. Some individual measures had negative savings because correcting underlying operational problems (e.g., inadequate ventilation) resulted in increased energy consumption. When combined into packages, the overall national savings potential is estimated to be 29%; seven of the nine building types were in the range of 23 to 29% and two exceeded 40%. The total potential national site savings in for each building type ranged between 95x106 GJ (0.09 Quadrillion British thermal units [Quads]; Large Hotels) to 222x106 GJ (0.21 Quads; Large Office, Hospital Administrative areas, and College/University), resulting in total site savings of 1,393x106 GJ (1.32 Quads) when the three packages are applied to the U.S. commercial buildings stock. Using the source (or primary) energy conversion factors of 1.05 for natural gas and 3.14 for electricity resulted in an approximate potential primary energy savings of 2,912x106 GJ (2.76 Quads), which would be 15% of the sector’s 2015 use of approximately 18,991x106 GJ (18 Quads). Extrapolating the results for other building types not analyzed as part of this study, the primary energy savings could be in the range of 4,220x106 GJ to 5,275x106 GJ (4 to 5 Quads). If this savings potential is realized, it would be equivalent to not combusting 180 to 230 million tons of coal or reducing the energy impacts, at today’s energy intensities, of the per capita consumption of 12 to 15 million people in the U.S. To realize most of this potential savings, many gaps can be addressed through RD&D, as recommended in this paper.

Fernandez, Nick↗