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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

The phase diagram of Ti-6Al-4V at high-pressures and high-temperatures

We report results from a series of diamond-anvil-cell synchrotron x-ray diffraction and large-volume-press experiments, and calculations, to investigate the phase diagram of commercial polycrystalline high-strength Ti-6Al-4V alloy in pressure–temperature space. Up to ~30 GPa and 886 K, Ti-6Al-4V is found to be stable in the hexagonal-close-packed, or α phase. The effect of temperature on the volume expansion and compressibility of α–Ti-6Al-4V is modest. The martensitic α → ω (hexagonal) transition occurs at ~30 GPa, with both phases coexisting until at ~38–40 GPa the transition to the ω phase is completed. Between 300 K and 844 K the α → ω transition appears to be independent of temperature. ω–Ti-6Al-4V is stable to ~91 GPa and 844 K, the highest combined pressure and temperature reached in these experiments. Pressure–volume–temperature equations-of-state for the α and ω phases of Ti-6Al-4V are generated and found to be similar to pure Ti. A pronounced hysteresis is observed in the ω–Ti-6Al-4V on decompression, with the hexagonal structure reverting back to the α phase at pressures below ~9 GPa at room temperature, and at a higher pressure at elevated temperatures. Based on our data, we estimate the Ti-6Al-4V α–β–ω triple point to occur at ~900 K and 30 GPa, in good agreement with our calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Physical Interpretation of Mixing Diagrams: Interpretation of Mixing Diagrams

Type of mixing at cloud edges is often determined by means of mixing diagrams showing the dependence of normalized cube of the mean volume radius on the dilution level. The mixing diagrams correspond to the final equilibrium state of mixing between two air volumes. While interpreting in situ measurements, scattering diagrams are plotted in which normalized droplet concentration is used instead of dilution level. Utilization of such scattering diagrams for interpretation of in situ observations faces significant difficulties and often leads to misinterpretation of the mixing process and to uncertain conclusions concerning the mixing type. In this study we analyze the scattering diagrams obtained by means of a Lagrangian-Eulerian model of a stratocumulus cloud. The model consists of 2,000 interacting Largangian parcels which mix with their neighbors during their motion in the atmospheric boundary layer. In the diagram, each parcel is denoted by a point. Changes of microphysical parameters of the parcel are represented by movements of the point in the scattering diagram. The method of plotting the scattering diagrams using the model is in many aspects similar to that used in in situ measurements. It is shown that a scattering diagram shows snapshots of a transient mixing process. The location of points in the scattering diagrams reflects largely the history and the origin of air parcels. Location of points on scattering diagram characterizes intensity of entrainment, and different parameters of droplet size distributions (DSDs) like concentration, mean volume (or effective) radius, and DSD width.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Potential-pH diagrams considering complex oxide solution phases for understanding aqueous corrosion of multi-principal element alloys

The potential-pH diagram, a graphical representation of the thermodynamically predominant reaction products in aqueous corrosion, is originally proposed for the corrosion of pure metals. The original approach only leads to stoichiometric oxides and hydroxides as the oxidation products. However, numerous experiments show that non-stoichiometric oxide scales are prevalent in the aqueous corrosion of alloys. In the present study, a room temperature potential-pH diagram considering oxide solid solutions, as a generalization of the traditional potential-pH diagram with stoichiometric oxides, is constructed for an FCC single-phase multi-principal element alloy (MPEA) based on the CALculation of PHAse Diagram method. The predominant reaction products, the ions in aqueous solution, and the cation distribution in oxides are predicted. The oxide solid solution is stabilized by the mixing free energy (or mixing entropy) and the stabilizing effect becomes more significant as the temperature increases. Consequently, solid solution oxides are stable in large regions of the potential-pH diagram and the mixing free energy mostly affects the equilibrium composition of the stable oxides, while the shape of stable regions for oxides is mostly determined by the structure of the stable oxides. Agreements are found for Ni 2+ , Fe 2+ , and Mn 2+ between the atomic emission spectroelectrochemistry measurements and thermodynamic calculations, while deviations exist for Cr 3+ and Co 2+ possibly due to surface complexation with species such as Cl - and the oxide dissolution. By incorporating the solution models of oxides, the current work presents a general and more accurate way to analyze the reaction products during aqueous corrosion of MPEAs.

Materials Science↗
DOE OSTI2017

Cuprate phase diagram and the influence of nanoscale inhomogeneities

The phase diagram associated with high-T c superconductors is complicated by an array of different ground states. The parent material represents an antiferromagnetic insulator but with doping superconductivity becomes possible with transition temperatures previously thought unattainable. The underdoped region of the phase diagram is dominated by the so-called pseudogap phenomena, whereby in the normal state the system mimics superconductivity in its spectral response but does not show the complete loss of resistivity associated with the superconducting state. An understanding of this regime presents one of the great challenges for the field. In the present study we revisit the structure of the phase diagram as determined in photoemission studies. By careful analysis of the role of nanoscale inhomogeneities in the overdoped region, we are able to more carefully separate out the gaps due to the pseudogap phenomena from the gaps due to the superconducting transition. Within a mean-field description, we are thus able to link the magnitude of the doping-dependent pseudogap directly to the Heisenberg exchange interaction term, JΣs i s j , contained in the t-J model. This approach provides a clear indication that the pseudogap is associated with spin singlet formation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Repainting the colour–mass diagrams by unearthing the green mountain: dust-rich S0 galaxies in the colour–(galaxy stellar mass) diagram, and the colour–(black hole mass) relations for dust-poor versus dust-rich galaxies

ABSTRACT Lenticular galaxies are notoriously misclassified as elliptical galaxies and, as such, a (disc inclination)-dependent correction for dust is often not applied to the magnitudes of dusty lenticular galaxies. This results in overly red galaxy colours, impacting their distribution in the colour–magnitude diagram. It is revealed how this has led to an underpopulation of the ‘green valley’ by hiding a ‘green mountain’ of massive dust-rich lenticular galaxies – known to be built from gas-rich major mergers – within the ‘red sequence’ of colour–(stellar mass) diagrams. Correcting for dust, a ‘green mountain’ appears at M*,gal ∼ 1011 M⊙, along with signs of an extension to lower masses producing a ‘green range’ or ‘green ridge’ on the green side of the ‘red sequence’ and ‘blue cloud.’ The ‘red sequence’ is shown to be comprised of two components: a red plateau defined by elliptical galaxies with a near-constant colour and by lower-mass dust-poor lenticular galaxies, which are mostly a primordial population but may include faded/transformed spiral galaxies. The presence of the quasi-triangular-shaped galaxy evolution sequence, previously called the ‘Triangal’, is revealed in the galaxy colour–(stellar mass) diagram. It tracks the speciation of galaxies and their associated migration through the diagram. The connection of the ‘Triangal’ to previous galaxy morphology sequences (Fork, Trident, and Comb) is also shown herein. Finally, the colour–(black hole mass) diagram is revisited, revealing how the dust correction generates a blue–green sequence for the spiral and dust-rich lenticular galaxies that is offset from a green–red sequence defined by the dust-poor lenticular and elliptical galaxies.

Graham, Alister W. (ORCID:0000000264969414)↗
DOE OSTI2018

Moving beyond the van Krevelen diagram: A new stoichiometric approach for compound classification in organisms

van Krevelen diagrams (O:C vs H:C ratios of elemental formulas) have been widely used in studies to obtain an estimation of the main compound categories present in environmental samples. However, the limits defining a specific compound category based solely on O:C and H:C ratios of elemental formulas have never been accurately listed or proposed to classify metabolites in biological samples. Furthermore, while O:C vs. H:C ratios of elemental formulas can provide an overview of the compound categories, such classification is inefficient because of the large overlap among different compound categories along both axes. We propose a more accurate compound classification for biological samples analyzed by high-resolution mass spectrometry-based on an assessment of the C:H:O:N:P stoichiometric ratios of over 130,000 elemental formulas of compounds classified in 6 main categories: lipids, peptides, amino-sugars, carbohydrates, nucleotides and phytochemical compounds (oxy-aromatic compounds). Our multidimensional stoichiometric compound classification (MSCC) constraints showed a highly accurate categorization of elemental formulas to the main compound categories in biological samples with over 98% of accuracy representing a substantial improvement over any classification based on the classic van Krevelen diagram. This method represents a significant step forward in environmental research, especially ecological stoichiometry and eco-metabolomics studies, by providing a novel and robust tool to further our understanding the ecosystem structure and function through the chemical characterization of different biological samples.

Compound Classification, Ecological Stoichiometry,↗
DOE OSTI2017

Geodesic bulk diagrams on the Bruhat–Tits tree

Geodesic bulk diagrams were recently shown to be the geometric objects which compute global conformal blocks. We show that this duality continues to hold in p-adic AdS/CFT, where the bulk is replaced by the Bruhat-Tits tree, an infinite regular graph with no cycles, and the boundary is described by p-adic numbers, rather than reals. We apply the duality to evaluate the four-point function of scalar operators of generic dimensions using tree-level bulk diagrams. Relative to standard results from the literature, we find intriguing similarities as well as significant simplifications. Notably, all derivatives disappear in the conformal block decomposition of the four-point function. On the other hand, numerical coefficients in the four-point function as well as the structure constants take surprisingly universal forms, applicable to both the reals and the p-adics when expressed in terms of local zeta functions. Finally, we present a minimal bulk action with nearest neighbor interactions on the Bruhat-Tits tree, which reproduces the two-, three-, and four-point functions of a free boundary theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Grafana Plugin: Chord Diagram (esnet-chord-diagram) v1

The Esnet chord diagram is a plugin to the open source Grafana platform which lets users create chord diagrams based on data queried from configured data sources. Its designed as a general purpose chord visualization, which we often use internally to show quantitative relationships between network customers. The software itself uses the d3.js library to generate visuals and its primary value is making it easy to use these within Grafana. Graphing library Here: https://github.com/d3/d3-chord ISC License Grafana https://github.com/grafana/grafana AGPL3.0

Balas, Edward↗
DOE OSTI2020

Ternary Phase Diagram of Water/Bio-Oil/Organic Solvent for Bio-Oil Fractionation

Separating bio-oil by fractionation with different chemical composition is a critical step to refine these oils and obtain high value products. Cold-water precipitation of pyrolytic lignin from bio-oil is the most common approach used. However, the obtained aqueous phase from this method still contain phenols, is diluted and difficult to use. In this study, the use of liquid-liquid extraction with different solvents (1-butanol, ethyl acetate, 1-octanol, dichloromethane, toluene, and hexane) for the separation of targeted molecules (lignin oligomers, sugars, acetic acid) is explored. Ternary phase diagrams for the organic solvent/water/bio-oil are reported. The partition coefficient of compounds of interest (both light and heavy fraction) is reported for the liquid-liquid equilibrium zone. When using butanol as solvent, the highest separation factor of total phenols over total sugars was observed. Furthermore, our results provide information to design L-L separation units with the capacity to selectively recover targeted molecules from pyrolysis oils.

09 BIOMASS FUELS↗
DOE OSTI2025

A Closed Bay-Breeze Circulation and Its Lifecycle From TRACER With a New Orienteering Tape Recorder Diagram

A closed bay-breeze circulation (BBC) followed by a gulf-breeze front (GBF) was observed on 10 September 2022 during the Department of Energy's (DOE) Atmospheric Radiation Measurement (ARM) TRACER campaign. Using high-resolution X-band Scanning Cloud Radar (XSACR) and a newly developed orienteering tape recorder diagram, the study analyzed radar reflectivity and Doppler velocity to identify anomalies and track the evolution of these circulations. The BBC, a mesoscale system approximately 30-km long, 30-km wide, and 2-km deep, formed from enhanced horizontal convective rolls along the Galveston Bay coast, progressing northwestward under a 6 m s−1 onshore flow anomaly and reaching 1.5 km depth with return flow aloft. The inland penetration speed was 2 m s−1, driven by an observed 6-9 K land-water temperature contrast. The GBF, coupled to the BBC, intensified with additional southerly flow, penetrating further inland after the BBC collapsed. Passing over the TRACER field site, both fronts significantly impacted boundary layer thermodynamics, dynamics, and aerosol concentration. The BBC event exhibited four lifecycle stages-formation, development, maturation, and dissipation-driven by solar heating, wind field rotation, and interactions with convective eddies and the GBF. This study provides insights into the inland evolution of coastal breeze circulations and their interactions with environmental processes.

54 ENVIRONMENTAL SCIENCES↗