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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

CERES Monthly TOA and SRB Averages (SRBAVG) data in HDF-EOS Grid (CER_SRBAVG_Terra-FM1-MODIS_Edition2D)

The Monthly TOA/Surface Averages (SRBAVG) product contains a month of space and time averaged Clouds and the Earth's Radiant Energy System (CERES) data for a single scanner instrument. The SRBAVG is also produced for combinations of scanner instruments. The monthly average regional flux is estimated using diurnal models and the 1-degree regional fluxes at the hour of observation from the CERES SFC product. A second set of monthly average fluxes are estimated using concurrent diurnal information from geostationary satellites. These fluxes are given for both clear-sky and total-sky scenes and are spatially averaged from 1-degree regions to 1-degree zonal averages and a global average. For each region, the SRBAVG also contains hourly average fluxes for the month and an overall monthly average. The cloud properties from SFC are column averaged and are included on the SRBAVG. [Location=GLOBAL] [Temporal_Coverage: Start_Date=1998-02-01; Stop_Date=2004-05-31] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=1 degree; Longitude_Resolution=1 degree; Horizontal_Resolution_Range=100 km - < 250 km or approximately 1 degree - < 2.5 degrees; Temporal_Resolution=1 month; Temporal_Resolution_Range=Monthly - < Annual].

EOSDIS↗
DOE OSTI2021

Evidence of a liquid–liquid transition in a glass-forming ionic liquid

A liquid–liquid transition (LLT) is a transformation from one liquid to another through a first-order transition. The LLT is fundamental to the understanding of the liquid state and has been reported in a few materials such as silicon, phosphorus, triphenyl phosphite, and water. Furthermore, it has been suggested that the unique properties of materials such as water, which is critical for life on the planet, are linked to the existence of the LLT. However, the experimental evidence for the existence of an LLT in many molecular liquids remains controversial, due to the prevalence and high propensity of the materials to crystallize. In this work, we show evidence of an LLT in a glass-forming trihexyltetradecylphosphonium borohydride ionic liquid that shows no tendency to crystallize under normal laboratory conditions. We observe a step-like increase in the static dielectric permittivity at the transition. Furthermore, the sizes of nonpolar local domains and ion-coordination numbers deduced from wide-angle X-ray scattering also change abruptly at the LLT. We independently corroborate these changes in local organization using Raman spectroscopy. The experimental access to the evolution of local order and structural dynamics across a liquid–liquid transition opens up unprecedented possibilities to understand the nature of the liquid state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Implications of liquid-liquid distribution coefficients to mineral-liquid partitioning

In order to evaluate the influence of a silicate liquid structure on mineral-liquid partitioning, element partitioning data is obtained for coexisting anhydrous immiscible granitic and ferrobasaltic magmas. It is found that: (1) mineral-liquid distribution coefficients indicate the competition of crystal and liquid for cation incorporation, (2) increased polymerization of the residual liquid during crystal-liquid fractionation increases the mineral-liquid distribution coefficients for high-charge-density cations, (3) incompatible element ratios of low- and high-charge-density cations may vary during crystal-liquid fractionation because of changes in the melt composition and structure, (4) relative solubilities of REE's in melts do not vary with melt polymerization, (5) the changes of Sm/Eu ratios during crystal-liquid fractionation depend on the melt composition, and (6) minor components and volatiles can significantly influence the silicate melt structure and the mineral-liquid distribution coefficients.

Ryerson, F. J.↗
NASA NTRS2003

A Liquid-Liquid Transition in an Undercooled Ti-Zr-Ni Liquid

If crystallization can be avoided, liquids enter a metastable (undercooled) state below their equilibrium liquidus temperatures, TI, finally freezing into a glass below a characteristic temperature called the glass transition temperature, T,. In rare cases, the undercooled liquid may undergo a liquid-liquid phase transition (liquid polymorphism) before entering the glassy state. This has been suggested from experimental studies of HzO and Si4. Such phase transitions have been predicted in some stable liquids, i.e. above TI at atmospheric pressure, for Si02 and BeF;, but these have not been verified experimentally. They have been observed in liquids of P7, Sis and C9, but only under high pressure. All of these transitions are driven by an anomalous density change, i.e. change in local structure, with temperature or pressure. In this letter we present the first experimental evidence for a phase transition in a low viscosity liquid that is not driven by an anomalous density change, but by an approach to a constant configuration state. A maximum in the specific heat at constant pressure, similar to what is normally observed near T,, is reported here for undercooled low viscosity liquids of quasicrystal- forming Ti-Zr-Ni alloys. that includes cooperativity, by incorporating a temperature dependent excitation energy fits the data well, signaling a phase transition.

Lee, G. W.↗
NASA NTRS1993

Microphysical properties of the November 26 cirrus cloud retrieved by Doppler radar/IR radiometer technique

Gaining information about cirrus cloud microphysics requires development of remote sensing techniques. In an earlier paper. Matrosov et al. (1992) proposed a method to estimate ice water path (IWP) (i.e., vertically integrated ice mass content IMC) and characteristic particle size averaged through the cloud from combined groundbased measurements of radar reflectivities and IR brightness temperatures of the downwelling thermal radiation in the transparency region of 10-12 mu m. For some applications, the vertically averaged characteristic particle sizes and IWP could be the appropriate information to use. However, vertical profiles of cloud microphysical parameters can provide a better understanding of cloud structure and development. Here we describe a further development of the previous method by Matrosov et al. (1992) for retrieving vertical profiles of cirrus particle sizes and IMC rather than their vertically averaged values. In addition to measurements of radar reflectivities, the measurements of Doppler velocities are used in the new method. This provides us with two vertical profiles of measurements to infer two vertical profiles of unknowns, i.e., particle characteristic sizes and IMC. Simultaneous measurements of the IR brightness temperatures are still needed to resolve an ambiguity in particle size-fall velocity relationships.

Matrosov, Sergey Y.↗
DOE OSTI2023

X-ray imaging of liquid-liquid Mg cavitation

The coupling of dynamic loading platforms with synchrotron light sources have enabled experiments examining void formation in optically opaque materials. Much like spallation in a solid, cavitation occurs when rarefaction waves collide within a liquid. The resulting deformation leads to a complex flow field with numerous voids. It has been suggested that compaction of such a structure may be a significant source of ejecta (i.e. shallow bubble collapse). Experiments imaging supported and unsupported shocks interacting with a free surface in shock melted Mg with synchrotron radiation are presented. Here, the results are used to examine the structure of a cavitation plane that forms in the unsupported case and provide an estimate of the porosity within this region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

From molecular to macroscopic: predicting liquid–liquid phase equilibria and small-angle scattering of mixtures of organic liquids from atomistic simulation using Kirkwood–Buff theory

Macroscopic phase equilibria between solutions define the functionality of many biological and industrial processes, yet they are challenging to predict due to the inherent complexity of liquids containing large molecules. This work introduces an approach for the purely predictive calculation of such phase equilibria in temperature-composition space from molecular dynamics (MD) simulations at one temperature in the single-phase region. We use an approach developed previously to obtain the entropic and enthalpic contributions to the free energy of mixing from the atomic-scale information given by MD simulations via Kirkwood–Buff theory. This allows us to accurately estimate the free energy of mixing as a function of temperature, and thus obtain liquid–liquid phase equilibria, including liquid–liquid critical points, associated binodal and spinodal lines, and composition fluctuations across a region of temperature and composition. Results for binary malonamide–alkane systems are validated by comparison to a direct experimental probe of the fluctuations: the small angle X-ray scattering intensity near zero wavenumber. The MDKB → Phase method demonstrated here provides a significant improvement in predicting liquid–liquid equilibria and free energy as a function of temperature for our systems of interest compared to conventional thermodynamic models. The accurate performance of this purely predictive approach lies in its preservation of atomistic details when determining thermodynamic properties. Furthermore, its inherent extensibility to multi-component systems will likely make the MDKB → Phase approach a valuable general tool for connecting molecular interactions to macroscopic phase equilibria and for the computational screening of materials for targeted thermodynamic behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Critical Heat Flux of Liquid Hydrogen, Liquid Methane, and Liquid Oxygen: A Review of Available Data and Predictive Tools

Available experimental data dealing with critical heat flux (CHF) of liquid hydrogen (LH 2 ), liquid methane (LCH 4 ), and liquid oxygen (LO 2 ) in pool and flow boiling are compiled. The compiled data are compared with widely used correlations. Experimental pool boiling CHF data for the aforementioned cryogens are scarce. Based on only 25 data points found in five independent sources, the correlation of Sun and Lienhard (1970) is recommended for predicting the pool CHF of LH 2 . Only two experiments with useful CHF data for the pool boiling of LCH 4 could be found. Four different correlations including the correlation of Lurie and Noyes (1964) can predict the pool boiling CHF of LCH 4 within a factor of two for more than 70% of the data. Furthermore, based on the 19 data points taken from only two available sources, the correlation of Sun and Lienhard (1970) is recommended for the prediction of pool CHF of LO 2 . Flow boiling CHF data for LH 2 could be found in seven experimental studies, five of them from the same source. Based on the 91 data points, it is suggested that the correlation of Katto and Ohno (1984) be used to predict the flow CHF of LH 2 . No useful data could be found for flow boiling CHF of LCH 4 or LO 2 . The available databases for flow boiling of LCH 4 and LO 2 are generally deficient in all boiling regimes. This deficiency is particularly serious with respect to flow boiling.

Multi-Phase Flow↗
NASA NTRS2023

Critical Heat Flux of Liquid Hydrogen, Liquid Methane, and Liquid Oxygen: A Review of Available Data and Predictive Tools

Available experimental data dealing with critical heat flux (CHF) of liquid hydrogen (LH2), liquid methane (LCH4), and liquid oxygen (LO2) in pool and flow boiling are compiled. The compiled data are compared with widely used correlations. Experimental pool boiling CHF data for the aforementioned cryogens are scarce. Based on only 25 data points found in five independent sources, the correlation of Sun and Lienhard (1970) is recommended for predicting the pool CHF of LH2. Only two experiments with useful CHF data for the pool boiling of LCH4 could be found. Four different correlations including the correlation of Lurie and Noyes (1964) can predict the pool boiling CHF of LCH4 within a factor of two for more than 70% of the data. Furthermore, based on the 19 data points taken from only two available sources, the correlation of Sun and Lienhard (1970) is recommended for the prediction of pool CHF of LO2. Flow boiling CHF data for LH2 could be found in seven experimental studies, five of them from the same source. Based on the 91 data points, it is suggested that the correlation of Katto and Ohno (1984) be used to predict the flow CHF of LH2. No useful data could be found for flow boiling CHF of LCH4 or LO2. The available databases for flow boiling of LCH4 and LO2 are generally deficient in all boiling regimes. This deficiency is particularly serious with respect to flow boiling.

Multi-Phase Flow↗
DOE OSTI2023

Solvent effects on extractant conformational energetics in liquid–liquid extraction: a simulation study of molecular solvents and ionic liquids

Extractant design in liquid–liquid extraction (LLE) is a research frontier of metal ion separations that typically focuses on the direct extractant–metal interactions. However, a more detailed understanding of energetic drivers of separations beyond primary metal coordination is often lacking, including the role of solvent in the extractant phase. In this work, we propose a new mechanism for enhancing metal-complexant energetics with nanostructured solvents. Using molecular dynamics simulations with umbrella sampling, we find that the organic solvent can reshape the energetics of the extractant's intramolecular conformational landscape. Here, we calculate free energy profiles of different conformations of a representative bidentate extractant, n-octyl(phenyl)-N,N-diisobutyl carbamoyl methyl phosphinoxide (CMPO), in four different solvents: dodecane, tributyl phosphate (TBP), and dry and wet ionic liquid (IL) 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][Tf 2 N]). By promoting reorganization of the extractant molecule into its binding conformation, our findings reveal how particular solvents can ameliorate this unfavorable step of the metal separation process. In particular, the charge alternating nanodomains formed in ILs substantially reduce the free energy penalty associated with extractant reorganization. Importantly, using alchemical free energy calculations, we find that this stabilization persists even when we explicitly include the extracted cation. These findings provide insight into the energetic drivers of metal ion separations and potentially suggest a new approach to designing effective separations using a molecular-level understanding of solvent effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Photoresponsive Structured Liquids Enabled by Molecular Recognition at Liquid–Liquid Interfaces

Using host-guest molecular recognition at the oil-water interface, a new type of photoresponsive nanoparticle surfactant (NPS) was designed and prepared to structure liquids. With the help of a polymeric surfactant, the interfacial host-guest interactions can be significantly enhanced, leading to the rapid formation and assembly of a NP monolayer and offering sufficient binding energy to hold the NPs in a jammed state. The assembly of the NPSs can be reversibly manipulated via a photoswitchable jamming-to-unjamming transition, endowing the interface as well as the macroscopic assemblies with responsiveness to the external trigger (photons). Finally, this study for the first time opens a pathway for the construction of multiresponsive, structured all-liquid systems by introducing host-guest chemistry, showing promising potential applications in encapsulation, delivery systems, and unique microfluidic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Microfluidic liquid-liquid contactor

An assembly comprises a first liquid guide having an inlet, an outlet, and a liquid-conducting layer comprising a first material. The liquid-conducting layer extends between the inlet and the outlet. A second liquid guide has an inlet, an outlet, and a liquid-conducting layer comprising a second material. The liquid-conducting layer extends between the inlet and the outlet. At least a portion of the liquid-conducting layer of the second liquid guide overlaps the liquid-conducting layer of the first liquid guide such that, when a first liquid flows along the liquid-conducting layer of the first liquid guide and a second liquid flows along the liquid-conducting layer of the second liquid guide, the second liquid contacts the first liquid along the portion of the liquid-conducting layer of the second liquid guide that overlaps the liquid-conducting layer of the first liquid guide.

McCulloch, Quinn↗
DOE OSTI2020

In situ liquid SIMS analysis of uranium oxide

Trace analysis of nuclear materials in solid particles collected in the environment or particles in liquid slurry generated in nuclear material manufacturing processes can pinpoint elemental, organic, and isotopic signatures of nuclear fuel cycle activities and processes. Such information can support nuclear safeguards programs by increasing our ability to detect undeclared nuclear materials, routine activities for safeguarding at declared facilities, and illicit activities. However, trace radioactive material analysis in liquids and slurries is challenging using bulk approaches. For example, one drawback of sensitive analysis such as inductively coupled plasma mass spectrometry (ICP-MS) is that sample is consumed or destroyed as a result of the technical approach. We developed a vacuum compatible microfluidic interface to enable surface analysis of liquids and liquid-solid interactions using time-of-flight secondary ion mass spectrometry (ToF-SIMS). In this work, we illustrate initial results of liquid standards containing uranium using in situ liquid SIMS. Specifically a series of diluted uranium standards used for ICPMS analysis were studied and the limit of detection was estimated. Since the liquid SIMS analysis is almost nondestructive, the same sample can be analyzed by other more destructive approaches afterwards or saved for future references. Consequently, multimodal analysis is possible. Our results demonstrate that in situ liquid SIMS can be used as a new approach to analyze radioactive materials in liquid and slurry forms of relevance to the IAEA safeguards missions.

In situ liquid ToF-SIMS, uranium, limit of detecti↗