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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Perspective on the oil-dominated gas hydrate plugging conceptual picture as applied to transient Shut-In/Restart

Gas hydrate formation is rarely an issue during continuous production conditions. Unplanned and/or extended shut-downs comprise the majority of scenarios where overlapping concern and uncertainty for gas hydrate blockages exist. To date, most experimental studies and theoretical analysis of gas hydrate formation derive from the steady-state conceptual picture. Yet, significant distinctions induced by phase separation and prolonged cooling suggest an altered conceptual picture is required for transient shut-in/restart operations. To address this outstanding issue, this work presents a conceptual picture for the base case of a non-surface active hydrocarbon undergoing cold restart without enacted mitigation efforts. First, phase separation upon shut-in leads to the localization of gas hydrate ingredients due to fluids density differences and pipeline inclination. Cooling to the seafloor temperature, then, induces gas hydrate film formation at the hydrocarbon interface and maximizes subcooling, resulting in rapid and confined gas hydrate growth occurring upon restart. Furthermore, this ultimately leads to plugging dominated by the deposition of porous, low conversion gas hydrate masses. Direct visual observations and results from Raman spectroscopy, hydrate contact angle and film growth, micromechanical force apparatus, rocking cell, and flow loop studies support the mechanisms outlined within each step. Similar to the influence provided by the original Colorado School of Mines steady-state conceptual picture that was introduced about 15 years ago, this transient counterpart builds a foundation that could inspire new directions of hydrate research and analysis in areas where uncertainty abounds.

02 PETROLEUM↗
DOE OSTI2024

Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy

Developing new materials to be applied in extreme environments is an opportunity and a challenge for the future. High entropy alloys are new materials that seem promising approaches to work in nuclear fusion reactors. In this work, FeTaTiVW high entropy alloys were developed and characterized with Molecular Dynamic and Hybrid Molecular Dynamic Monte Carlo simulations. The simulation results show that phase separation originates a lower potential energy per atom and a high level of segregation compared to those of a uniform solid solution. Moreover, the experimental diffractogram of the milled powder shows the formation of a body-centred cubic-type structure and the presence of TiO2. In addition, the microstructure of the consolidated material evidenced three phases: W-rich, Ti-rich, and a phase with all the elements. This phase separation observed in the microstructure agrees with the Hybrid Molecular Dynamic Monte Carlo simulation. Moreover, the consolidated material’s thermal conductivity and specific heat are almost constant from 25 °C to 1000 °C, and linear expansion increases with increasing temperature. On the other hand, specific heat and thermal expansion values are in between CuCrZr and W values (materials chosen for the reactor walls). The FeTaTiVW high entropy alloy evidences a ductile behaviour at 1000 °C. Therefore, the promising thermal properties of this system can be attributed to the multiple phases and systems with different compositions of the same elements, which is exciting for future developments.

Martins, Ricardo (ORCID:0000000177685704)↗
NASA NTRS1994

Phase segregation due to simultaneous migration and coalescence

Ground-based modeling and experiments have been performed on the interaction and coalescence of drops leading to macroscopic phase separation. The focus has been on gravity-induced motion, with research also initiated on thermocapillary motion of drops. The drop size distribution initially shifts toward larger drops with time due to coalescence, and then a back towards smaller drops due to the larger preferentially settling out. As a consequence, the phase separation rate initially increases with time and then decreases.

Davis, Robert H.↗
NASA NTRS2006

Multiphase Flow Technology Impacts on Thermal Control Systems for Exploration

The Two-Phase Flow Facility (TPHIFFy) Project focused on bridging the critical knowledge gap by developing and demonstrating critical multiphase fluid products for advanced life support, thermal management and power conversion systems that are required to enable the Vision for Space Exploration. Safety and reliability of future systems will be enhanced by addressing critical microgravity fluid physics issues associated with flow boiling, condensation, phase separation, and system stability. The project included concept development, normal gravity testing, and reduced gravity aircraft flight campaigns, in preparation for the development of a space flight experiment implementation. Data will be utilized to develop predictive models that could be used for system design and operation. A single fluid, two-phase closed thermodynamic loop test bed was designed, assembled and tested. The major components in this test bed include: a boiler, a condenser, a phase separator and a circulating pump. The test loop was instrumented with flow meters, thermocouples, pressure transducers and both high speed and normal speed video cameras. A low boiling point surrogate fluid, FC-72, was selected based on scaling analyses using preliminary designs for operational systems. Preliminary results are presented which include flow regime transitions and some observations regarding system stability.

McQuillen, John↗
DOE OSTI2021

Critical Role of the Interfacial Layer in Associating Polymers with Microphase Separation

Polymers with dynamic (transient) bonds, often called associating polymers, have been attracting significant attention in recent years due to their unique viscoelastic properties, self-healing ability, and recyclability. Nevertheless, understanding the mechanisms and the factors controlling their macroscopic properties remains limited due to the higher complexity introduced by the dynamic bonds. Here in this study, small-angle X-ray scattering (SAXS), broadband dielectric spectroscopy (BDS), and rheology were applied to unravel the structure and dynamics of telechelic associating polymers with different molecular weights. SAXS measurements revealed phase separation of the functional end groups with an average cluster size of ~2–3 nm and the distance between clusters controlled by the chain length. Borrowing the interfacial layer model analysis of BDS data from the polymer nanocomposite field, we demonstrated the presence of an interfacial polymer layer with a thickness of ~0.7–0.9 nm surrounding these clusters. Rheological measurements showed quantitatively that the presence of the interfacial layer significantly alters the viscoelastic behavior of these materials, indicating the crucial role of the interfacial layer in defining the macroscopic mechanical properties of the studied telechelic materials. The presented results emphasize that phase separation of the functional groups in associating polymers leads to very significant changes of the viscoelastic properties, opening a promising avenue in the design of novel functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Channel size influence on the heat flux density at zero net mass flow in the non-linear transport regime between 1.2 and 2.1 K

Porous media and narrow ducts of simple shape at zero net mass flow (ZNMF) are used to investigate the influence of pore size on the entropy/heat convection rate at ZNMF. The study is relevant to the development of specific types of phase separators. Previous work on heat transport by convection is extended to porous media without mass loss. The experimental results show the influence of pore size on heat flux for permeabilities between 10 to the -8th and 10 to the -6th sq cm. ZNMF plug data are found to be similar to results obtained for vapor liquid phase separation.

Frederking, T. H. K.↗
NASA NTRS1993

Permeable membrane experiment

The purpose of the Permeable Membrane Experiment is to gather flight data on three areas of membrane performance that are influenced by the presence of gravity. These areas are: (1) Liquid/gas phase separation, (2) gas bubble interference with diffusion through porous membranes and (3) wetting characteristics of hydrophilic membrane surfaces. These data are important in understaning the behavior of membrane/liquid/gas interfaces where surface tension forces predominate. The data will be compared with 1-g data already obtained and with predicted micrograviity behavior. The data will be used to develop designs for phase separation and plant nutrient delivery systems and will be available to the life support community for use in developing technologies which employ membranes. A conceptual design has been developed to conduct three membrane experiments, in sequence, aboard a single Complex Autonomous Payload (CAP) carrier to be carried in the Shuttle Orbiter payload bay. One experiment is conducted for each of the three membrane performance areas under study. These experiments are discussed in this paper.

Slavin, Thomas J.↗
DOE OSTI2024

Method of tuning physical properties of thermosets

Polymerization-induced phase separation enables fine control over thermoset network morphologies, yielding heterogeneous structures with domain sizes tunable over 1-100 nm. However, the controlled chain-growth polymerization techniques exclusively employed to regulate morphology at these length scales are unsuitable for most thermoset materials typically formed through step-growth mechanisms. By employing binary mixtures in place of the classic constituents of phase-separating thermosets—resin, curing agent, and secondary polymer—facile tunability over morphology can be achieved through a single compositional parameter. Indeed, this method yields morphologies spanning nano-scale to macro-scale, controlled by the relative reactivities and thermodynamic compatibility of the network components. Due to the connection between chain dynamics and microstructure in these materials, the tunable morphology enables exquisite control over glass transition and other physical and mechanical properties.

Jones, Brad Howard↗
NASA NTRS2022

Artificial Neural Network Modeling for Airline Disruption Management

Since the 1970s, most airlines have incorporated computerized support for managing disruptions during flight schedule execution. However, existing platforms for airline disruption management (ADM) employ monolithic system design methods that rely on the creation of specific rules and requirements through explicit optimization routines, before a system that meets the specifications is designed. Thus, current platforms for ADM are unable to readily accommodate additional system complexities resulting from the introduction of new capabilities, such as the introduction of unmanned aerial systems (UAS), operations and infrastructure, to the system. To this end, we use historical data on airline scheduling and operations recovery to develop a system of artificial neural networks (ANNs), which describe a predictive transfer function model (PTFM) for promptly estimating the recovery impact of disruption resolutions at separate phases of flight schedule execution during ADM. Furthermore, we provide a modular approach for assessing and executing the PTFM by employing a parallel ensemble method to develop generative routines that amalgamate the system of ANNs. Our modular approach ensures that current industry standards for tardiness in flight schedule execution during ADM are satisfied, while accurately estimating appropriate time-based performance metrics for the separate phases of flight schedule execution.

Kolawole Ogunsina↗
DOE OSTI2021

Cylindrical Confinement of Nanocolloidal Cholesteric Liquid Crystal

The organization of nanocolloidal liquid crystals in constrained geometries has fundamental and practical importance, since under confinement, liquid crystals contain stable topological defects that can serve as templates for nanoparticle organization. Three-dimensional confinement of cholesteric (Ch) liquid crystals formed by cellulose nanocrystals (CNCs) have been extensively studied; however, their two-dimensional confinement remains underinvestigated. In this work, we report the results of systematic experimental studies of two-dimensional confinement of Ch–CNC liquid crystal in cylindrical capillaries with varying inner diameters. Confinement resulted in phase separation of the Ch–CNC liquid crystal into a Ch shell formed by concentric CNC pseudolayers with the helicoidal axis perpendicular to the inner surface of the capillary walls, and a micrometer-diameter isotropic core thread running parallel to the long axis of the capillary. The morphology of the confined Ch–CNC liquid crystal varied when progressively increasing the degree confinement. Finally, we show that phase separation of the Ch–CNC liquid crystal into a Ch shell and an isotropic core is preserved in flexible capillary tubing, suggesting the applicability of this system for the fabrication of flexible optical waveguides.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Formation, chemical evolution and solidification of the dense liquid phase of calcium (bi)carbonate

Metal carbonates, which are ubiquitous in the near-surface mineral record, are a major product of biomineralizing organisms and serve as important targets for capturing anthropogenic CO 2 emissions. However, pathways of carbonate mineralization typically diverge from classical predictions due to the involvement of disordered precursors, such as the dense liquid phase (DLP), yet little is known about DLP formation or solidification processes. Using in situ methods we report that a highly hydrated bicarbonate DLP forms via liquid–liquid phase separation and transforms into hollow hydrated amorphous CaCO 3 particles. Acidic proteins and polymers extend DLP lifetimes while leaving the pathway and chemistry unchanged. Molecular simulations suggest that the DLP forms via direct condensation of solvated Ca 2+ •(HCO 3 – ) 2 complexes that react due to proximity effects in the confined DLP droplets. Furthermore, our findings provide insight into CaCO 3 nucleation that is mediated by liquid–liquid phase separation, advancing the ability to direct carbonate mineralization and elucidating an often-proposed complex pathway of biomineralization.

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

Achieving Balanced Crystallization Kinetics of Donor and Acceptor by Sequential-Blade Coated Double Bulk Heterojunction Organic Solar Cells

Sequential deposition has great potential to achieve high performance in organic solar cells due to the resulting well-controlled vertical phase separation. In this work, double bulk heterojunction organic solar cells are fabricated by sequential-blade cast in ambient conditions. Probed by the in situ grazing incidence X-ray diffraction and in situ UV–vis absorption measurements, the seq-blade system exhibits a different tendency from each of the binary films during the film formation process. Due to the extensive aggregation of FOIC, the binary PBDB-T:FOIC film displays a strong and large phase separation, resulting in low current density (J sc) and unsatisfactory power conversion efficiency. In the seq-blade cast system, the bottom layer PBDB-T:IT-M produces many crystal nuclei for the top layer PBDB-T:FOIC, so the PBDB-T molecules are able to crystallize easily and quickly. Balanced crystallization kinetics between polymer and small molecule and an ideal percolation network in the film are observed. In addition, the balanced crystallization kinetics are favorable toward realizing lower recombination loss through charge transport processes.

14 SOLAR ENERGY↗
DOE OSTI2022

Arrested-motility states in populations of shape-anisotropic active Janus particles

The emergence of large-scale collective phenomena from simple interactions between individual units is a hallmark of active matter systems. Active colloids with alignment-dominated interparticle interactions tend to develop orientational order and form motile coherent states, such as flocks and swarms. Alternatively, a combination of self-propulsion and excluded-volume interactions results in self-trapping and active phase separation into dense clusters. Here, we reveal unconventional arrested-motility states in ensembles of active discoidal particles powered by induced-charge electrophoresis. Combining experiments and computational modeling, we demonstrate that the shape asymmetry of the particles promotes the hydrodynamically assisted formation of active particles’ bound states in a certain range of excitation parameters, ultimately leading to a spontaneous collective state with arrested motility. Unlike the jammed clusters obtained through self-trapping, the arrested-motility phase remains sparse, dynamic, and reconfigurable. The demonstrated mechanism of phase separation seeded by bound state formation in ensembles of oblate active particles is generic and should be applicable to other active colloidal systems.

42 ENGINEERING↗
DOE OSTI2021

Understanding nanoscale structural distortions in Pb(Zr 0.2 Ti 0.8 )O 3 by utilizing X-ray nanodiffraction and clustering algorithm analysis

Hard X-ray nanodiffraction provides a unique nondestructive technique to quantify local strain and structural inhomogeneities at nanometer length scales. However, sample mosaicity and phase separation can result in a complex diffraction pattern that can make it challenging to quantify nanoscale structural distortions. In this work, a k-means clustering algorithm was utilized to identify local maxima of intensity by partitioning diffraction data in a three-dimensional feature space of detector coordinates and intensity. This technique has been applied to X-ray nanodiffraction measurements of a patterned ferroelectric PbZr 0.2 Ti 0.8 O 3 sample. The analysis reveals the presence of two phases in the sample with different lattice parameters. A highly heterogeneous distribution of lattice parameters with a variation of 0.02 Å was also observed within one ferroelectric domain. This approach provides a nanoscale survey of subtle structural distortions as well as phase separation in ferroelectric domains in a patterned sample.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Colossal piezoresistance in narrow-gap Eu 5 In 2 Sb 6

Piezoresistance, the change of the electrical resistance (R) of a material in response to an applied mechanical stress (σ), is the driving principle of electromechanical devices such as strain gauges, accelerometers, and cantilever force sensors. Enhanced piezoresistance has been traditionally observed in two classes of uncorrelated materials: nonmagnetic semiconductors and composite structures. In this study, we report the discovery of a remarkably large piezoresistance in Eu 5 In 2 Sb 6 single crystals, wherein anisotropic metallic clusters naturally form within a semiconducting matrix due to electronic interactions. Eu 5 In 2 Sb 6 shows a highly anisotropic piezoresistance, and uniaxial pressure along [001] of only 0.4 GPa leads to a resistivity drop of >99.95%, which results in a colossal piezoresistance factor of 5000×10 –11 Pa –1 . Our result not only reveals the role of interactions and phase separation in the realization of colossal piezoresistance, but it also highlights a route to multifunctional devices with large responses to both pressure and magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Synthesis and composition control of epitaxial FeWO4 thin films using pulsed laser deposition

We report the growth of epitaxial FeWO4 thin films on c-plane sapphire via pulsed laser deposition using a Fe 2 O 3 /WO 3 target ablated in an O 2 atmosphere. At a constant O 2 pressure of 1 mTorr, x-ray diffraction (XRD) confirms FeWO 4 as the major crystalline phase for substrate temperatures from 500 to 800 °C. As temperature increases, x-ray fluorescence (XRF) shows the Fe/W ratio remains nearly constant at 0.90 ± 0.02, while x-ray photoelectron spectroscopy (XPS) shows Fe 3+ to Fe 2+ conversion increases from 20% to 35%. Morphological analysis reveals phase separation, likely of amorphous Fe 3+ oxide from crystalline FeWO 4 , increasing with Fe 3+ conversion. This is attributed to an O-rich laser ablated flux, where conversion is driven by the Arrhenius temperature dependence of Fe 3+ → Fe 2+ reduction on the film surface. At a constant substrate temperature of 750 °C, XRD confirms FeWO 4 formation for O 2 pressures from 0.5 to 10 mTorr. As pressure increases, XRF shows the Fe/W ratio decreases from 0.98 to 0.70, while XPS shows Fe 3+ conversion rises from 15% to 70%. Morphology shows phase separation decreasing with increasing Fe 3+ conversion. This is attributed to scattering, where higher O 2 pressure makes the laser ablated flux O-deficient relative to Fe and W, facilitating Fe 2+ formation. Films with Fe 3+ conversion above ∼30% and Fe/W ratios from 0.86 to 0.96 exhibit FeWO 4 optical and electronic properties suitable for photoanode applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Atom Probe Tomography Investigation of Clustering in Model P 2 O 5 -Doped Borosilicate Glasses for Nuclear Waste Vitrification

Atom probe tomography (APT) has been utilized to investigate the microstructure of two model borosilicate glasses designed to understand the solubility limits of phosphorous pentoxide (P 2 O 5 ). This component is found in certain high-level radioactive defence wastes destined for vitrification, where phase separation can potentially lead to a number of issues relating to the processing of the glass and its long-term chemical and structural stability. The development of suitable focused ion beam (FIB)-preparation routes and APT analysis conditions were initially determined for the model glasses, before examining their detailed microstructures. In a 3.0 mol% P 2 O 5 -doped glass, both visual inspection and sensitive statistical analysis of the APT data show homogeneous microstructures, while raising the content to 4.0 mol% initiates the formation of phosphorus-enriched nanoscale precipitates. This study confirms the expected inhomogeneities and phase separation of these glasses and offers routes to characterizing these at near-atomic scale resolution using APT.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Hierarchical morphologies in co-sputter deposited thin films

Co-depositions of immiscible alloy films at specific processing conditions have yielded hierarchical microstructures which consist of distinct features at multiple length scales, often agglomerates and concentration modulations on the sub-micrometer-scale and fine nanoprecipitates in a matrix on the nanoscale. The present work examined a series of immiscible alloy systems: Cu-Mo, Cu-Ag, Cu-Fe, Cu-Ta, Mo-Ag, Cu-Mo-Ag, to determine the kinetic conditions favorable for hierarchical organization and the formation mechanism of such structures. Thin films of six immiscible systems were sputter co-deposited over a range of deposition rates from 0.12 to 2 nm/s and various temperatures from 400 to 800°C. The resulting microstructures indicate that hierarchical structures form with sufficient disparity in kinetic energy between the constituent atoms, one species being highly mobile (A) and the other relatively immobile (B). This condition arises typically at elevated deposition temperatures and reduced deposition rates but is also alloy dependent. The hierarchical structures form during deposition via phase separation and self-organization processes across the multiple length scales. The adatoms diffuse on the film surface with the highly mobile species swiftly agglomerating into A-rich domains within which B-rich nanoprecipitates form, often self-organizing into periodic arrays. The smallest B-rich nanoprecipitates in the A-rich domains are found to be coherent and in a metastable crystal structure (B taking the structure of A), but coarser precipitates that exhibit the equilibrium structure of B element. The A-rich domains are surrounded by a B-rich matrix that phase-separates into a concentration modulated structure. In conclusion, the observations are interpreted via a model incorporating material properties and process parameters.

36 MATERIALS SCIENCE↗