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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
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)↗
DOE OSTI2016

Multiferroics properties in BiFeO{sub 3}/CoFe{sub 2}O{sub 4} heterostructures thin films deposited on (111) SrTiO{sub 3}

The multiferroic properties of BiFeO{sub 3}-CoFe{sub 2}O{sub 4} (BFO-CFO) heterostructures thin film grown on (111) SrTiO{sub 3} (STO) substrates by employing pulsed laser deposition (PLD) method, have been studied.X ray diffraction analysis reveals the presence of BFO and CFO in two separate phases. The heterostructures BFO/CFO/STO(111) thin films show well – shaped hysteresis loop with saturated magnetization and coercive field, which are much larger than pure BFO/STO thin film. The frequency dependent dielectric anomalies in BFO-CFO multilayer are attributed to the interfacial effect across the presence of CFO as a separate phase embedded in BFO matrix.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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↗
DOE OSTI2014

Atomic Scale Studies of La/Sr Ordering in Colossal Magnetoresistant La 2-2x Sr 1+2x Mn 2 O 7 Single Crystals

To date, it is unclear whether chemical order (or disorder) is in any way connected to double exchange, electronic phase separation, or charge ordering (CO) in manganites. In this work, we carry out an atomic resolution study of the colossal magnetoresistant manganite La 2-2x Sr 1+2x Mn 2 O 7 (LSMO). We combine aberration-corrected electron microscopy and spectroscopy with spectroscopic image simulations, to analyze cation ordering at the atomic scale in real space in a number of LSMO single crystals. We compare three different compositions within the phase diagram: a ferromagnetic metallic material (x=0.36), an insulating, antiferromagnetic charge ordered (AF-CO) compound (x=0.5), which also exhibits orbital ordering, and an additional AF sample (x=0.56). Detailed image simulations are essential to accurately quantify the degree of chemical ordering of these samples. We find a significant degree of long-range chemical ordering in all cases, which increases in the AF-CO range. However, the degree of ordering is never complete nor can it explain the strongly correlated underlying ordering phenomena. Our results show that chemical ordering over distinct crystallographic sites is not needed for electronic ordering phenomena to appear in manganites, and cannot by itself explain the complex electronic behavior of LSMO.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Investigation of new approaches for InGaN growth with high indium content for CPV application

We propose to use two new approaches that may overcome the issues of phase separation and high dislocation density in InGaN-based PIN solar cells. The first approach consists in the growth of a thick multi-layered InGaN/GaN absorber. The periodical insertion of the thin GaN interlayers should absorb the In excess and relieve compressive strain. The InGaN layers need to be thin enough to remain fully strained and without phase separation. The second approach consists in the growth of InGaN nano-structures for the achievement of high In content thick InGaN layers. It allows the elimination of the preexisting dislocations in the underlying template. It also allows strain relaxation of InGaN layers without any dislocations, leading to higher In incorporation and reduced piezo-electric effect. The two approaches lead to structural, morphological, and luminescence properties that are significantly improved when compared to those of thick InGaN layers. Corresponding full PIN structures have been realized by growing a p-type GaN layer on the top the half PIN structures. External quantum efficiency, electro-luminescence, and photo-current characterizations have been carried out on the different structures and reveal an enhancement of the performances of the InGaN PIN PV cells when the thick InGaN layer is replaced by either InGaN/GaN multi-layered or InGaN nanorod layer.

14 SOLAR ENERGY↗
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↗
DOE OSTI2017

Understanding the Impact of Oligomeric Polystyrene Side Chain Arrangement on the All‐Polymer Solar Cell Performance

Abstract The introduction of oligomeric polystyrene (PS) side chains into the conjugated backbone is proven to enhance the processability and electronic properties of semiconducting polymers. Here, two series of donor and acceptor polymers are prepared with different molar percentages of PS side chains to elucidate the effect of their substitution arrangement on the all‐polymer solar cell performance. The observed device performance is lower when the PS side chains are substituted on the donor polymer and higher when on the acceptor polymer, indicating a clear arrangement effect of the PS side chain. The incorporation of PS side chains to the acceptor polymer contributes to the decrease in phase separation domain size in the blend films. However, the reduced domain size was still an order of magnitude larger than the typical exciton diffusion length. A detailed morphological study together with the estimation of solubility parameter of the pristine PS, donor, and acceptor polymers reveals that the relative value of solubility parameter of each component dominantly contributes to the purity of the phase separated domain, which strongly impacts the amount of generated photocurrent and overall solar cell performance. This study provides an understanding of the design strategies to improve the all‐polymer solar cells.

Kurosawa, Tadanori↗
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 OSTI2014

Hetero-junction photovoltaic device and method of fabricating the device

A hetero-junction device and fabrication method in which phase-separated n-type and p-type semiconductor pillars define vertically-oriented p-n junctions extending above a substrate. Semiconductor materials are selected for the p-type and n-type pillars that are thermodynamically stable and substantially insoluble in one another. An epitaxial deposition process is employed to form the pillars on a nucleation layer and the mutual insolubility drives phase separation of the materials. During the epitaxial deposition process, the orientation is such that the nucleation layer initiates propagation of vertical columns resulting in a substantially ordered, three-dimensional structure throughout the deposited material. An oxidation state of at least a portion of one of the p-type or the n-type semiconductor materials is altered relative to the other, such that the band-gap energy of the semiconductor materials differ with respect to stoichiometric compositions and the device preferentially absorbs particular selected bands of radiation.

42 ENGINEERING↗
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 OSTI2015

Bivalent metal-based MIL-53 analogues: Synthesis, properties and application

Trivalent metal-based MIL-53 (Al{sup 3+}, Cr{sup 3+}, Fe{sup 3+}, In{sup 3+}) compounds are interesting metal–organic frameworks (MOFs) with breathing effect and are promising gas sorption materials. Replacing bridging μ{sub 2}-OH group by neutral ligands such as pyridine N-oxide and its derivatives (PNOs), the trivalent metal-based MIL-53 analogous structures could be extended to bivalent metal systems. The introduction of PNOs and bivalent metal elements endows the frameworks with new structural features and physical and chemical properties. This minireview summarizes the recent development of bivalent metal-based MIL-53 analogues (Mn{sup 2+}, Co{sup 2+}, Ni{sup 2+}), typically, focusing on the synthetic strategies and potential applications based on our own works and literatures. We present the synthetic strategy to achieve structures evolution from single-ligand-walled to double-ligand-walled channel. Properties and application of these new materials in a wide range of potential areas are discussed including thermal stability, gas adsorption, magnetism and liquid-phase separation. Promising directions of this research field are also highlighted. - Graphical abstract: The recent development of bivalent metal-based MIL-53 analogues (Mn{sup 2+}, Co{sup 2+}, Ni{sup 2+}) on their synthetic strategies, properties and potential applications was reviewed. - Highlights: • Structure features of bivalent metal-based MIL-53 analogues are illustrated. • Important properties and application are presented. • Host–guest interactions are main impetus for liquid-phase separation. • Promising directions of bivalent metal-based MIL-53 analogues are highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Phase stability in the two-dimensional anisotropic boson Hubbard Hamiltonian

The two dimensional square lattice hard-core boson Hubbard model with near neighbor interactions has a ‘checkerboard’ charge density wave insulating phase at half-filling and sufficiently large intersite repulsion. When doped, rather than forming a supersolid phase in which long range charge density wave correlations coexist with a condensation of superfluid defects, the system instead phase separates. However, it is known that there are other lattice geometries and interaction patterns for which such coexistence takes place. In this paper we explore the possibility that anisotropic hopping or anisotropic near neighbor repulsion might similarly stabilize the square lattice supersolid. Lastly, by considering the charge density wave structure factor and superfluid density for different ratios of interaction strength and hybridization in the ˆx and ˆy directions, we conclude that phase separation still occurs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗