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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Simulating environmentally-sensitive tree recruitment in vegetation demographic models

Vegetation demographic models (VDMs) endeavor to predict how global forests will respond to climate change. This requires simulating which trees, if any, are able to recruit under changing environmental conditions. We present a new recruitment scheme for VDMs in which functional-type-specific recruitment rates are sensitive to light, soil moisture and the productivity of reproductive trees. We evaluate the scheme by predicting tree recruitment for four tropical tree functional types under varying meteorology and canopy structure at Barro Colorado Island, Panama. We compare predictions to those of a current VDM, quantitative observations and ecological expectations. We find that the scheme improves the magnitude and rank order of recruitment rates among functional types and captures recruitment limitations in response to variable understory light, soil moisture and precipitation regimes. Furthermore, our results indicate that adopting this framework will improve VDM capacity to predict functional-type-specific tree recruitment in response to climate change, thereby improving predictions of future forest distribution, composition and function.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1996

Designing Ni- and Co-Base Superalloys To Resist Oxidation

Analysis of experimental cyclic-oxidation data yields quantitative design criterion. Equation characterizing abilities of superalloys to resist oxidation at high temperatures proves useful for designing new alloy compositions to resist oxidation. Rates tendency to become oxidized in terms of single attack parameter, K(a), as function of composition and temperature: decrease in K(a) signifies increase in resistance to oxidation.

Barrett, Charles A.↗
DOE OSTI2023

Magnetic phase diagram mapping in Fe 1- x Rh x composition-spread thin films

We have fabricated high-quality polycrystalline Fe 1- x Rh x composition-spread thin films by cosputtering Fe and Rh, and investigated their structural and magnetic transformations as a systematic function of composition. With increasing Rh concentration, Fe 1-x Rh x thin film undergoes from an α' phase to a disordered γ phase and also shows a magnetic transition from a ferromagnetic phase to a paramagnetic phase. Vibrating-sample magnetometry and x-ray magnetic circular dichroism measurements show an antiferromagnetic-ferromagnetic transition in the range of 0.52 < x < 0.58 in the Fe 1- x Rh x composition gradient at room temperature. Based on our structural and magnetic property mapping, we construct a thin-film phase diagram of Fe 1- x Rh x . Compared to reported results in bulk alloys, the antiferromagnetic-ferromagnetic transition in the Fe 1- x Rh x thin films was found to occur at slightly higher Rh concentrations, while the boundary between the pure γ phase and the α'/ γ mixed phase region is shifted to the lower concentration Rh.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Thermal analysis of a functionally graded material subject to a thermal gradient using the boundary element method

The boundary element method is utilized in this study to conduct thermal analysis of functionally graded composites, materials in which the internal microstructure or properties are explicitly tailored in order to obtain an optimal response, on the micromechanical (constituent) scale. A unique feature of the boundary element formulations used here is the use of circular shape functions to convert the two-dimensional integrations of the composite fibers to one dimensional integrations. Using the computer code BEST-CMS, the through the thickness temperature profiles are computed for a representative material with varying numbers of fibers and fiber spacing in the thickness direction. The computed temperature profiles are compared to those obtained using an alternate analytical theory which explicitly couples the heterogeneous microstructure to the global analysis. The boundary element results compared favorably to the analytical calculations, with discrepancies that are explainable based on the boundary element formulation. The results serve both to demonstrate the ability of the boundary element method to analyze these types of materials, and to verify the accuracy of the analytical theory.

Goldberg, Robert K.↗
DOE OSTI2022

Thermophysical modeling of raw glaze liquidus temperature and viscosity

Raw glazes, which do not contain pre-melted glass frits, are widely used due to their low cost. The natural variability of the mineral compositions used in raw glazes affects their viscosity during firing. Molten glaze viscosity plays an important role in determining the final surface quality; therefore, it is important to determine how raw glaze composition and firing conditions affect viscosity. Thermophysical modeling provides a way to evaluate the liquidus temperature and viscosity of molten glazes as a function of composition and oxygen activity. Equilibrium phase volume fraction and composition of 242 raw glaze recipes were evaluated under oxidizing and reducing conditions. Undissolved or precipitation of solid phases explain the secondary flux transition from anti-fluxing to fluxing near the liquidus temperature. The liquidus temperature and viscosity of iron glazes decrease as a function of increasing iron content under a reducing atmosphere. The empirical probability distribution of molten glaze viscosity follows a lognormal distribution, with lead glazes having significantly lower viscosity compared with glazes without lead. Here, the peak firing temperature viscosity of lead-free glazes is near the working point of glass. Multiple linear regression analysis shows that the peak firing temperature viscosity and liquidus temperature significantly predict the viscosity factor.

36 MATERIALS SCIENCE↗
NASA NTRS1978

The phase-integral method for radiative transfer problems with highly-peaked phase functions

Complete solutions to the radiative transfer equation, including both azimuth and depth dependence, are provided by the discrete-ordinate method of Chandrasekhar, but these solutions are often limited because of large computer requirements. This paper presents a 'phase-integral' method which greatly reduces the number of discrete ordinates needed in the solution for highly peaked phase functions. A composite quadrature method is shown to be effective in further reducing the number of discrete ordinates required for highly anisotropic phase functions. Examples are given to indicate convergence requirements and expected accuracy in the complete solution for Henyey-Greenstein and cloud-type phase functions.

Fricke, C. L.↗
DOE OSTI2024

Machine-learning-assisted deciphering of microstructural effects on ionic transport in composite materials: A case study of Li 7 La 3 Zr 2 O 12 -LiCoO 2

The effective diffusivity of ionic species in multiphase materials is critical for the design and function of composite materials for electrochemical energy storage. In practice, effective diffusivity depends sensitively not only on the intrinsic diffusivities of constituting materials but also on their topological arrangement; nevertheless, these coupled contributions are oversimplified in most analytical models. Here, we combine atomistically informed mesoscale modeling and machine learning (ML) analysis to unravel how such features affect effective diffusivity in two-phase composites. Using the Li 7 La 3 Zr 2 O 12 -LiCoO 2 composite solid-state battery cathode as a model system, we compute effective diffusivity for 600 distinct dense polycrystalline microstructures with different topological configurations of grains, grain boundaries, and heterointerfaces. We verify that in addition to atomic-scale variabilities, microstructural feature diversity can significantly impact effective transport properties. Across the ensemble of test microstructures, this often results in bimodal distributions of effective diffusivity that encompass two qualitatively distinct operating mechanisms, which we identify via flux analysis. An ML approach reveals that the most critical determining factors for effective diffusivity are the connectivity of bulk phases and their heterointerfaces. The role of ionic mobility at the heterointerfaces is also discussed. These insights highlight the combined importance of microstructure and interface engineering in tuning the transport properties of ionic species in composite materials. In conclusion, our framework can also be extended for understanding generic microstructure-property relationships in other complex multiphase materials.

25 ENERGY STORAGE↗
NASA NTRS2004

In-Plane Shear Testing of Medium and High Modulus Woven Graphite Fiber Reinforced/Polyimide Composites

Iosipescu shear tests were performed at room temperature and at 316 C (600 F) o woven composites with either M40J or M60J graphite fibers and PMR-II-50 polyimide resin matrix. The composites were tested as supplied and after thermo-cycling, with the thermo-cycled composites being tested under dry and wet conditions. Acoustic emission (AE) was monitored during the room and high temperature Iosipescu experiments. The shear stresses at the maximum loads and the shear stresses at the significant onset of AE were determined for the composites as function of temperature and conditioning. The combined effects of thermo-cycling and moisture on the strength and stiffness properties of the composites were evaluated. It was determined that the room and high temperature shear stresses at the maximum loads were unaffected by conditioning. However, at room temperature the significant onset of AE was affected by conditioning; the thermal conditioned wet specimens showed the highest shear stress at the onset of AE followed by thermal-conditioned and then as received specimens. Also, at igh temperature the significant onset of AE occurred in some specimens after the maximum load due to the viscoelastoplastic nature of the matrix material.

Gentz, M.↗
DOE OSTI2021

Combinatorial screening of crystal structure in Ba-Sr-Mn-Ce perovskite oxides with ABO 3 stoichiometry

ABO 3 oxides with the perovskite-related structures are attracting significant interest due to their promising physical and chemical properties for many applications requiring tunable chemistry, including fuel cells, catalysis, and electrochemical water splitting. Here we report on the crystal structure of the entire family of perovskite oxides with ABO 3 stoichiometry, where A and B are Ba, Sr, Mn, Ce. Given the vast size of this chemically complex material system, exploration for stable perovskite-related structures with respect to its constituent elements and annealing temperature is performed by combinatorial pulsed laser deposition and spatially-resolved characterization of composition and structure. As a result of this high-throughput experimental study, we identify hexagonal perovskite-related polytypic transformation as a function of composition in the Ba 1-x Sr x MnO 3 oxides after annealing at different temperatures. Furthermore, a hexagonal perovskite-related polytype is observed in a narrow composition-temperature range of the Ba 1-x Sr x MnO 3 oxides. In contrast, a tetragonally-distorted perovskite is observed across a wider range of compositions and annealing temperatures in the Sr 1-x Ce x MnO 3 oxides. This structure stability is further enhanced along the Ba 1-x Sr x MnO 3 - Sr 1-x Ce x MnO 3 pseudo-binary tie-line at x=0.25 by increasing Ba-incorporation and annealing temperature. These results indicate that the BaCe x Mn 1-x O 3 - Sr 1-x Ce x MnO 3 pseudo-binary oxide alloys (solid solutions) with tetragonal perovskite structure and broad composition-temperature range of stability are promising candidates for thermochemical water splitting applications.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Thermoelastic response of metal matrix composites with large-diameter fibers subjected to thermal gradients

A new micromechanical theory is presented for the response of heterogeneous metal matrix composites subjected to thermal gradients. In contrast to existing micromechanical theories that utilize classical homogenization schemes in the course of calculating microscopic and macroscopic field quantities, in the present approach the actual microstructural details are explicitly coupled with the macrostructure of the composite. Examples are offered that illustrate limitations of the classical homogenization approach in predicting the response of thin-walled metal matrix composites with large-diameter fibers when subjected to thermal gradients. These examples include composites with a finite number of fibers in the thickness direction that may be uniformly or nonuniformly spaced, thus admitting so-called functionally gradient composites. The results illustrate that the classical approach of decoupling micromechanical and macromechanical analyses in the presence of a finite number of large-diameter fibers, finite dimensions of the composite, and temperature gradient may produce excessively conservative estimates for macroscopic field quantities, while both underestimating and overestimating the local fluctuations of the microscopic quantities in different regions of the composite. Also demonstrated is the usefulness of the present approach in generating favorable stress distributions in the presence of thermal gradients by appropriately tailoring the internal microstructure details of the composite.

Aboudi, Jacob↗
DOE OSTI2024

Structure–Function Insights into Thermoresponsive Copolymers as Lanthanide Precipitants

The synthetic toolbox for stimuli-responsive polymers has broadened to include many tunable variables, making these materials applicable in diverse technologies. However, unraveling the key composition–structure–function relationships to facilitate ground-up design remains a challenge due to the inherent dispersity in sequence and conformations for synthetic polymers. We here present a systematic study of these relationships using a model system of copolymers with a thermoresponsive (N-isopropylacrylamide) backbone in addition to metal-chelating (acrylic acid) and hydrophobic structural comonomers and evaluate their efficiency at isolating technologically critical lanthanide ions. The efficiency of lanthanide ion extraction by precipitation was quantitated with a metallochromic dye to reveal trends relating copolymer hydrophobicity to improved separations. Further, we examined the role of different hydrophobic comonomers in dictating the solution-phase conformation of the polymer in the presence and absence of lanthanide ions, and we correlated key features of the hydrophobic comonomer to extraction efficiency. Lastly, we identified how the local proximity of thermoresponsive, chelating, and hydrophobic subunits facilitates metal extraction by manipulating the copolymer sequence with multiblock polymerization. Through mechanistic analysis, we propose a binding-then-assembly process through which metal ions are coprecipitated with macromolecular chelators.

Copolymers↗
NASA NTRS2003

Simulation of Prebiotic Processing by Comet and Meteoroid Impact: Implications for Life on Early Earth and Other Planets

We develop a reacting flow model to simulate the shock induced chemistry of comets and meteoroids entering planetary atmospheres. Various atmospheric compositions comprising of simpler molecules (i.e., CH4, CO2, H2O, etc.) are investigated to determine the production efficiency of more complex prebiotic molecules as a function of composition, pressure, and entry velocity. The possible role of comets and meteoroids in creating the inventory of prebiotic material necessary for life on Early Earth is considered. Comets and meteoroids can also introduce new materials from the Interstellar Medium (ISM) to planetary atmospheres. The ablation of water from comets, introducing the element oxygen into Titan's atmosphere will also be considered and its implications for the formation of organic and prebiotic material.

Dateo, Christopher E.↗
NASA NTRS2016

Properties of Multifunctional Hybrid Carbon Nanotube/Carbon Fiber Polymer Matrix Composites

For aircraft primary structures, carbon fiber reinforced polymer (CFRP) composites possess many advantages over conventional aluminum alloys due to their light weight, higher strength- and stiffness-to-weight ratios, and low life-cycle maintenance costs. However, the relatively low electrical and thermal conductivities of CFRP composites fail to provide structural safety in certain operational conditions such as lightning strikes. Carbon nanotubes (CNT) offer the potential to enhance the multi-functionality of composites with improved thermal and electrical conductivity. In this study, hybrid CNT/carbon fiber (CF) polymer composites were fabricated by interleaving layers of CNT sheets with Hexcel® IM7/8852 prepreg. Resin concentrations from 1 wt% to 50 wt% were used to infuse the CNT sheets prior to composite fabrication. The interlaminar properties of the resulting hybrid composites were characterized by mode I and II fracture toughness testing. Fractographical analysis was performed to study the effect of resin concentration. In addition, multi-directional physical properties like thermal conductivity of the orthotropic hybrid polymer composite were evaluated.

Cano, Roberto J.↗
NASA NTRS2016

Aerogel Hybrid Composite Materials: Designs and Testing for Multifunctional Applications

This webinar will introduce the broad spectrum of aerogel composites and their diverse performance properties such as reduced heat transfer to energy storage, and expands specifically on the aerogel/fiber laminate systems and testing methodologies. The multi-functional laminate composite system, AeroFiber, and its construction is designed by varying the type of fiber (e.g. polyester, carbon, Kevlar®, Spectra® or Innegral(TradeMark) and combinations thereof), the aerogel panel type and thickness, and overall layup configuration. The combination and design of materials may be customized and tailored to achieve a range of desired properties in the resulting laminate system. Multi-functional properties include structural strength, impact resistance, reduction in heat transfer, increased fire resistance, mechanical energy absorption, and acoustic energy dampening. Applications include aerospace, aircraft, automotive, boating, building and construction, lightweight portable structures, liquefied natural gas, cryogenics, transportation and energy, sporting equipment, and military protective gear industries.

Hybrid↗
NASA NTRS1981

Solutal convection induced macrosegregation and the dendrite to composite transition in off-eutectic alloys

The effect of solute gradient induced convection during vertical solidification on the macrosegregation of Pb-rich Pb-Sn off-eutectic alloys is determined experimentally as a function of composition and growth rate. In many cases macrosegregation is sufficient to prevent the plane front solidification of the alloy. The transition from dendritic to composite structure is found to occur when the composition of the solid is close enough to the eutectic composition to satisfy a stability criterion based on the ratio of the liquid temperature gradient to growth rate. A vertical or horizontal magnetic field of 0.1 T (1 kilogauss) does not reduce macrosegregation, but downward solidification (liquid below solid) virtually eliminates macrosegregation in small (3 mm) diameter samples.

Boettinger, W. J.↗
DOE OSTI2023

A previously uncharacterized divisome-associated lipoprotein, DalA, is needed for normal cell division in Rhodobacterales

ABSTRACT The bacterial cell envelope is a key subcellular compartment with important roles in antibiotic resistance, nutrient acquisition, and cell morphology. We seek to gain a better understanding of proteins that contribute to the function of the cell envelope in Alphaproteobacteria . Using Rhodobacter sphaeroides , we show that a previously uncharacterized protein, RSP_1200, is an outer membrane (OM) lipoprotein that non-covalently binds peptidoglycan (PG). Using a fluorescently tagged version of this protein, we find that RSP_1200 undergoes a dynamic repositioning during the cell cycle and is enriched at the septum during cell division. We show that the position of RSP_1200 mirrors the location of FtsZ rings, leading us to propose that RSP_1200 is a newly identified component of the R. sphaeroides ’ divisome. Additional support for this hypothesis includes the co-precipitation of RSP_1200 with FtsZ, the Pal protein, and several predicted PG L,D-transpeptidases. We also find that a ∆ RSP_1200 mutation leads to defects in cell division, sensitivity to PG-active antibiotics, and results in the formation of OM protrusions at the septum during cell division. Based on these results, we propose to name RSP_1200 DalA (for division-associated lipoprotein A) and postulate that DalA serves as a scaffold to position or modulate the activity of PG transpeptidases that are needed to form envelope invaginations during cell division. We find that DalA homologs are present in members of the Rhodobacterales order within Alphaproteobacteria . Therefore, we propose that further analysis of this and related proteins will increase our understanding of the macromolecular machinery and proteins that participate in cell division in Gram-negative bacteria. IMPORTANCE Multi-protein complexes of the bacterial cell envelope orchestrate key processes like growth, division, biofilm formation, antimicrobial resistance, and production of valuable compounds. The subunits of these protein complexes are well studied in some bacteria, and differences in their composition and function are linked to variations in cell envelope composition, shape, and proliferation. However, some envelope protein complex subunits have no known homologs across the bacterial phylogeny. We find that Rhodobacter sphaeroides RSP_1200 is a newly identified lipoprotein (DalA) and that loss of this protein causes defects in cell division and changes the sensitivity to compounds, affecting cell envelope synthesis and function. We find that DalA forms a complex with proteins needed for cell division, binds the cell envelope polymer peptidoglycan, and colocalizes with enzymes involved in the assembly of this macromolecule. The analysis of DalA provides new information on the cell division machinery in this and possibly other Alphaproteobacteria.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1976

Prediction of crosslink density of solid propellant binders

A quantitative theory is outlined which allows calculation of crosslink density of solid propellant binders from a small number of predetermined parameters such as the binder composition, the functionality distributions of the ingredients, and the extent of the curing reaction. The parameter which is partly dependent on process conditions is the extent of reaction. The proposed theoretical model is verified by independent measurement of effective chain concentration and sol and gel fractions in simple compositions prepared from model compounds. The model is shown to correlate tensile data with composition in the case of urethane-cured polyether and certain solid propellants. A formula for the branching coefficient is provided according to which if one knows the functionality distributions of the ingredients and the corresponding equivalent weights and can measure or predict the extent of reaction, he can calculate the branching coefficient of such a system for any desired composition.

Marsh, H. E., Jr.↗