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DOE OSTI2021

Cell Wall Compositions of Sorghum bicolor Leaves and Roots Remain Relatively Constant Under Drought Conditions

Renewable fuels are needed to replace fossil fuels in the immediate future. Lignocellulosic bioenergy crops provide a renewable alternative that sequesters atmospheric carbon. To prevent displacement of food crops, it would be advantageous to grow biofuel crops on marginal lands. These lands will likely face more frequent and extreme drought conditions than conventional agricultural land, so it is crucial to see how proposed bioenergy crops fare under these conditions and how that may affect lignocellulosic biomass composition and saccharification properties. We found that while drought impacts the plant cell wall of Sorghum bicolor differently according to tissue and timing of drought induction, drought-induced cell wall compositional modifications are relatively minor and produce no negative effect on biomass conversion. This contrasts with the cell wall-related transcriptome, which had a varied range of highly variable genes (HVGs) within four cell wall-related GO categories, depending on the tissues surveyed and time of drought induction. Further, many HVGs had expression changes in which putative impacts were not seen in the physical cell wall or which were in opposition to their putative impacts. Interestingly, most pre-flowering drought-induced cell wall changes occurred in the leaf, with matrix and lignin compositional changes that did not persist after recovery from drought. Most measurable physical post-flowering cell wall changes occurred in the root, affecting mainly polysaccharide composition and cross-linking. This study couples transcriptomics to cell wall chemical analyses of a C4 grass experiencing progressive and differing drought stresses in the field. As such, we can analyze the cell wall-specific response to agriculturally relevant drought stresses on the transcriptomic level and see whether those changes translate to compositional or biomass conversion differences. Our results bolster the conclusion that drought stress does not substantially affect the cell wall composition of specific aerial and subterranean biomass nor impede enzymatic hydrolysis of leaf biomass, a positive result for biorefinery processes. Coupled with previously reported results on the root microbiome and rhizosphere and whole transcriptome analyses of this study, we can formulate and test hypotheses on individual gene candidates’ function in mediating drought stress in the grass cell wall, as demonstrated in sorghum.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Active Learning for Rapid Targeted Synthesis of Compositionally Complex Alloys

The next generation of advanced materials is tending toward increasingly complex compositions. Synthesizing precise composition is time-consuming and becomes exponentially demanding with increasing compositional complexity. An experienced human operator does significantly better than a novice but still struggles to consistently achieve precision when synthesis parameters are coupled. The time to optimize synthesis becomes a barrier to exploring scientifically and technologically exciting compositionally complex materials. This investigation demonstrates an active learning (AL) approach for optimizing physical vapor deposition synthesis of thin-film alloys with up to five principal elements. We compared AL-based on Gaussian process (GP) and random forest (RF) models. The best performing models were able to discover synthesis parameters for a target quinary alloy in 14 iterations. We also demonstrate the capability of these models to be used in transfer learning tasks. RF and GP models trained on lower dimensional systems (i.e., ternary, quarternary) show an immediate improvement in prediction accuracy compared to models trained only on quinary samples. Furthermore, samples that only share a few elements in common with the target composition can be used for model pre-training. We believe that such AL approaches can be widely adapted to significantly accelerate the exploration of compositionally complex materials.

Chemistry↗

DOE OSTI2016

THE COMPOSITE SPECTRUM OF BOSS QUASARS SELECTED FOR STUDIES OF THE Ly α FOREST

The Baryon Oscillation Spectroscopic Survey (BOSS) has collected more than 150,000 2.1 ≤ z ≤ 3.5 quasar spectra since 2009. Using this unprecedented sample, we create a composite spectrum in the rest-frame of 102,150 quasar spectra from 800–3300 Å at a signal-to-noise ratio close to 1000 per pixel (Δ v of 69 km s{sup −1}). Included in this analysis is a correction to account for flux calibration residuals in the BOSS spectrophotometry. We determine the spectral index as a function of redshift of the full sample, warp the composite spectrum to match the median spectral index, and compare the resulting spectrum to Sloan Digital Sky Survey (SDSS) photometry used in target selection. The quasar composite matches the color of the quasar population to 0.02 mag in g − r , 0.03 mag in r − i , and 0.01 mag in i − z over the redshift range 2.2 < z < 2.6. The composite spectrum deviates from the imaging photometry by 0.05 mag around z = 2.7, likely due to differences in target selection as the quasar colors become similar to the stellar locus at this redshift. Finally, we characterize the line features in the high signal-to-noise composite and identify nine faint lines not found in the previous composite spectrum from SDSS.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

LOCAL SIMULATIONS OF INSTABILITIES DRIVEN BY COMPOSITION GRADIENTS IN THE ICM

The distribution of helium in the intracluster medium (ICM) permeating galaxy clusters is not well constrained due to the very high plasma temperature. Therefore, the plasma is often assumed to be homogeneous. A nonuniform helium distribution can, however, lead to biases when measuring key cluster parameters. This has motivated one-dimensional models that evolve the ICM composition assuming that the effects of magnetic fields can be parameterized or ignored. Such models for nonisothermal clusters show that helium can sediment in the cluster core, leading to a peak in concentration offset from the cluster center. The resulting profiles have recently been shown to be linearly unstable when the weakly collisional character of the magnetized plasma is considered. In this paper, we present a modified version of the MHD code Athena, which makes it possible to evolve a weakly collisional plasma subject to a gravitational field and stratified in both temperature and composition. We thoroughly test our implementation and confirm excellent agreement against several analytical results. In order to isolate the effects of composition, in this initial study we focus our attention on isothermal plasmas. We show that plasma instabilities, feeding off gradients in composition, can induce turbulent mixing and saturate by rearranging magnetic field lines and alleviating the composition gradient. Composition profiles that increase with radius lead to instabilities that saturate by driving the average magnetic field inclination to roughly 45°. We speculate that this effect may alleviate the core insulation observed in homogeneous settings, with potential consequences for the associated cooling flow problem.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

INFLUENCE OF STELLAR FLARES ON THE CHEMICAL COMPOSITION OF EXOPLANETS AND SPECTRA

More than three thousand exoplanets have been detected so far, and more and more spectroscopic observations of exoplanets are performed. Future instruments ( James Webb Space Telescope ( JWST ), E-ELT, PLATO, Ariel, etc.,) are eagerly awaited, as they will be able to provide spectroscopic data with greater accuracy and sensitivity than what is currently available. This will allow more accurate conclusions to be drawn regarding the chemistry and dynamics of exoplanetary atmospheres, provided that the observational data are carefully processed. One important aspect to consider is temporal stellar atmospheric disturbances that can influence the planetary composition, and hence spectra, and potentially can lead to incorrect assumptions about the steady-state atmospheric composition of the planet. In this paper, we focus on perturbations coming from the host star in the form of flare events that significantly increase photon flux impingement on the exoplanets atmosphere. In some cases, particularly for M stars, this sudden increase may last for several hours. We aim to discover to what extent a stellar flare is able to modify the chemical composition of the planetary atmosphere and, therefore, influence the resulting spectra. We use a one-dimensional thermo-photochemical model to study the neutral atmospheric composition of two hypothetical planets located around the star AD Leo. We place the two planets at different distances from the star, which results in effective atmospheric temperatures of 412 and 1303 K. AD Leo is an active star that has already been observed during a flare. Therefore, we use the spectroscopic data from this flare event to simulate the evolution of the chemical composition of the atmospheres of the two hypothetical planets. We compute synthetic spectra to evaluate the implications for observations. The increase in the incoming photon flux affects the chemical abundances of some important species (such as H and NH{sub 3}), down to altitudes associated with an atmospheric pressure of 1 bar, which can lead to variations in planetary spectra (up to 150 ppm) if performed during transit. We find that each exoplanet has a post-flare steady-state composition that is significantly different from the pre-flare steady-state. We predict that these variations could be detectable with both current and future spectroscopic instruments, if sufficiently high signal-to-noise spectra are obtained.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Study of the Internal Compositions of Binary Alloy Pd-Rh Nanoparticles by Using Bragg Coherent Diffraction Imaging

Bragg coherent diffraction imaging (BCDI), a well-established technique for imaging the internal strain of nanoparticles, was used to image the internal compositional distribution of binary alloys in thermal equilibrium. The images experimentally obtained for Pd-Rh alloy nanoparticles are presented and discussed. A direct correspondence between the lattice strain and the compositional deviation is discussed with the derivation of the BCDI displacement field aided by illustrations. The correspondence suggests that the longitudinal derivative of the displacement field, the strain induced by compositional heterogeneity, can be quantitatively converted to 3D images of the compositional deviation from the particle average by using Vegard’s law. It also suggests that the transverse derivative can be qualitatively associated with the disorder of Bragg planes. The studied Pd-Rh alloy nanoparticle exhibited internal composition heterogeneity; the Rh composition tends to be high at edges and corners between facets and gradually decreases from the surface to the core of the particle.

36 MATERIALS SCIENCE↗

NASA NTRS1972

Computerized multilevel analysis for multilayered fiber composites

A FORTRAN 4 computer code for the micromechanics, macromechanics, and laminate analysis of multilayered fiber composite structural components is described. The code can be used either individually or as a subroutine within a complex structural analysis/synthesis program. The inputs to the code are constituent materials properties, composite geometry, and loading conditions. The outputs are various properties for ply and composite; composite structural response, including bending-stretching coupling; and composite stress analysis, including comparisons with failure criteria for combined stress. The code was used successfully in the analysis and structural synthesis of flat panels, in the buckling analysis of flat panels, in multilayered composite material failure studies, and lamination residual stresses analysis.

Chamis, C. C.↗

NASA NTRS1972

Computerized multilevel analysis for multilayered fiber composites.

A FORTRAN IV computer code for the micromechanics, macromechanics, and laminate analysis of multilayered fiber composite structural components is described. The code can be used either individually or as a subroutine within a complex structural analysis/synthesis program. The inputs to the code are constituent materials properties, composite geometry, and loading conditions. The outputs are various properties for ply and composite; composite structural response, including bending-stretching coupling; and composite stress analysis, including comparisons with failure criteria for combined stress. The code was used successfully in the analysis and structural synthesis of flat panels, in the buckling analysis of flat panels, in multilayered composite material failure studies, and lamination residual stresses analysis.

Chamis, C. C.↗

NASA NTRS1973

Material and structural studies of metal and polymer matrix composites

Fiber-reinforced composites and design analysis methods for these materials are being developed because of the vast potential of composites for decreasing weight and/or increasing use temperature capability in aerospace systems. These composites have potential for use in airbreathing engine components as well as aeronautical and space vehicle structures. Refractory wire-superalloy composites for use up to 2200 F or more and metal-matrix composites for lower temperature applications such as aerospace structures and turbojet fan and compressor blades are under investigation and are discussed. The development of a number of resin systems, including the polyimides and polyphenylquinoxalines, is described and their potential for use at temperatures approaching 315 C (600 F) is indicated. Various molecular modifications that improve processability and/or increase thermal and oxidative resistance of the resins are also described. Structural analysis methods are discussed for determining the stresses and deformations in complex composite systems. Consideration is also given to residual stresses resulting from the curing process and to the foreign object damage problem in fan blade applications.

Signorelli, R. A.↗

NASA NTRS1972

Crystallization behavior and glass formation of selected lunar compositions.

The kinetics of crystal growth have been determined over a wide range of temperature, from 800 to 1219 C, for lunar compositions 14259 and 14310. At all temperatures for both compositions the extent of crystal growth is found to be a linear function of time. For both materials, the growth rate versus temperature relations exhibit the form generally found with glass-forming materials. At all temperatures measured, the crystal growth rate of composition 14259 is smaller than that of composition 14310. The maximum growth rate for both compositions occurs at a temperature of about 1120 C. The growth rate data are combined with viscosity data obtained on the same compositions to construct the reduced growth rate versus undercooling relations.

Scherer, G.↗

NASA NTRS1973

Criteria for selecting resin matrices for improved composite strength.

Criteria are presented which can be used a priori to select matrices to yield composites with improved unidirectional strength. The criteria evolved from an investigation including both theoretical and experimental efforts. Composite micromechanics were used in conjunction with suitable experiments and reference data to identify those matrix properties which influence composite strength properties. Composites of graphite fibers and low, intermediate and high-modulus resins were investigated. It was found that the area under the matrix stress/strain diagram limited to one percent strain is a good index for an a priori assessment of the matrix contribution to composite strength. The corresponding initial modulus is a useful parameter in translating matrix properties to composite properties.

Chamis, C. C.↗

NASA NTRS1974

Effect of rolling on the high temperature tensile and stress-rupture properties of tungsten fiber-superalloy composites

An investigation was conducted to determine the effects of mechanical working on the 1093 C (2000 F) tensile and stress-rupture strength of tungsten alloy/superalloy composites. Hot pressed composites containing either conventional tungsten lamp filament wire or tungsten-1% ThO2 wire and a nickel base alloy matrix were hot rolled at 1093 C (2000 F). The hot pressed and rolled composite specimens were then tested in tension and stress-rupture at 1093 C (2000 F). Rolling decreased the degree of fiber-matrix reaction as a function of time of exposure at 1093 C (2000 F). The stress-rupture properties of the rolled composites were superior to hot pressed composites containing equivalent diameter fibers. Rolling did not appreciably affect the 1093 C (2000 F) ultimate tensile strength of the composites.

Petrasek, D. W.↗

NASA NTRS1974

Intumescent composition, foamed product prepared therewith and process for making same

An intumescent composition and the foamed product prepared by heating the composition are provided. The composition comprises the reaction product of para-benzoquinone dioxime and a concentrated mineral acid such as sulfuric acid, phosphoric acid, and polyphosphoric acid. The composition is useful as an intumescent agent either by itself or when combined with other materials. A fire-resistant and heat-insulating composition is provided by heating the intumescent composition above its intumescent temperature.

Riccitiello, S. R.↗

NASA NTRS1973

Viscous flow and crystallization behavior of selected lunar compositions

The flow characteristics of lunar compositions 15555 and 68502 have been determined over a wide range of viscosity. The temperature ranges covered by the measurements are 1201-1410 and 622-695 C for the 15555 composition and 1261-1515 and 725-840 C for 68502 composition. Reliable data could not be obtained over the intermediate ranges of temperature because of the occurrence of crystallization. The experimental data in the high temperature regions are found to be in close agreement with predictions of the semiempirical model of Bottinga and Weill. The results on these compositions are compared with previous data on other lunar compositions and on anorthite; and the importance of the flow behavior in interpreting lunar flows and phase morphologies is emphasized. Data are also reported on the kinetics of crystallization of the 15555 composition over the temperature interval from 700 to 1020 C.

Cukierman, M.↗

NASA NTRS1974

Effect of rolling on the high temperature tensile and stress-rupture properties of tungsten fiber-superalloy composites

An investigation was conducted to determine the effects of mechanical working on the 1093 C tensile and stress-rupture strength of tungsten alloy/superalloy composites. Hot pressed composites containing either conventional tungsten lamp filament wire or tungsten-1% ThO2 wire and a nickel base alloy matrix were hot rolled at 1093 C. The hot pressed and rolled composite specimens were then tested in tension and stress-rupture at 1093 C. Rolling decreased the degree of fiber-matrix reaction as a function of time of exposure at 1093 C. The stress-rupture properties of the rolled composites were superior to hot pressed composites containing equivalent diameter fibers. Rolling did not appreciably affect the 1093 C ultimate tensile strength of the composites.

Petrasek, D. W.↗

NASA NTRS1974

Impact resistance of composite fan blades

Results are presented of a program to determine the impact resistance of composite fan blades subjected to foreign object damage (FOD) while operating under conditions simulating a short take-off and landing (STOL) engine at takeoff. The full-scale TF39 first-stage fan blade was chosen as the base design for the demonstration component since its configuration and operating tip speeds are similar to a typical STOL fan blade several composite configurations had already been designed and evaluated under previous programs. The first portion of the program was devoted toward fabricating and testing high impact resistant, aerodynamically acceptable composite blades which utilized only a single material system in any given blade. In order to increase the blade impact capability beyond this point, several mixed material (hybrid) designs were investigated using S-glass and Kevlar as well as boron and graphite fibers. These hybrid composite blades showed a marked improvement in resistance to bird impact over those blades made of a single composite material. The work conducted under this program has demonstrated substantial improvement in composite fan blades with respect to FOD resistance and has indicated that the hybrid design concept, which utilizes different types of fibers in various portions of a fan blade design depending on the particular requirements of the different areas and the characteristics of the different fibers involved, shows a significant improvement over those designs utilizing only one material system.

Source record↗

NASA NTRS1974

Study of the costs and benefits of composite materials in advanced turbofan engines

Composite component designs were developed for a number of applicable engine parts and functions. The cost and weight of each detail component was determined and its effect on the total engine cost to the aircraft manufacturer was ascertained. The economic benefits of engine or nacelle composite or eutectic turbine alloy substitutions was then calculated. Two time periods of engine certification were considered for this investigation, namely 1979 and 1985. Two methods of applying composites to these engines were employed. The first method just considered replacing an existing metal part with a composite part with no other change to the engine. The other method involved major engine redesign so that more efficient composite designs could be employed. Utilization of polymeric composites wherever payoffs were available indicated that a total improvement in Direct Operating Cost (DOC) of 2.82 to 4.64 percent, depending on the engine considered, could be attained. In addition, the percent fuel saving ranged from 1.91 to 3.53 percent. The advantages of using advanced materials in the turbine are more difficult to quantify but could go as high as an improvement in DOC of 2.33 percent and a fuel savings of 2.62 percent. Typically, based on a fleet of one hundred aircraft, a percent savings in DOC represents a savings of four million dollars per year and a percent of fuel savings equals 23,000 cu m (7,000,000 gallons) per year.

Steinhagen, C. A.↗

NASA NTRS1975

Fracture and fatigue of discontinuously reinforced copper/tungsten composites

The strength, toughness and resistance to cyclic crack propagation of composites consisting of copper reinforced with short tungsten wires of various lengths have been studied and the results compared with the behavior of continuously reinforced composites manufactured by the same method, i.e., by vacuum hot-pressing. It has been found that whereas the resistance to fatigue crack growth of continuously reinforced composites is very similar to that of continuous Al/stainless steel composites reported elsewhere, the addition of short fibers completely changes the mode of fracture, and no direct comparisons are possible. In effect, short fibers inhibit single crack growth by causing plastic flow to be distributed rather than localized, and although these composites are much less strong than continuous fiber composites, they nevertheless have much greater fatigue resistance.

Harris, B.↗