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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Anisotropic Motions of Fibrils Dictated by Their Orientations in the Lamella: A Coarse-Grained Model of a Plant Cell Wall

Plant cell walls are complex systems that exhibit the characteristics of both rigid and soft material depending on their external perturbations. The three main polymeric components in a plant primary cell wall are cellulose fibrils, hemicellulose, and pectins. These components interact in a hierarchical fashion giving rise to mesoscale structural features such as cellulose bundles, lamella stacking, and so on. Although several studies have focused on understanding these unique structural features, a clear picture linking them to cell wall mechanics is still lacking. As a first step toward this goal, a phenomenological model of plant cell wall has been developed in this work by using available experimental data to investigate the underlying connections between mesoscale structural features and the motions of fibrils during deformation. In this model cellulose fibrils exhibit motions such as angular reorientations and kinking upon forced stretching. Furthermore, these motions are dependent on the orientation of fibrils with respect to the stretch direction, i.e., fibrils that are at an angle to the stretch direction exhibit predominant angular reorientations, while fibrils transverse to the stretch direction undergo kinking as a result of transverse compression. Varying the chain length of pectin had negligible effects on these motions. One of the main contributions from this work is the development of a simple model that can be easily fine-tuned to test other hypotheses and extended to include additional experimental knowledge about the structural aspects of cell walls in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2022

All-perovskite tandem solar cells with improved grain surface passivation

All-perovskite tandem solar cells hold the promise of surpassing the efficiency limits of single-junction solar cells; however, until now, the best-performing all-perovskite tandem solar cells have exhibited lower certified efficiency than have single-junction perovskite solar cells. A thick mixed Pb–Sn narrow-bandgap subcell is needed to achieve high photocurrent density in tandem solar cells, yet this is challenging owing to the short carrier diffusion length within Pb–Sn perovskites. Here we develop ammonium-cation-passivated Pb–Sn perovskites with long diffusion lengths, enabling subcells that have an absorber thickness of approximately 1.2 μm. Molecular dynamics simulations indicate that widely used phenethylammonium cations are only partially adsorbed on the surface defective sites at perovskite crystallization temperatures. The passivator adsorption is predicted to be enhanced using 4-trifluoromethyl-phenylammonium (CF3-PA), which exhibits a stronger perovskite surface-passivator interaction than does phenethylammonium. By adding a small amount of CF3-PA into the precursor solution, we increase the carrier diffusion length within Pb–Sn perovskites twofold, to over 5 μm, and increase the efficiency of Pb–Sn perovskite solar cells to over 22%. Here, we report a certified efficiency of 26.4% in all-perovskite tandem solar cells, which exceeds that of the best-performing single-junction perovskite solar cells. Encapsulated tandem devices retain more than 90% of their initial performance after 600 h of operation at the maximum power point under 1 Sun illumination in ambient conditions.

14 SOLAR ENERGY↗
NASA NTRS1991

Instellar grains within interstellar grains

The discovery of crystals of titanium carbide in an interstellar graphite spherule is reported. The new species is particularly interesting in that it came in a protective wrapping (the graphite spherule) which eliminated the possibility of chemical alteration during its residence in the interstellar medium and in the meteorite in which it was discovered.

Bernatowicz, Thomas J.↗
NASA NTRS2004

Critical Climate-Sensitive and Important Grain-Producing Regions: Grain Production/Yield Variations Due to Climate Fluctuations

Ideally, the Crop Country Inventory, CCI, is a methodology for the pre-harvest prediction of large variations in a country s crop production. This is accomplished by monitoring the historical climatic fluctuations, especially during the crop calendar period, in a climate sensitive large crop production region or sub-country, rather than the entire country. The argument can be made that the climatic fluctuations in the climatic sensitive region are responsible for the major annual crop country variations and that the remainder of the country, without major climatic fluctuations for a given year, can be assumed to be a steady-state crop producer. The principal data set that has been used is the Global Climate Mode (GCM) data from the National Center for Environmental Prediction (NCEP), taken over the last half century. As a test of its accuracy, GCM data can and has been correlated with the actual meteorological station data at the station site.

Welker, J. E.↗
NASA NTRS1994

Grain destruction in shocks in the interstellar medium

Destruction of interstellar dust occurs predominantly in supernova shock waves in the warm neutral/ionized medium (density approximately = 0.25/cu cm, temperature approximately = 10(exp 4) K). Recent theoretical developments and laboratory data for sputtering processes and grain-grain collisional vaporization allows us to better evaluate the grain destruction rate in interstellar shocks in the warm medium. We find that, independent of composition, grain denstruction in supernova blast waves is dominated by nonthermal sputtering for shock velocities greater than 50 km/s and less than or equal to 150 km/s and thermal sputtering at higher shock velocities. We use a detailed scheme for the vaporization of grains colliding at high velocities (v(sub s) greater than or equal to 20 km/s) and show that the grain-grain collision destruction process is only dominant for shock velocities of less than or equal to 50-80 km/s and is less important than previously assumed. Nevertheless, the grain-grain destruction rates are of order 30%-90% of the sputtering rates at v(sub s) greater than 100 km/s and less than 200 km/s and are important in vaporizing the cores of grains. Detailed results for grain destruction as a function of grain size and composition are presented. We also present results for silicon carbide, iron, ice, and porous test particles. For carbonaceous grains we find that the fractional destruction is less than or equal to 0.29, and for silicate it is less than or equal to 0.45, for v(sub s) less than or equal to 200 km/s. We have calculated grain lifetimes, using the three-phase model of the interstellar medium, and find lifetimes of 4 x 10(exp 8) yr for carbonaceous grains and 2.2 x 10(exp 8) yr for silicate grains. Given that the typical stardust injection timescale of 2.5 x 10(exp 9) yr, we conclude that efficient mechanisms for grain growth in the interstellar medium must exist in order that a significant fraction of the refractory elements be incorporated in dust, as observed. Therefore, although our improved model has less vaporization of dust due to grain-grain collisions, sputtering still destroys dust efficiently and grain mantle growth in the interstellar medium is required, a conclusion reached in previous models of grain destruction in the interstellar medium. Carbonaceous mantles on silicate grains can protect the silicate cores from sputtering destruction in interstellar shock waves, provided that the protective mantles can efficiently reform in the interstellar medium. Also, if the grains are porous the postshock grain velocities are lower than for solid particles, and grain destruction is reduced. Porosity and mantling may increase the grain lifetime by factors of approximately 3 and approximately 3-4, respectively. The fraction of interstellar silicon in silicate stardust is therefore less than or equal to 0.25, but more silicon might be depleted in the form of a grain mantle.

Jones, A. P.↗
NASA NTRS1994

Carbon, nitrogen, magnesium, silicon, and titanium isotopic compositions of single interstellar silicon carbide grains from the Murchison carbonaceous chondrite

Seven hundred and twenty SiC grains from the Murchison CM2 chondrite, ranging in size from 1 to 10 micrometers, were analyzed by ion microprobe mass spectrometry for their C-isotopic compositions. Subsets of the grains were also analyzed for N (450 grains), Si (183 grains), Mg (179 grains), and Ti (28 grains) isotopes. These results are compared with previous measurements on 41 larger SiC grains (up to 15 x 26 micrometers) from a different sample of Murchison analyzed by Virag et al. (1992) and Ireland, Zinner, & Amari (1991a). All grains of the present study are isotopically anomalous with C-12/C-13 ratios ranging from 0.022 to 28.4 x solar, N-14/N-15 ratios from 0.046 to 30 x solar, Si-29/Si-28 from 0.54 to 1.20 x solar, Si-30/Si-28 from 0.42 to 1.14 x solar, Ti-49/Ti-48 from 0.96 to 1.95 x solar, and Ti-50/Ti-48 from 0.94 to 1.39 x solar. Many grains have large Mg-26 excesses from the decay of Al-26 with inferred Al-26/Al-27 ratios ranging up to 0.61, or 12,200 x the ratio of 5 x 10(exp -5) inferred for the early solar system. Several groups can be distinguished among the SiC grains. Most of the grains have C-13 and N-14 excesses, and their Si isotopic compositions (mostly excesses in Si-29 and Si-30) plot close to a slope 1.34 line on a Delta Si-29/Si-28 versus Delta Si-30/Si-28 three-isotope plot. Grains with small C-12/C-13 ratios (less than 10) tend to have smaller or no N-14 excesses and high Al-26/Al-27 ratios (up to 0.01). Grains with C-12/C-13 greater than 150 fall into two groups: grains X have N-15 excesses and Si-29 and Si-30 deficits and the highest (0.1 to 0.6) Al-26/Al-27 ratios; grains Y have N-14 excesses and plot on a slope 0.35 line on a Si three-isotope plot. In addition, large SiC grains of the Virag et al. (1992) study fall into three-distinct clusters according to their C-, Si-, and Ti-isotopic compositions. The isotopic diversity of the grains and the clustering of their isotopic compositions imply distinct and multiple stellar sources. The C- and N-isotopic compositions of most grains are consistent with H-burning in the CNO cycle. These and s-process Kr, Xe, Ba, and Nd suggest asymptotic giant branch (AGB) or Wolf-Rayet stars as likely sources for the grains, but existing models of nucleosynthesis in these stellar sites fail to account in detail for all the observed isotopic compositions. Special problems are posed by grains with C-12/C-13 less than 10 and almost normal and heavy N-isotopic compositions. Also the Si- and Ti-isotopic compositions, with excesses in Si-29 and Si-30 relative to Si-28 and excesses in all Ti isotopes relative to Ti-48, do not precisely conform with the compositions predicted for slow neutron capture. Additional theoretical efforts are needed to achieve an understanding of the isotopic composition of the SiC grains and their stellar sources.

Hoppe, Peter↗
NASA NTRS1994

The formation of small grains in shocks in the ISM

Carbonaceous and silicate grains swept up, and betatron accelerated, by supernova-generated shock waves in the interstellar medium are exposed to grain destructive processing. The degree of grain destruction is determined by the differential gas-grain and grain-grain velocities, which lead to sputtering of the grain surface and grain core disruption (deformation, vaporization and shattering), respectively. The threshold pressure for grain shattering in grain-grain collisions (100 k bar) is considerably lower than that for vaporization (approximately 5 M bar). Therefore, collisions between grains shatter large grains into smaller fragments (i.e., small grains and PAH's). Using a new algorithms for the destructive processes, it was possible to model the formation fo small grain fragments in grain-grain collisions in the warm phase of the interstellar medium. It was found that in one cycle through the warm medium (approximately 3 x 10(sup 6) years) of order 1-2% of the total grain mass is shattered into particles with radii of less than 50 A.

Jones, Anthony P.↗
NASA NTRS1995

Grain formation around carbon stars. 1: Stationary outflow models

Asymptotic giant branch (AGB) stars are known to be sites of dust formation and undergo significant mass loss. The outflow is believed to be driven by radiation pressure on grains and momentum coupling between the grains and gas. While the physics of shell dynamics and grain formation are closely coupled, most previous models of circumstellar shells have treated the problem separately. Studies of shell dynamics typically assume the existence of grains needed to drive the outflow, while most grain formation models assume a constant veolcity wind in which grains form. Furthermore, models of grain formation have relied primarily on classical nucleation theory instead of using a more realistic approach based on chemical kinetics. To model grain formation in carbon-rich AGB stars, we have coupled the kinetic equations governing small cluster growth to moment equations which determine the growth of large particles. Phenomenological models assuming stationary outflow are presented to demonstrate the differences between the classical nucleation approach and the kinetic equation method. It is found that classical nucleation theory predicts nucleation at a lower supersaturation ratio than is predicted by the kinetic equations, resulting in significant differences in grain properties. Coagulation of clusters larger than monomers is unimportant for grain formation in high mass-loss models but becomes more important to grain growth in low mass-loss situations. The properties of the dust grains are altered considerably if differential drift velocities are ignored in modeling grain formation. The effect of stellar temperature, stellar luminosity, and different outflow velocities are investigated. The models indicate that changing the stellar temperature while keeping the stellar luminosity constant has little effect on the physical parameters of the dust shell formed. Increasing the stellar luminosity while keeping the stellar temperature constant results in large differences in grain properties. For small outflow velocities, grains form at lower supersaturation ratios and close to the stellar photosphere, resulting in larger but fewer grains. The reverse is true when grains form under high outflow velocities, i.e., they form at higher supersaturation ratios, farther from the star, and are much smaller but at larger quantities.

Egan, Michael P.↗
NASA NTRS1994

Disintegration of Dust Aggregates in Interstellar Shocks and the Lifetime of Dust Grains in the ISM

Interstellar grains are destroyed by shock waves moving through the ISM. In fact, the destruction of grains may be so effective that it is difficult to explain the observed abundance of dust in the ISM as a steady state between input of grains from stellar sources and destruction of grains in shocks. This is especially a problem for the larger grains. Therefore, the dust grains must be protected in some way. Jones et al. have already considered coatings and the increased post-shock drag effects for low density grains. In molecular clouds and dense clouds, coagulation of grains is an important process, and the largest interstellar grains may indeed be aggregates of smaller grains rather than homogeneous particles. This may provide a means to protect the larger grains, in that, in moderate velocity grain-grain collisions in a shock the aggregates may disintegrate rather than be vaporized. The released small particles are more resilient to shock destruction (except in fast shocks) and may reform larger grains later, recovering the observed size distribution. We have developed a model for the binding forces in grain aggregates and apply this model to the collisions between an aggregate and fast small grains. We discuss the results in the light of statistical collision probabilities and grain life times.

Dominik, C.↗