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NASA NTRS2020

Structure and Parameter Uncertainty in Centennial Projections of Forest Community Structure and Carbon Cycling

Secondary forest regrowth shapes community succession and biogeochemistry for decades, including in the Upper Great Lakes region. Vegetation models encapsulate our understanding of forest function, and whether models can reproduce multi‐decadal succession patterns is an indication of our ability to predict forest responses to future change. We test the ability of a vegetation model to simulate C cycling and community composition during 100 years of forest regrowth following stand‐replacing disturbance, asking (a) Which processes and parameters are most important to accurately model Upper Midwest forest succession? (b) What is the relative importance of model structure versus parameter values to these predictions? We ran ensembles of the Ecosystem Demography model v2.2 with different representations of processes important to competition for light. We compared the magnitude of structural and parameter uncertainty and assessed which sub‐model–parameter combinations best reproduced observed C fluxes and community composition. On average, our simulations underestimated observed net primary productivity (NPP) and leaf area index (LAI) after 100 years and predicted complete dominance by a single plant functional type (PFT). Out of 4,000 simulations, only nine fell within the observed range of both NPP and LAI, but these predicted unrealistically complete dominance by either early hardwood or pine PFTs. A different set of seven simulations were ecologically plausible but under‐predicted observed NPP and LAI. Parameter uncertainty was large; NPP and LAI ranged from ~0% to >200% of their mean value, and any PFT could become dominant. The two parameters that contributed most to uncertainty in predicted NPP were plant–soil water conductance and growth respiration, both unobservable empirical coefficients. We conclude that (a) parameter uncertainty is more important than structural uncertainty, at least for ED‐2.2 in Upper Midwest forests and (b) simulating both productivity and plant community composition accurately without physically unrealistic parameters remains challenging for demographic vegetation models.

canopy radiative transfer↗

DOE OSTI2025

Structural features of xylan dictate reactivity and functionalization potential for bio-based materials

Plant-based materials have the potential to replace some petroleum-based products, offering compostability and biodegradability as critical advantages. Xylan-rich biomass sources are gaining recognition due to their abundance and underutilization in current industrial applications. Research of potential xylan applications has been complicated by the complex and heterogeneous structure that varies for different xylan feedstocks. Acylation is a broadly used reaction in functionalization of polysaccharides at an industrial scale. However, the efficiency of this reaction varies with the xylan source. To optimize xylan valorization, a systematic understanding of structure–reactivity relationships is essential. This study explores, characterizes, and compares various xylan feedstocks in the acylation process. Xylan feedstocks were analyzed for their chemical composition, degree of polymerization, branching, solubility, and presence of impurities. These features were correlated with xylan glycotypes’ reactivity toward functionalization with succinic anhydride in an optimized DMSO/KOH condition, achieving carboxyl contents of up to 1.46. We used principal component analysis and hierarchical clustering to identify key structural features of xylan that promote its reactivity. Our findings reveal that xylans with higher xylose content and lower degrees of branching exhibit enhanced reactivity, achieving higher carboxyl content and yields. Structural analyses confirmed successful modification, and light scattering analyses showed dramatic changes in the solution properties. Succinylation improves the solubility and film-forming properties of native xylans. This study shows key structure–reactivity relationships in xylan succinylation, establishing that low branching, high xylose content, and reduced lignin impurity enhance chemical functionalization. The results offer a framework for selecting optimal biomass feedstocks and support future efforts in genetic and synthetic biology to design plants with tunable xylan architectures. These findings advance the hemicellulose valorization for applications in coatings and packaging.

Acylation↗

NASA NTRS2002

Structural Modeling of a Five-Meter Thin Film Inflatable Antenna/Concentrator

Inflatable structures have been the subject of renewed interest in recent years for space applications such as communications antennas, solar thermal propulsion, and space solar power. A major advantage of using inflatable structures in space is their extremely light weight. An obvious second advantage is on-orbit deployability and related space savings in the launch configuration. A recent technology demonstrator flight for inflatable structures was the Inflatable Antenna Experiment (IAE) that was deployed on orbit from the Shuttle Orbiter. Although difficulty was encountered in the inflation/deployment phase, the flight was successful overall and provided valuable experience in the use of such structures. Several papers on static structural analysis of inflated cylinders have been written, describing different techniques such as linear shell theory, and nonlinear and variational methods, but very little work had been done in dynamics of inflatable structures until recent years. In 1988 Leonard indicated that elastic beam bending modes could be utilized in approximating lower-order frequencies of inflatable beams. Main, et al. wrote a very significant 1995 paper describing results of modal tests of inflated cantilever beams and the determination of effective material properties. Changes in material properties for different pressures were also discussed, and the beam model was used in a more complex structure. The paper demonstrated that conventional finite element analysis packages could be very useful in the analysis of complex inflatable structures. The purposes of this paper are to discuss the methodology for dynamically characterizing a large 5-meter thin film inflatable reflector, and to discuss the test arrangement and results. Nonlinear finite element modal results are compared to modal test data. The work is significant and of considerable interest to researchers because of 1) the large size of the structure, making it useful for scaling studies, and 2) application of commercially available finite element software for modeling pressurized thin-film structures.

Smalley, Kurt B.↗

DOE OSTI2026

Synthesis and characterization of 5,15-bis(hydroxymethyl)porphyrins – simple compounds distantly inspired by the chlorosomal bacteriochlorophylls

A self-assembly paradigm is provided in green photosynthetic bacteria by the chlorin macrocycle bacteriochlorophyll (BChl) c, which contains a 3-(1-hydroxyethyl) substituent, central magnesium ion, and 13-keto group. The assembled BChl c structure is a powerful light-harvesting apparatus that can support life even under extreme low-light conditions. Here, inspired by the work of Balaban, two far simpler porphyrins have been synthesized, 5,15-bis(hydroxymethyl)-10,20-diphenylporphinatozinc(II) (Ph/CH 2 OH) and 5,15-bis(hydroxymethyl)porphinatozinc(II) (H/CH 2 OH), and analogues wherein ethyl replaces hydroxymethyl (Ph/Et and H/Et). Examination of Ph/CH 2 OH and H/CH 2 OH by time-resolved spectroscopy showed an ∼2-fold enhancement in the singlet excited-state lifetime compared to meso-tetraphenylporphinatozinc(II) (ZnTPP). The single-crystal X-ray diffraction revealed distinct packing patterns. Porphyrin Ph/CH 2 OH exhibited double staircases wherein (1) each zinc is pentacoordinate (by apical coordination of one hydroxymethyl group of a porphyrin in the same staircase), (2) the second hydroxymethyl group is hydrogen-bonded to an apically coordinated hydroxymethyl oxygen atom in the adjacent staircase, (3) the porphyrins in a given staircase are coplanar but cofacially offset with each other, and (4) the adjacent staircases are oriented approximately 72° relative to each other. Porphyrin H/CH 2 OH assembled wherein (1) each zinc is hexacoordinate by ligation of hydroxymethyl moieties, (2) each hydroxymethyl –OH is hydrogen-bonded with an acetonitrile solvent molecule in the lattice, and (3) the planes of the four nearest neighbor porphyrins are essentially perpendicular to a given porphyrin. Study of the solid-state packing patterns of sparsely substituted porphyrins enables insights into how the structural design of tetrapyrroles can guide their aggregate self-assembly.

Tran, Vy-Phuong [North Carolina State University, ↗

NASA NTRS2000

Jet-Like Structures and Wake in Mg I (518 nm) Images of 1999 Leonid Storm Meteors

Small meteoric fragments are ejected at significant transverse velocities from some (up to approx. 8%) fast Leonid meteors. We reach this conclusion using low light intensified image measurements obtained during the 1999 Leonid Multi-Instrument Aircraft Campaign. High spatial resolution, narrow band image measurements of the Mg I emission at 518 nm have been used to clearly identify jet-like features in the meteor head that are the same as first observed in white light. We postulate that these unusual structures are caused by tiny meteoroid fragments (containing metallic grains) being rapidly ejected away from the core meteoroid as the constituent glue evaporates. Marked curvature observed in the jet-like filaments suggest that the parent meteoroids are spinning and as the whirling fragments are knocked away by the impinging air molecules, or by grain-grain collisions in the fragment ensemble, they ablate quickly generating an extended area of structured luminosity up to about 1-2 km from the meteoroid center. Fragments with smaller transverse velocity components are thought to be responsible for the associated beading evident in the wake of these unusual Leonid meteors.

Taylor, M. J.↗

DOE OSTI2020

The Hoyle Family: The Search for Alpha-Condensate States in Light Nuclei

Our present understanding of the structure of the Hoyle state in 12 C and other near-threshold states in α-conjugate nuclei is reviewed in the framework of the α-condensate model. The 12 C Hoyle state, in particular, is a candidate for α-condensation, due to its large radius and α-cluster structure. The predicted features of nuclear α-particle condensates are reviewed along with a discussion of their experimental indicators, with a focus on precision break-up measurements. Two experiments are discussed in detail, firstly concerning the break-up of 12 C and then the decays of heavier nuclei. With more theoretical input, and increasingly complex detector setups, precision break-up measurements can, in principle, provide insight into the structures of states in α-conjugate nuclei. However, the commonly-held belief that the decay of a condensate state will result in Nα-particles is challenged. We further conclude that unambiguously characterizing excited states built on α-condensates is difficult, despite improvements in detector technology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1974

The occultation of beta Scorpii by Jupiter. I - The structure of the Jovian upper atmosphere

The light curves of beta Scorpii AB and C were recorded during occultation by Jupiter with a time resolution of 0.01 sec. The spikes on the curves, correlated with flashes observed through the eyepiece, are shown to be due to density fluctuations in Jupiter's atmosphere. Using the delays in spike arrival times, the ratio of the refractivities at 3934 and 6201 A is found to be 0.9713 + or - 0.0015. Temperature profiles for three different assumed atmospheric compositions are generated from the light curves. Assuming the terrestrial value for the eddy diffusion coefficient, the turbopause is calculated to occur at the 10 to the 13th power per cu cm level, below which a positive temperature gradient of about 1 K/km is indicated.

Veverka, J.↗

NASA NTRS1982

Onsite Fabrication of Trusses and Structures

Tribeam truss that is strong and light made at site where used. Reinforced plastic members are fabricated by beam-making machine and assembled by assembly and welding machines. Although proposed for space-platform assembly, concept may be useful in terrestrial applications in remote or inaccessible places.

Bodle, J. G.↗

NASA NTRS1986

Light weight fire resistant graphite composites

Composite structures with a honeycomb core and characterized by lightweight and excellent fire resistance are provided. These sandwich structures employ facesheets made up of bismaleimide-vinyl styrylpyridine copolymers with fiber reinforcement such as carbon fiber reinforcement. In preferred embodiments the facesheets are over layered with a decorative film. The properties of these composites make them attractive materials of construction aircraft and spacecraft.

Kourtides, D. A.↗

DOE OSTI2022

Crystal Prediction and Design of Tunable Light Emission in BTB–Based Metal–Organic Frameworks

Metal-organic frameworks (MOFs) have recently been shown to exhibit unique mechanisms of luminescence based on charge transfer between structural units in the framework. These MOFs have the potential to be structural tuned for targeted emission with little or no metal participation. Here a computationally led, material design and synthesis methodology is presented that elucidates the mechanisms of light emission in interpenetrated structures comprised of metal centers (M = In, Ga, InGa, InEu) and BTB (1,3,5-Tris(4-carboxyphenyl)benzene) linkers, forming unique luminescent M-BTB MOF frameworks. Gas phase and periodic electronic structure calculations indicate that the intensity of the emission and the wavelength are overwhelmingly controlled by a combination of the number of interacting stacked linkers and their interatomic spacings, respectively. In the MOF, the ionic radii of the metal centers primarily control the expansion or shrinkage of the linker stacking distances. Experimentally, multiple M-BTB-based MOFs are synthesized and their photoluminescence was tested. Experiments validated the modeling by confirming that shifts in the crystal structure result in variations in light emission. Through this material design method, the mechanisms of tuning luminescence properties in interpenetrated M-BTB MOFs have been identified and applied to the design of MOFs with specific wavelength emission based on their structure.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Small band gap superlattices as intrinsic long wavelength infrared detector materials

Intrinsic long wavelength (lambda greater than or equal to 10 microns) infrared (IR) detectors are currently made from the alloy (Hg, Cd)Te. There is one parameter, the alloy composition, which can be varied to control the properties of this material. The parameter is chosen to set the band gap (cut-off wavelength). The (Hg, Cd)Te alloy has the zincblend crystal structure. Consequently, the electron and light-hole effective masses are essentially inversely proportional to the band gap. As a result, the electron and light-hole effective masses are very small (M sub(exp asterisk)/M sub o approx. M sub Ih/M sub o approx. less than 0.01) whereas the heavy-hole effective mass is ordinary size (M sub hh(exp asterisk)/M sub o approx. 0.4) for the alloy compositions required for intrinsic long wavelength IR detection. This combination of effective masses leads to rather easy tunneling and relatively large Auger transition rates. These are undesirable characteristics, which must be designed around, of an IR detector material. They follow directly from the fact that (Hg, Cd)Te has the zincblend crystal structure and a small band gap. In small band gap superlattices, such as HgTe/CdTe, In(As, Sb)/InSb and InAs/(Ga,In)Sb, the band gap is determined by the superlattice layer thicknesses as well as by the alloy composition (for superlattices containing an alloy). The effective masses are not directly related to the band gap and can be separately varied. In addition, both strain and quantum confinement can be used to split the light-hole band away from the valence band maximum. These band structure engineering options can be used to reduce tunneling probabilities and Auger transition rates compared with a small band gap zincblend structure material. Researchers discuss the different band structure engineering options for the various classes of small band gap superlattices.

Smith, Darryl L.↗

DOE OSTI2025

Differential absorption of circularly polarized light by a centrosymmetric crystal

Crystalline solids are governed by universal structure-property relationships derived from their crystal symmetry, leading to paradigmatic rules on what properties they can and cannot exhibit. A long-held structure-property relationship is that centrosymmetric crystals cannot differentially absorb circularly polarized light. In this study, we demonstrate the design, synthesis, and characterization of the centrosymmetric material Li 2 Co 3 (SeO 3 ) 4 , which violates this relationship not by defying symmetry-imposed selection rules but by invoking a photophysical process not previously characterized for crystalline solids. This process originates from an interference between linear dichroism and linear birefringence, referred to as LD-LB, and involves strong chiroptical signals that invert upon sample flipping. Here, in addition to enabling a chiroptical response under centrosymmetry, this process opens up photonic engineering opportunities based on crystalline solids.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Vertical and Lateral Etch Survey of Ferroelectric AlN/Al 1-x Sc x N in Aqueous KOH Solutions

Due to their favorable electromechanical properties, such as high sound velocity, low dielectric permittivity and high electromechanical coupling, Aluminum Nitride (AlN) and Aluminum Scandium Nitride (Al 1-x Sc x N) thin films have achieved widespread application in radio frequency (RF) acoustic devices. The resistance to etching at high scandium alloying, however, has inhibited the realization of devices able to exploit the highest electromechanical coupling coefficients. In this work, we investigated the vertical and lateral etch rates of sputtered AlN and Al 1-x Sc x N with Sc concentration x ranging from 0 to 0.42 in aqueous potassium hydroxide (KOH). Etch rates and the sidewall angles were reported at different temperatures and KOH concentrations. We found that the trends of the etch rate were unanimous: while the vertical etch rate decreases with increasing Sc alloying, the lateral etch rate exhibits a V-shaped transition with a minimum etch rate at x = 0.125. By performing an etch on an 800 nm thick Al 0.875 Sc 0.125 N film with 10 wt% KOH at 65 °C for 20 min, a vertical sidewall was formed by exploiting the ratio of the {$10\overline{11}$ planes and {$1\overline{1}00$ planes etch rates. This method does not require preliminary processing and is potentially beneficial for the fabrication of lamb wave resonators (LWRs) or other microelectromechanical systems (MEMS) structures, laser mirrors and Ultraviolet Light-Emitting Diodes (UV-LEDs). It was demonstrated that the sidewall angle tracks the trajectory that follows the {$\overline{1}2\overline{12}$ of the hexagonal crystal structure when different c/a ratios were considered for elevated Sc alloying levels, which may be used as a convenient tool for structure/composition analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2015

Method of Making Lightweight, Single Crystal Mirror

A method of making a mirror from a single crystal blank may include fine grinding top and bottom surfaces of the blank to be parallel. The blank may then be heat treated to near its melting temperature. An optical surface may be created on an optical side of the blank. A protector may be bonded to the optical surface. With the protector in place, the blank may be light weighted by grinding a non-optical surface of the blank using computer controlled grinding. The light weighting may include creating a structure having a substantially minimum mass necessary to maintain distortion of the mirror within a preset limit. A damaged layer of the non-optical surface caused by light weighting may be removed with an isotropic etch and/or repaired by heat treatment. If an oxide layer is present, the entire blank may then be etched using, for example, hydrofluoric acid. A reflecting coating may be deposited on the optical surface.

Bly, Vincent T.↗

NASA NTRS1993

(abstract) Mechanism of Selective Porosification at Heterojunctions in Group IV Multilayer Structures

Highly selective porosification of SiGe or Ge layers is observed in multilayer Si/SiGe or Si/Ge structures grown on (100)Si. These alternating porous/nonporous structures could potentially be used to fabricate light-emitting devices. The etch-selectivity appears to be dominated by band-structure effects and other factors such as lattice strain and electrochemical potential differences play a minor role. Additional structures and electrolytic etching are being examined to confirm these results.

porosification silicon Si Ge germanium light emitt↗

NASA NTRS1971

The earth and the moon /Harold Jeffreys Lecture/.

The internal structures of the earth and the moon are compared in the light of the latest extensive data on the earth structure, mobility of the earth outer layers, and the properties of lunar crust. The Monte Carlo method is applied to develop an earth model by a stepwise process beginning with a random distribution of two elastic velocities and the density as a function of de pth. Lunar seismic, magnetic, and rock analysis data are used to infer the properties of the moon. The marked planetological contrast between the earth and the moon is shown to consist in that the earth is highly differentiated and still undergoes a large-scale differentiation, while the moon has lost its volatiles in its early history and has a cold dynamically inactive shell which has been without basic changes for three billion years.

Press, F.↗

NASA NTRS1988

Structural identification and damage assessment of large space structures

Two different methods are proposed for identifying the structural properties of large orbiting space structures under ordinary service loads, and for assessing potential damage due to impact or other extreme loadings. It is shown that the behavior of a structure in a weightless environment is nonlinear due to unloaded or lightly loaded connections, an effect which not only complicates structural control, but makes the problem of system identification more difficult than for ground based systems. Both proposed methods assume that the structure is subjected to loads imposed by prescribed self stressing systems sufficient to produce repeatable internal force systems in the structure. The first method is based on statical response and requires a survey of structural displacements produced by the self stressing systems. The displacements do not have to be determined completely (i.e., in three directions at each connection), but more displacement information produces more accurate structural stiffness information. It is anticipated that displacement measurements will be taken using on-board laser measurement devices. The second technique employs dynamic stress wave measurement techniques using on-board loading devices and strain gages to track stress wave propagation through the space structure. This approach, which is in its early stages of development, relies on an analysis of transit times of impulsive stress waves and changes in transit times and wave forms due to changes in structural parameters.

Nelson, Richard B.↗

DOE OSTI2025

The structure of liquid carbon elucidated by in situ X-ray diffraction

Carbon has a central role in biology and organic chemistry, and its solid allotropes provide the basis of much of our modern technology. However, the liquid form of carbon remains nearly uncharted, and the structure of liquid carbon and most of its physical properties are essentially unknown. But liquid carbon is relevant for modelling planetary interiors and the atmospheres of white dwarfs, as an intermediate state for the synthesis of advanced carbon materials, inertial confinement fusion implosions, hypervelocity impact events on carbon materials and our general understanding of structured fluids at extreme conditions. Here we present a precise structure measurement of liquid carbon at pressures of around 1 million atmospheres obtained by in situ X-ray diffraction at an X-ray free-electron laser. Our results show a complex fluid with transient bonding and approximately four nearest neighbours on average, in agreement with quantum molecular dynamics simulations. The obtained data substantiate the understanding of the liquid state of one of the most abundant elements in the universe and can test models of the melting line. The demonstrated experimental abilities open the path to performing similar studies of the structure of liquids composed of light elements at extreme conditions.

74 ATOMIC AND MOLECULAR PHYSICS↗