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NASA NTRS2007

Numerical Solution of Light Scattered from and Transmitted through a Rough Dielectric Surface with Applications to Periodic Roughness and Isolated Structures

Light scattering and transmission by rough surfaces are of considerable interest in a variety of applications including remote sensing and characterization of surfaces. In this work, the finite-difference time domain technique is applied to calculate the scattered and transmitted electromagnetic fields of an infinite periodic rough surface. The elements of Mueller matrix for scattered light are calculated by an integral of the near fields over a significant number of periods of the surface. The normalized Mueller matrix elements of the scattered light and the spatial distribution of the transmitted flux for a monolayer of micron-sized dielectric spheres on a silicon substrate are presented. The numerical results show that the nonzero Mueller matrix elements of the system of the monolayer of dielectric spheres on a silicon substrate have specific maxima at some scattering angles. These maxima may be used in characterization of the feature of the system. For light transmitted through the monolayer of spheres, our results show that the transmitted energy focuses around the ray passing through centers of the spheres. At other locations, the transmitted flux is very small. The technique also may be used to calculate the perturbance of the electromagnetic field due to the presence of an isolated structure on the substrate.

Sun, Wenbo↗

DOE OSTI2026

Majorana Edge Modes in Isolated Wires

Topological superconductors are believed to host exotic quasiparticle excitations known as Majorana zero modes (MZMs), with much of the evidence based on BCS mean-field theory. The direct application of mean-field arguments is tenuous in finite, isolated systems relevant in some experiments. Here, we develop a new correlation-based method for identifying MZMs in interacting, number-conserving systems. Using the density matrix renormalization group, we study fermion number-conserving models with long-range interactions, which under periodic boundary conditions exhibit robust topological and nontopological superconductivity, tuned by the strength of interaction [Ortiz et al., Phys. Rev. Lett. 113, 267002 (2014)]. We find evidence that, on the topological side, Majorana edge modes appear in open chains, manifesting as the vanishing of the energy splitting between odd- and even-parity ground states with increasing system size. Additionally, off-diagonal two-point correlation functions show nonlocal, parity-dependent edge effects. These correlations reveal the spatial structure of Majorana modes in the many-body wave function. We show that the correlation diagnostic applies broadly, including to short-range interacting models, where topological superconductivity is more fragile due to the absence of a bulk excitation gap.

Thomas-Markarian, Jaden↗

NASA NTRS1977

An analysis of the technical status of high level radioactive waste and spent fuel management systems

The technical status of the old U.S. mailine program for high level radioactive nuclear waste management, and the newly-developing program for disposal of unreprocessed spent fuel was assessed. The method of long term containment for both of these waste forms is considered to be deep geologic isolation in bedded salt. Each major component of both waste management systems is analyzed in terms of its scientific feasibility, technical achievability and engineering achievability. The resulting matrix leads to a systematic identification of major unresolved technical or scientific questions and/or gaps in these programs.

English, T.↗

NASA NTRS1989

Finite element modeling of frictionally restrained composite interfaces

The use of special interface finite elements to model frictional restraint in composite interfaces is described. These elements simulate Coulomb friction at the interface, and are incorporated into a standard finite element analysis of a two-dimensional isolated fiber pullout test. Various interfacial characteristics, such as the distribution of stresses at the interface, the extent of slip and delamination, load diffusion from fiber to matrix, and the amount of fiber extraction or depression are studied for different friction coefficients. The results are compared to those obtained analytically using a singular integral equation approach, and those obtained by assuming a constant interface shear strength. The usefulness of these elements in micromechanical modeling of fiber-reinforced composite materials is highlighted.

Ballarini, Roberto↗

NASA NTRS1994

Autolysis and extension of isolated walls from growing cucumber hypocotyls

Walls isolated from cucumber hypocotyls retain autolytic activities and the ability to extend when placed under the appropriate conditions. To test whether autolysis and extension are related, we treated the walls in various ways to enhance or inhibit long-term wall extension ('creep') and measured autolysis as release of various saccharides from the wall. Except for some non-specific inhibitors of enzymatic activity, we found no correlation between wall extension and wall autolysis. Most notably, autolysis and extension differed strongly in their pH dependence. We also found that exogenous cellulases and pectinases enhanced extension in native walls, but when applied to walls previously inactivated with heat or protease these enzymes caused breakage without sustained extension. In contrast, pretreatment of walls with pectinase or cellulase, followed by boiling in methanol to inactivate the enzymes, resulted in walls with much stronger expansin-mediated extension responses. Crude protein preparations from the digestive tracts of snails enhanced extension of both native and inactivated walls, and these preparations contained expansin-like proteins (assessed by Western blotting). Our results indicate that the extension of isolated cucumber walls does not depend directly on the activity of endogenous wall-bound autolytic enzymes. The results with exogenous enzymes suggest that the hydrolysis of matrix polysaccharides may not induce wall creep by itself, but may act synergistically with expansins to enhance wall extension.

NASA Discipline Plant Biology↗

DOE OSTI2025

Inelastic Neutron Scattering Data for Ba₃Zn(Ru₀.₁Sb₁.₉)O₉

This dataset contains inelastic neutron scattering measurements on the magnetically dilute compound Ba₃Zn(Ru₀.₁Sb₁.₉)O₉, collected at the Spallation Neutron Source using the Cold Neutron Chopper Spectrometer (CNCS) and the SEQUOIA Fine-Resolution Fermi Chopper Spectrometer. The sample consists of nominally 5% magnetic Ru⁵⁺ ions (S = 3/2) randomly substituted into a diamagnetic Sb⁵⁺ matrix. Measurements were performed at base temperature (2–5 K) and 300 K using multiple incident energies (1.00, 3.32, 12.0, and 100 meV) to resolve magnetic excitations from isolated monomers and small Ru clusters (dimers, trimers, etc.). The dataset includes raw event-mode files, momentum- and energy-resolved spectra, and supporting metadata for instrument configuration, sample environment, and reduction parameters.

36 MATERIALS SCIENCE↗

NASA NTRS1974

Application of antiresonance theory to helicopters

Antiresonance theory is the principle underlying nonresonant nodes in a structure, and covers both nonresonant nodes occurring naturally and those introduced by devices such as dynamic absorbers and antiresonant isolators. The dynamic antiresonant vibration isolator (DAVI) and the nodale module are examples of the applications of transfer antiresonances. It is shown that antiresonances are eigenvalues, and that they can be determined by matrix iteration. Applications of antiresonance theory to helicopter engineering problems, using the antiresonant eigenvalue equation are suggested.

Bartlett, F. D., Jr.↗

NASA NTRS1987

A time domain technique for mechanism extraction

The properties of scattered fields from a structure can be better evaluated from the characteristics of the individual scatterers. Decomposition techniques can be classified either as a matrix or an integral formulation. With either formulation, aspect pattern of frequency information of a scattering center can be obtained. Emphasis is placed on an integral (time domain) isolation extraction technique to obtain the frequency characteristics of scattering mechanisms. This technique has its origins in the time domain interpretation of scattered fields.

Dominek, Allen K.↗

NASA NTRS2013

Refinement of the Robert-Bonamy Formalism: Considering Effects from the Line Coupling

Since it was developed in 1979, the Robert-Bonamy (RB) formalism has been widely used in calculating pressure broadened half-widths and induced shifts for many molecular systems. However, this formalism contains several approximations whose applicability has not been thoroughly justified. One of them is that lines of interest are well isolated. When these authors developed the formalism, they have relied on this assumption twice. First, in calculating the spectral density F(ω), they have only considered the diagonal matrix elements of the relaxation operator. Due to this simplification, effects from the line mixing are ignored. Second, when they applied the linked cluster theorem to remove the cutoff, they have assumed the matrix elements of the operator exp(-iS(sub 1) - S(sub 2)) can be replaced by the exponential of the matrix elements of -iS(sub 1) - S(sub 2). With this replacement, effects from the line coupling are also ignored. Although both these two simplifications relied on the same approximation, their validity criteria are completely different and the latter is more stringent than the former. As a result, in many cases where the line mixing becomes negligible, significant effects from the line coupling have been completely missed. In the present study, we have developed a new method to evaluate the matrix elements of exp(-iS(sub 1) - S(sub 2)) and have refined the RB formalism such that line coupling can be taken into account. Our numerical calculations of the half-widths for Raman Q lines of the N(sub 2)-N(sub 2) pair have demonstrated that effects from the line coupling are important. In comparison with values derived from the RB formalism, new calculated values for these lines are significantly reduced. A recent study has shown that in comparison with the measurements and the most accurate close coupling calculations, the RB formalism overestimates the half-widths by a large amount. As a result, the refinement of the RB formalism goes in the right direction and these new calculated half-widths become closer to the "true" values.

spectra↗

DOE OSTI2021

A pathway to unveiling neutrinoless ββ decay nuclear matrix elements via γγ decay

We investigate the experimental feasibility of detecting second-order double-magnetic dipole (γγ-M1M1) decays from double isobaric analog states (DIAS), which have recently been found to be strongly correlated with the nuclear matrix elements of neutrinoless ββ decay. Using the nuclear shell model, we compute theoretical branching ratios for γγ-M1M1 decays and compare them with other competing processes, such as single-γ decay and proton emission, which represent the dominant decay channels. We also estimate the potential competition from internal conversion and internal pair creation, which can influence the decay dynamics. Additionally, we propose an experimental strategy based on using LaBr3 scintillators to identify γγ-M1M1 transitions from the DIAS amidst the background of the competing processes. Our approach emphasizes the challenges of isolating the rare γγ-M1M1 decay and suggests ways to enhance the experimental detection sensitivity. Our simulations suggest that it may be possible to access experimentally γγ-M1M1 decays from DIAS, shedding light on the neutrinoless ββ decay nuclear matrix elements.

Romeo, Beatriz↗

DOE OSTI2026

Plutonium migration and phase evolution in irradiated U-Pu-Zr metallic fuels: An integrated EPMA-SEM-TEM study

Constituent redistribution is a defining feature of irradiated U-Pu-Zr metallic fuels, yet its mechanisms and effects on fuel performance are not sufficiently resolved to guide model development. Although decades of irradiation testing have established broad trends, a true mechanistic understanding of constituent redistribution has not been achieved. Here, in this study, we use electron probe microanalysis (EPMA), scanning electron microscopy (SEM), and transmission electron microscopy-based (TEM) selective area electron diffraction (SAED) on a EBR-II irradiated U-19 wt.% Pu-6 wt.% Zr fuel pin cross-section to correlate the composition, porosity, and crystallographic phases formed after irradiation. Constituent redistribution is thought to consist of three distinct zones, in which uranium and zirconium migrate while plutonium remains relatively unchanged. Our EPMA results resolve eight distinct compositional regions, and more importantly, show that plutonium redistributes alongside zirconium, contrary to historical assumptions. The distribution of fission products was highly asymmetric with a few large lanthanide precipitates observed at isolated sites on the pin periphery instead of a uniform distribution of smaller precipitates around the periphery. Using thermodynamic data from TAF-ID and the measured EPMA compositions, matrix phase fractions were predicted across the fuel radius. Phase predictions based on composition did not match TEM/SAED results, which revealed a much higher fraction of α−U phase than would be expected if phases were retained from reactor temperatures. These findings highlight the need for expanded SAED phase identification to capture post-irradiation and storage effects, as well as rigorous uncertainty quantification in fuel performance and phase diagram modeling to better constrain predictions from compositional data.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Alloying of U-Al-SS as a Simulant for Pu-Al-SS Alloying

The Savannah River National Laboratory evaluated several options for disposition of stainless steel (SS)–clad plutonium metal, particularly Pu-10.6 at. % Al (Pu- 1.3 wt% Al) alloy fuel. One technology considered was alloying fuel with SS. The goal of the alloying would be to make a SS-Pu alloy that was a nonproliferable waste form with secondary Pu-rich microencapsulated regions distributed throughout the refractory SS. The microencapsulation of the Pu regions should therefore allow the waste form to meet the requirements for a low attractiveness waste as defined by the U.S. Department of Energy. Plutonium-bearing alloys at these levels could potentially be suitable for disposal at a waste isolation pilot plant. Four metal ingots were successfully fabricated using U and Al as a surrogate for Pu-Al. The U was distributed and microencapsulated by the alloy matrix, thereby setting the stage for subsequent tests using SS-clad fuel elements containing Pu-10.6Al.

36 MATERIALS SCIENCE↗

NASA NTRS2010

Chemical Evolution of Presolar Organics in Astromaterials

Sub-micron, hollow organic globules reported from several carbonaceous chondrites, interplanetary dust particles, and comet Wild-2 samples returned by NASA?s Stardust mission are enriched in N-15/N-14 and D/H compared with terrestrial materials and the parent materials [1-4]. These anomalies are ascribed to the preservation of presolar cold molecular cloud material from where H, C, and N isotopic constraints point to chemical fractionation near 10 K [5]. An origin well beyond the planet forming region and their survival in meteorites suggests submicrometer organic globules were once prevalent throughout the solar nebula. The survival of the membrane structures indicates primitive meteorites and cometary dust particles would have delivered these organic precursors to the early Earth as well as other planets and satellites. The physical, chemical, and isotopic properties of the organic globules varies to its meteorite types and its lithologies. For example, organic globules in the Tagish Lake meteorite are always embedded in fined grained (poorly crystallized) saponite, and hardly encapsulated in coarse grained serpentine, even though saponite and serpentine are both main components of phyllosilicate matrix of the Tagish Lake meteorite. The organic globules are commonly observed in the carbonate-poor lithology but not in the carbonate-rich one. In Tagish Lake, isolated single globules are common, but in the Bells (CM2) meteorite, globules are mostly aggregated. We will review the evolutions of the organic globules from its birth to alteration in the parent bodies in terms of its own physical and chemical properties as well as its associated minerals.

Nakamura-Messenger, K.↗

NASA NTRS2016

Sublimation as a Landform-Shaping Process on Pluto

Several icy-world surfaces in the solar system exhibit sublimation-driven landform modification erosion, condensation, and mass wasting [1]. In addition to the obvious role of gravity, mass wasting can work in conjunction with internal disaggregation of a landform's relief-supporting material through the loss (or deteriorating alteration) of its cohesive matrix. To give a conspicuous example, Callisto's landscape exhibits widespread erosion from sublimation erosion of slopes, which results in smooth, undulating, low albedo plains composed of lag deposits, with isolated high albedo pinnacles perched on remnants of crater rims due to the re-precipitation of ice on local cold traps [2, 3, 4]. Sublimation-driven mass wasting was anticipated on Pluto prior to the encounter (see refs in [5]). Here we report on several landscapes on Pluto we interpret to be formed, or at least heavily modified, by sublimation erosion.

Properties of Ice at Pluto↗

DOE OSTI2022

Assembly of ordered DNA-curli fibril complexes during Salmonella biofilm formation correlates with strengths of the type I interferon and autoimmune responses

Deposition of human amyloids is associated with complex human diseases such as Alzheimer’s and Parkinson’s. Amyloid proteins are also produced by bacteria. The bacterial amyloid curli, found in the extracellular matrix of both commensal and pathogenic enteric bacterial biofilms, forms complexes with extracellular DNA, and recognition of these complexes by the host immune system may initiate an autoimmune response. Here, we isolated early intermediate, intermediate, and mature curli fibrils that form throughout the biofilm development and investigated the structural and pathogenic properties of each. Early intermediate aggregates were smaller than intermediate and mature curli fibrils, and circular dichroism, tryptophan, and thioflavin T analyses confirmed the establishment of a beta-sheet secondary structure as the curli conformations matured. Intermediate and mature curli fibrils were more immune stimulatory than early intermediate fibrils in vitro . The intermediate curli was cytotoxic to macrophages independent of Toll-like receptor 2. Mature curli fibrils had the highest DNA content and induced the highest levels of Isg15 expression and TNFα production in macrophages. In mice, mature curli fibrils induced the highest levels of anti-double-stranded DNA autoantibodies. The levels of autoantibodies were higher in autoimmune-prone NZBWxF/1 mice than wild-type C57BL/6 mice. Chronic exposure to all curli forms led to significant histopathological changes and synovial proliferation in the joints of autoimmune-prone mice; mature curli was the most detrimental. In conclusion, curli fibrils, generated during biofilm formation, cause pathogenic autoimmune responses that are stronger when curli complexes contain higher levels of DNA and in mice predisposed to autoimmunity.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Angular Distribution of Dimuons from Drell-Yan Production in p+Fe Interactions at 120 GeV Beam Energy

In the E906/SeaQuest Fermilab experiment, we report a measurement of the angular distributions by measuring the angular parameters $\lambda$, $\mu$, and $\nu$ of Drell-Yan dimuons produced using a 120 GeV proton beam incident on an iron target. The angular distribution in the naive Drell-Yan model does not show any $\cos2\phi$ dependency, where $\phi$ denotes the azimuthal angle of dimuons in the Collins-Soper frame. However, pion-induced Drell-Yan experiments, such as NA10 and E615, have observed a significant dependence on $\cos2\phi$. The Boer–Mulders function, a transverse momentum-dependent distribution function, represents the correlation between the transverse spin and the transverse momentum of the quark. A non-zero Boer-Mulders function or an improved higher-order Drell-Yan model considering QCD effects can produce a $\cos 2\phi$ modulation in the Drell-Yan angular distribution. To measure the angular distributions, we have used an event mixing method to construct the combin atorial background, which was then subtracted from the data to isolate the Drell-Yan signal. Following this, we corrected the detector, trigger, and reconstruction efficiencies using a doubly-iterative Bayesian Unfolding method. This iterative unfolding technique improves the response matrix based on the results of the previous unfolding step, ensuring robust convergence without exaggeration of uncertainties. The angular distributions of the dimuons were measured over the invariant mass range $5.0 < M_{\mu^+ \mu^-} < 8.0$ $GeV/c^2$, with dimuon transverse momentum $P_T < 2$ GeV/c and Feynman-x $-0.18 < x_F < 0.9$. The measured angular distributions are then compared with the QCD calculations for $p + \text{Fe}$ interactions, and proton-induced angular distribution measurements from other experiments. We have observed weak $\cos 2\phi$ modulations as a function of $P_T$. For $P_T > 1.0 \, \text{GeV}/c$, the predicted NNLO perturbative QCD value of $\nu$ is larger than what we have me asured at E906/SeaQuest. Moreover, we have not observed a strong dependence of $\nu$ on the kinematic variables, such as dimuon mass $M_{\mu^+ \mu^-}$ and Bjorken-$x$. The spin alignment of the virtual photon, $\lambda$, measured from the SeaQuest Drell-Yan $p+\text{Fe}$ data, is found to be strongly dependent on $P_T$, decreasing as $P_T$ increases. $\lambda$ also holds to the upper bound condition $\lambda < 1.0$ within the statistical uncertainty, showing a trend similar to that predicted by NNLO perturbative QCD. However, for $1.0 < P_T < 2.0 \, \text{GeV}/c$, the extracted $\lambda$ value from SeaQuest is smaller than that predicted by perturbative QCD at NNLO.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2021

Application of Whole Genome Sequencing and MALDI-TOF to the Identifcation of Bacillus Species Isolated from Cleanrooms at NASA Johnson Space Center

Astromaterial cleanrooms at NASA Johnson Space Center are built environments that hold samples, such as lunar rocks, from different space exploration missions. Bacillus sp. are frequently detected in routine microbial monitoring of these facilities. Since this, and related genera, can form endospores that can withstand harsh conditions, they could contaminate astromaterials. This could confound searches for extraterrestrial life. Whole genome sequencing (WGS) is widely used for identifying bacterial strains and tracking their source; however, WGS is expensive and time consuming. Matrix-assisted laser desorption ionization– time of flight mass spectrometry (MALDI-TOF) shows promise as a low-cost, rapid method of identifying strains of bacteria, but few studies have compared this proteomics method to WGS. To evaluate a high throughput method of tracking the source of contamination of this built environment, WGS and MALDI-TOF was conducted on 18 bacterial strains isolated from surfaces in astromaterials cleanrooms. WGS identified 14 Bacillus, 2 Paenibacillus, 1 Solibacillus and 1 Alcaligenes strains. These isolates showed similarity to strains commonly observed in spacecraft assembly cleanrooms at other facilities. Cluster analysis of mass spectra generated by MALDI-TOF grouped strains together that were greater than 94% similar to each other in terms of amino acid sequences of single copy core genes, as assessed by WGS. This suggests that MALDI-TOF and WGS results are consistent with each other and MALDI-TOF can rapidly identify strains of Bacillus sp. isolated from cleanroom environments with a resolution comparable to WGS. Based on phylogenomic analysis, these results also suggest the presence of a cosmopolitan class of Bacillus sp. that are more likely to be found in cleanrooms and similar built environments than in natural systems.

Farnaz Mazhari↗

DOE OSTI2024

Morphology of poly-3-hexyl-thiophene blends with styrene–isoprene–styrene block-copolymer elastomers from X-ray and neutron scattering

The nano- and micron scale morphology of poly(3-hexylthiophene) (P3HT) and polystyrene-block-polyisoprene-block-polystyrene (PS–PI–PS) elastomeric blends is investigated through the use of ultra-small and small angle X-ray and neutron scattering (USAXS, SAXS, SANS). It is demonstrated that loading P3HT into elastomer matrices is possible with little distortion of the elastomeric structure up to a loading of ~5 wt%. Increased loadings of conjugated polymer is found to significantly distort the matrix structure. Changes in processing conditions are also found to affect the blend morphology with especially strong dependence on processing temperature. Processing temperatures above the glass transition temperature (T g ) of polystyrene and the melting temperature (T m ) of the conjugated polymer additive (P3HT) creates significantly more organized mesophase domains. P3HT blends with PS–PI–PS can also be flow-aligned through processing, which results in an anisotropic structure that could be useful for the generation of anisotropic properties (e.g. conductivity). Moreover, the extent of flow alignment is significantly affected by the P3HT loading in the PS–PI–PS matrix. The work adds insight to the morphological understanding of a complex P3HT and PS–PI–PS polymer blend as conjugated polymer is added to the system. Here, we also provide studies isolating the effect of processing changes aiding in the understanding of the structural changes in this elastomeric conjugated polymer blend.

36 MATERIALS SCIENCE↗