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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 757 records · Page 42

Enhanced 2.7 μm emission from Er{sup 3+} doped oxyfluoride tellurite glasses for a diode-pump mid-infrared laser

The influence of fluoride and shielding gas (O{sub 2} or Ar) on the physical and spectroscopic properties of Er{sup 3+} doped TeO{sub 2}-ZnO-ZnF{sub 2} glass system is investigated. The larger electronegativity of F than O accounts for the gradual decrease of refractive index, density, and J-O parameters with increasing ZnF{sub 2}. An analysis on Fourier transform infrared transmission spectra reveals that the absorption coefficient of OH{sup −} around 3 μm as low as 0.247 cm{sup −1} can be achieved when 30 mol% ZnF{sub 2} containing sample is treated with Ar gas during glass melting process. The reduction of OH{sup −} groups combined with the low multiphonon relaxation rate (207 s{sup −1}) contributes to the enhanced emissions at 1.5 and 2.7 μm, along with prolonged lifetimes of {sup 4}I{sub 11/2} and {sup 4}I{sub 13/2} levels. A high branching ratio (17.95%) corresponding to the Er{sup 3+}: {sup 4}I{sub 11/2} → {sup 4}I{sub 13/2} transition, the large absorption and emission cross section (0.44 × 10{sup −20} cm{sup 2} and 0.45 × 10{sup −20} cm{sup 2}), and good gain cross section demonstrate that oxyfluoride tellurite glass could be a promising material for a diode-pump 2.7 μm fiber laser.

36 MATERIALS SCIENCE↗

Patterning via optical-saturable transformations: A review and simple simulation model

Most of the nanoscale fabrication in the semiconductor industry is based on patterning with scanning-electron beam lithography (SEBL). Although this approach is very versatile and has very high resolution, it is intrinsically a serial writing process, and therefore, relatively slow. Our group has been investigating alternative nano-fabrication techniques, adapted from ideas of saturating optical transitions such as those used in stimulated emission-depletion microscopy and related methods, and optical interference lithography. Linewidths and resolutions on the scale of a few tens of nanometers and below are highly desirable for various applications in nanotechnology. However, the spatial resolution of optical lithography is restricted by diffraction. In the past, we developed absorbance modulation to overcome this limit. This approach utilizes photochromic molecules that can be optically switched between two thermally stable states, one opaque and the other transparent. However, absorbance modulation is limited to surface (2-D) patterning. Here, we report on an alternative approach that exploits unique combinations of spectrally selective reversible and irreversible photochemical transitions to achieve deep subwavelength resolution with potential extension to 3-dimensions. This approach, which we refer to as patterning via optical-saturable transformations have the potential for massive parallelism, enabling the creation of nanostructures and devices at a speed far surpassing what is possible with SEBL. The aim of our research is to translate the success in circumventing Abbe's diffraction limit in optical microscopy to optical lithography.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Material coherence from trajectories via Burau eigenanalysis of braids

In this paper, we provide a numerical tool to study a material’s coherence from a set of 2D Lagrangian trajectories sampling a dynamical system, i.e., from the motion of passive tracers. We show that eigenvectors of the Burau representation of a topological braid derived from the trajectories have levelsets corresponding to components of the Nielsen–Thurston decomposition of the dynamical system. One can thus detect and identify clusters of space–time trajectories corresponding to coherent regions of the dynamical system by solving an eigenvalue problem. Unlike previous methods, the scalable computational complexity of our braid-based approach allows the analysis of large amounts of trajectories.

36 MATERIALS SCIENCE↗

Diamond surface functionalization via visible light–driven C–H activation for nanoscale quantum sensing

Nitrogen-vacancy (NV) centers in diamond are a promising platform for nanoscale NMR sensing. Despite significant progress toward using NV centers to detect and localize nuclear spins down to the single spin level, NV-based spectroscopy of individual, intact, arbitrary target molecules remains elusive. Such sensing requires that target molecules are immobilized within nanometers of NV centers with long spin coherence. The inert nature of diamond typically requires harsh functionalization techniques such as thermal annealing or plasma processing, limiting the scope of functional groups that can be attached to the surface. Solution-phase chemical methods can be readily generalized to install diverse functional groups, but they have not been widely explored for single-crystal diamond surfaces. Moreover, realizing shallow NV centers with long spin coherence times requires highly ordered single-crystal surfaces, and solution-phase functionalization has not yet been shown with such demanding conditions. In this work, we report a versatile strategy to directly functionalize C–H bonds on single-crystal diamond surfaces under ambient conditions using visible light, forming C–F, C–Cl, C–S, and C–N bonds at the surface. This method is compatible with NV centers within 10 nm of the surface with spin coherence times comparable to the state of the art. As a proof-of-principle demonstration, we use shallow ensembles of NV centers to detect nuclear spins from surface-bound functional groups. Our approach to surface functionalization opens the door to deploying NV centers as a tool for chemical sensing and single-molecule spectroscopy.

Science & Technology - Other Topics↗

Polycomb repressive complex 2 in an autoinhibited state

Polycomb-group proteins control many fundamental biological processes, such as anatomical development in mammals and vernalization in plants. Polycomb repressive complex 2 (PRC2) is responsible for methylation of histone H3 lysine 27 (H3K27), and trimethylated H3K27 (H3K27me3) is implicated in epigenetic gene silencing. Recent genomic, biochemical, and structural data indicate that PRC2 is broadly conserved from yeast to human in many aspects. Here, we determined the crystal structure of an apo-PRC2 from the fungus Chaetomium thermophilum captured in a bona fide autoinhibited state, which represents a novel conformation of PRC2 associated with enzyme regulation in light of the basal and stimulated states that we reported previously. We found that binding by the cofactor S-adenosylmethionine mitigates this autoinhibited structural state. Using steady-state enzyme kinetics, we also demonstrated that disrupting the autoinhibition results in a vastly activated enzyme complex. Autoinhibition provides a novel structural platform that may enable control of PRC2 activity in response to diverse transcriptional states and chromatin contexts and set a ground state to allow PRC2 activation by other cellular mechanisms as well.

59 BASIC BIOLOGICAL SCIENCES↗

Efficiency of fermionic quantum distillation

Here, we present a time-dependent density-matrix renormalization group investigation of the quantum distillation process within the Fermi-Hubbard model on a quasi-one-dimensional ladder geometry. The term distillation refers to the dynamical, spatial separation of singlons and doublons in the sudden expansion of interacting particles in an optical lattice, i.e., the release of a cloud of atoms from a trapping potential. Remarkably, quantum distillation can lead to a contraction of the doublon cloud, resulting in an increased density of the doublons in the core region compared to the initial state. As a main result, we show that this phenomenon is not limited to chains that were previously studied. Interestingly, there are additional dynamical processes on the two-leg ladder such as density oscillations and self-trapping of defects that lead to a less efficient distillation process. An investigation of the time evolution starting from product states provides an explanation for this behavior. Initial product states are also considered since in optical lattice experiments, such states are often used as the initial setup. We propose configurations that lead to a fast and efficient quantum distillation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Bayesian Optimization of a Free-Electron Laser

The Linac Coherent Light Source X-ray free-electron laser is a complex scienti c apparatus which changes con gurations multiple times per day, necessitating fast tuning strategies to reduce setup time for successive experiments. To this end, we employ a Bayesian approach to maximizing X- ray laser pulse energy by controlling groups of quadrupole magnets. A Gaussian process model provides probabilistic predictions for the machine response with respect to control parameters, enabling a balance of exploration and exploitation in the search for the global optimum. We show that the model parameters can be learned from archived scans, and correlations between devices can be extracted from the beam transport. Furthermore, the result is a sample-e cient optimization routine, combining both historical data and knowledge of accelerator physics to signi cantly outperform existing optimizers.

47 OTHER INSTRUMENTATION↗

Identification of key steps in the evolution of anaerobic methanotrophy in Candidatus Methanovorans (ANME-3) archaea

Despite their large environmental impact and multiple independent emergences, the processes leading to the evolution of anaerobic methanotrophic archaea (ANME) remain unclear. This work uses comparative metagenomics of a recently evolved but understudied ANME group, “Candidatus Methanovorans” (ANME-3), to identify evolutionary processes and innovations at work in ANME, which may be obscured in earlier evolved lineages. We identified horizontal transfer of hdrA homologs and convergent evolution in carbon and energy metabolic genes as potential early steps in Methanovorans evolution. We also identified the erosion of genes required for methylotrophic methanogenesis along with horizontal acquisition of multiheme cytochromes and other loci uniquely associated with ANME. The assembly and comparative analysis of multiple Methanovorans genomes offers important functional context for understanding the niche-defining metabolic differences between methane-oxidizing ANME and their methanogen relatives. Furthermore, this work illustrates the multiple evolutionary modes at play in the transition to a globally important metabolic niche.

59 BASIC BIOLOGICAL SCIENCES↗

Auger spectroscopy beyond the ultra-short core-hole relaxation time approximation

Abstract We present a time-dependent computational approach to study Auger electron spectroscopy (AES) beyond the ultra-short core-hole relaxation time approximation and, as a test case, we apply it to the paradigmatic example of a one-dimensional Mott insulator represented by a half-filled Hubbard chain. The Auger spectrum is usually calculated by assuming that, after the creation of a core-hole, the system thermalizes almost instantaneously. This leads to a relatively simple analytical expression that uses the ground-state with a core-hole as a reference state and ignores all the transient dynamics related to the screening of the core-hole. In this picture, the response of the system can be associated to the pair spectral function. On the other hand, in our numerical calculations, the core hole is created by a light pulse, allowing one to study the transient dynamics of the system in terms of the pulse duration and in the non-perturbative regime. Time-dependent density matrix renormalization group calculations reveal that the relaxation process involves the creation of a polarization cloud of doublon excitations that have an effect similar to photo-doping. As a consequence, there is a leak of spectral weight to higher energies into what otherwise would be the Mott gap. For longer pulses, these excited states, mostly comprised of doublons, can dominate the spectrum. By changing the duration of the light-pulse, the entire screening process can be resolved in time.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Production-Ready CsPbBr3 Module Fabrication

The purpose of this SBIR was to work on evaluation, development, and testing of CsPbBr3 semiconductors for use in commercial gamma-ray detection. The overarching goal was to demonstrate the capability to fabricate functional detectors through resources available to H3D, Inc in pursuit of an alternative to CdZnTe for room-temperature semiconductor detectors. Throughout the project, CdZnTe crystals from Redlen were used as a control group to demonstrate whether the fabrication processes could produce reasonable results. The CdZnTe crystals were diced into roughly 6 mm x 6 mm x 4.5 mm pieces and electrodes were evaporated onto planar faces. In one case, pixels were patterned through a laser ablation method; in the other, a rudimentary pixel shadow-mask was fabricated, and the pixels were generated in the evaporation process. A 16 mm x 16 mm x 14 mm CsPbBr3 crystal was diced into four smaller crystals. These CsPbBr3 had electrodes applied in a similar way to the CdZnTe samples with a rudimentary mask used for pixels on the cathode. Tested CdZnTe pieces were found to generally function with reasonable, low-energy performance. CsPbBr3 crystals were found to be non-functional under forward bias with a large dark-current. A separate attempt, using reverse bias in a non-H3D, Inc test system, observed a dark current similar to previous observations, and some active pixels but no waveforms were observed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

One fold, many functions—M23 family of peptidoglycan hydrolases

Bacterial cell walls are the guards of cell integrity. They are composed of peptidoglycan that provides rigidity to sustain internal turgor and ensures isolation from the external environment. In addition, they harbor the enzymatic machinery to secure cell wall modulations needed throughout the bacterial lifespan. The main players in this process are peptidoglycan hydrolases, a large group of enzymes with diverse specificities and different mechanisms of action. They are commonly, but not exclusively, found in prokaryotes. Although in most cases, these enzymes share the same molecular function, namely peptidoglycan hydrolysis, they are leveraged to perform a variety of physiological roles. A well-investigated family of peptidoglycan hydrolases is M23 peptidases, which display a very conserved fold, but their spectrum of lytic action is broad and includes both Gram- positive and Gram- negative bacteria. In this review, we summarize the structural, biochemical, and functional studies concerning the M23 family of peptidases based on literature and complement this knowledge by performing large-scale analyses of available protein sequences. This review has led us to gain new insight into the role of surface charge in the activity of this group of enzymes. We present relevant conclusions drawn from the analysis of available structures and indicate the main structural features that play a crucial role in specificity determination and mechanisms of latency. Our work systematizes the knowledge of the M23 family enzymes in the context of their unique antimicrobial potential against drug-resistant pathogens and presents possibilities to modulate and engineer their features to develop perfect antibacterial weapons.

Razew, Alicja↗

THE 6 μ m FEATURE AS A TRACER OF ALIPHATIC COMPONENTS OF INTERSTELLAR CARBONACEOUS GRAINS

An unidentified infrared emission (UIE) feature at 6.0 μ m is detected in a number of astronomical sources showing the UIE bands. In contrast to the previous suggestion that this band is due to C=O vibrational modes, we suggest that the 6.0 μ m feature arises from olefinic double-bond functional groups. These groups are likely to be attached to aromatic rings, which are responsible for the major UIE bands. The possibility that the formation of these functional groups is related to the hydrogenation process is discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

Petrographic and crystallographic study of silicate minerals in lunar rocks

Optical U-stage measurements, chemical microprobe data, and X-ray procession photographs of a bytownite twin group from rock 12032,44 are compared. Sharp but weak b and no c-reflections were observed for this An89 bytownite indicating a partly disordered structure. Euler angles, used to characterize the orientation of the optical indicatrix, compare better with values for plutonic than for volcanic plagioclase. This indicates that structural and optical properties cannot be directly correlated.

Carmichael, I. S. E.↗

Treatment of CELSS and PCELSS waste to produce nutrients for plant growth

The research program entitled 'Development of a Prototype Experiment for Treating CELSS (Controlled Ecological Life Support Systems) and PCELSS (Partially Controlled Ecological Life Support Systems) Wastes to Produce Nutrients for Plant Growth' consists of two phases: (1) the development of the neccessary facilities, chemical methodologies and models for meaningful experimentation, and (2) the application of what methods and devices are developed to the interfacing of waste oxidation with plant growth. Homogeneous samples of freeze-dried human feces and urine have been prepared to ensure comparability of test results between CELSS waste treatment research groups. A model of PCELSS food processing wastes has been developed, and an automated gas chromatographic system to analyze oxidizer effluents was designed and brought to operational status. Attention is given the component configuration of the wet oxidation system used by the studies.

Modell, M.↗

Manufacturing and producibility technology

Activities of the manufacturing/producibility working group within the Advanced High-Pressure O2/H2 Technology Program are summarized. The objectives of the M/P working group are: to develop and evaluate process and manufacturing techniques for advanced propulsion hardware design and selected materials; and to optimize the producibility of (SSME) components and assemblies by improved performance, increased life, greater reliability, and/or reduced cost. The technologies being developed include: plasma arc, laser, and inertia welding; combustion chamber and turbine blade coatings; coating processes; high performance alloy electroforming; and process control technology.

Hankins, J. D.↗

JPL reuse program

The goal of the JPL reuse activity is to develop a quantitative understanding of the factors which encourage or inhibit software reuse, and of productivity improvements achievable through reuse. The primary activity is the measurement of parameters relevant to reuse in the environment of actual projects. The program has three objectives: (1) to develop a model to allow assessment of competing reuse techniques, (2) to extend reuse from the unit to the sub-system level, and (3) to expand from specific applications to a broader application domain. Application domains, which apply to all interplanetary projects, include Mission Operations, Science Information Systems, Flight Software, and Simulations. The program is targeting all phases and activities of the life cycle and a full range of software products. The approach will be both experimental (observe, hypothesize and evaluate) and constructive (introduce new tools and techniques). The primary target projects are Deep Space Network activities - the Ground Facilities facility upgrade, the Network Operations Control Center upgrade, and the Signal Processing Center. This is the first group of closely related projects being done in Ada at JPL. A reuse base will be developed initially by classifying potentially reusable components from one project; it will be used and expanded with additional projects.

Brown, James W.↗

A distinct variant of high-titanium mare basalt from the Van Serg core, Apollo 17 landing site

A fragment of basalt picked from the drive tube collected at Van Serg crater at the Apollo 17 landing site has a bulk chemistry more primitive than that of other high-titanium mare basalt groups collected at the site. The sample has a fine-grained olivine phyric, subophitic texture that is distinct from that of other high-titanium basalt samples. The grain size and texture suggest that the sample has a composition close to that of a magma. The crystallization sequence, with appearance of oxide minerals later than in other groups, and other petrographic features such as more-calcic plagioclase and early pigeonite rather than augite, are consistent with this sample representing a distinct variant of Apollo 17 high-titanium basalts. It is not related through closed-system igneous processes to any of the other mare basalt groups identified among Apollo 17 samples. Its characters emphasize the complexity of contemporaneous magma processes on the moon and the heterogeneity of that part of the mantle that was melted.

Ryder, Graham↗