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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Massive low surface brightness galaxies

A multi-wavelength study of an extreme type of galaxy which will assist us in our attempts to understand the formation and evolution of galaxies was completed. In particular, a subset of low surface brightness (bar-mu(sub B) is approximately greater than 25 mag arcsec(sup -2)), giant galaxies (LSBG's) which contain large amounts of atomic gas (M(HI) is approximately greater than 10(exp 10) solar mass), have blue optical diameters similar to those of giant spiral galaxies, but which do not seem to have prodigious amounts of ongoing star formation were observed. Our sample was drawn from the first and second Palomar Sky Surveys. This population of galaxies has been largely ignored because of selection effects which make it difficult to detect optically. The question of how these massive systems differ from the higher surface brightness 'normal' spiral galaxies is addressed. Using B and R surface photometry, in conjunction with H-alpha, HI, CO-12, and far-infrared data, an attempt is made to determine if these galaxies had an early epoch of star formation that has since faded, have ongoing star formation with an unusual interplanetary magnetic field (IMF), or are perhaps galaxies which have never efficiently formed stars due to a lack of molecular clouds.

Knezek, Patricia M.↗
DOE OSTI2024

Diamond under extremes

Diamond is, by virtue of the covalent bonding between atoms and the very strong carbon to carbon bonds, the hardest natural material. It has been a fascinating material since its discovery, first as a decorative gem and more recently, for its numerous industrial uses because of its extreme hardness, elastic modulus, and optical transparency. In recent years, it has become a preferred ablator for laser shock experiments, and this has led to its choice as the capsule material for fusion experiments at the National Ignition Facility. Further, this review covers both experimental and computational (including machine learning) advancements in research on diamond subjected extreme conditions of temperature and pressure. The synergy between shock and ramp loading experiments and atomic level simulations is proving to be powerful in advancing our understanding of diamond under extremes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Implementing a Laser Stabilization System for Trapping Ca+ Ions: an Internship Reflection

At Lawrence Livermore National Laboratory, I contributed to a project developing 3D printed micro ion traps for quantum computing. I designed, implemented, and assessed a laser stabilization system that locked lasers to the frequencies required for calibrating our High Finesse WS8-10 wavelength meter and for laser cooling and trapping of Ca+ ions. I also programmed a Python interface for hardware communication, data collection, and statistical analysis. Additionally, I optimized and aligned laser beam paths, and I implemented a closed digital feedback loop using Proportional, Integral, and Derivative (PID) control parameters. I analyzed both the long-term and short-term behavior of our locked lasers and adjusted PID parameters to enhance performance. Furthermore, I used COMSOL to simulate the capacitance of a linear Paul trap design and predict our trap’s performance. The procedures I developed for the interface, analysis, and simulations will continue to support the ion trapping experiment after my appointment. I strengthened my skills in data analysis, Python coding, and optical alignment for laser systems. My confidence as a researcher grew, particularly in communicating my research. This experience taught me the importance of careful planning and consideration in research and solidified my desire to continue exploring novel quantum technology as an undergraduate

42 ENGINEERING↗
NASA NTRS1993

Variability of (O I) 6300-A emission near Io

Observations of (O I) 6300-A emission near Io have been obtained in 1990, 1991, and 1992 by the National Solar Observatory staff using the solar-stellar spectrography on the McMath-Pierce telescope at Kitt Peak. High-resolution spectra with a resolving power of about 1.2 x 10(exp 5) were obtained with an integration time of 10-15 min each. The viewing aperture for the observations was 5.2 arc sec x 5.2 arc sec centered on Io, with spatial resolution limited within this area by seeing conditions. Observations thus far have been reduced to obtain average brightness values over the aperture which range from approximately 200 to 1000 R for a number of different Io phase angles and Io system III longitudes. The (O I) 6300-A emission brightness exhibits an east-west asymmetry, where the average intensity for Io phase angles in the west (receding ansa) is 1.5 times brighter than in the east (approaching ansa). Similar east-west intensity ratios have also been observed for neutrals near Io and ions in the plasma torus for a number of other optical and ultraviolet emission lines which are excited by electron impact. In addition to the east-west asymmetry, the (O I) 6300-A emission brightness exhibits a strong dependence on the Io system III longitude angle, with a maximum value occurring in the range 200 deg +/- 50 deg. Earlier IUE observations of ultraviolet emission lines of O and S near Io obtained over a number of years have measured the east-west asymmetry, but the long IUE integration times of approximately 7-14 hours masked any detection of system III variability. For the (O I) 6300-A emission, the O(1D) state may be excited by electron impact of atomic oxygen and by electron impact dissociation of SO. The molecule SO may be present at the exobase or may be produced above the exobase as the dominant product of SO2 dissociation by electron impact. Preliminary assessment indicates that production of O(1D) by molecular dissociation may be more important. The (O I) 6300-A emission may therefore provide a remote signature for monitoring (1) the upward transport rates of molecular species in Io's atmosphere, (2) the relative abundance and time-variable dissociation of SO2 and/or SO at the exobase and in the corona of Io, and (3) the spatial distribution of these escaping molecular and atomic species and their ion production rates in the planetary magnetosphere.

Scherb, F.↗
DOE OSTI2023

Tantalum oxide and nitride spectral features from a laser-produced plasma

Here, we report measurements of time-resolved Ta, TaO and TaN emission spectroscopic signatures from a laser-produced plasma. Plasmas were generated using 1064 nm, 6 ns pulses from an Nd:YAG laser focused onto a pure Ta metal target in a gaseous environment with varying percentages of O 2 /N 2 for controlling gas-phase oxidation/plasma chemistry. Time-resolved analysis showed that Ta oxide emission is prominent at later times in plasma evolution, whereas strong atomic emission is present at early times in air. Emission spectral features as a function of O 2 partial pressure showed that TaO emission intensity increases, while the peak intensity of TaO appears earlier with increasing O 2 availability. We also report emission spectra of TaN, and show that plasma chemistry favors TaO formation instead of TaN when O 2 is present in the environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Platinum nanoparticle compression: Combining in situ TEM and atomistic modeling

The mechanical behavior of nanoparticles governs their performance and stability in many applications. However, the small sizes of technologically relevant nanoparticles, with diameters in the range of 10 nm or less, significantly complicate experimental examination. These small nanoparticles are difficult to manipulate onto commercial test platforms and deform at loads that are below the typical noise floor of the testing instruments. Here, we synthesized small platinum nanoparticles directly onto a mechanical tester and used a modified nanomanipulator to enhance load resolution to the nanonewton scale. We demonstrated the in situ compression of an 11.5-nm platinum nanoparticle with simultaneous high-resolution measurements of load and particle morphology. Molecular dynamics simulations were performed on similarly sized particles to achieve complementary measurements of load and morphology, along with atomic resolution of dislocations. The experimental and simulation results revealed comparable values for the critical resolved shear stress for failure, 1.28 and 1.15 GPa, respectively. Altogether, this investigation demonstrated the promise of, and some initial results from, the combination of atomistic simulations and in situ experiments with an unprecedented combination of high spatial resolution and high load resolution to understand the behavior of metal nanoparticles under compression.

42 ENGINEERING↗
DOE OSTI2024

Radiation transfer in the spectra of short-pulse laser-heated targets

The conditions in laser-produced plasmas are frequently determined with x-ray spectroscopy by comparing calculated to measured spectra. Line spectra from K-shell transitions of low- to mid-atomic number elements are most often used since the important physical processes are well understood and reliable spectra can be readily measured and calculated. Radiation transfer effects due to large optical depths of strong lines can influence the spectra. In this work, the effects of radiation transfer on the emission spectra of short-laser pulse-heated targets are studied. The possible errors made in inferring electron temperature by not including radiation transfer are quantified. The inclusion of radiative transfer in spectral calculations improves the accuracy of typical temperature diagnostics and allows the use of strong lines for diagnostics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Evolution of Electronic Properties of Graphene Nanoribbons with Progressive Carving: From Straight to Porous to Chevron Ribbons

Graphene nanoribbons (GNRs) are highly versatile materials due to their unique electronic, magnetic, and optical properties, which can be precisely tuned by controlling their width, edge structure, and topology. Here, we report the on-surface synthesis and characterization of a straight N = 15 armchair GNR with periodic annulene nanopores (15-pGNR). It serves as a structural link between two well-established GNRs: the pristine N = 15 armchair GNR without pores (15-AGNR) and the chevron GNR (cGNR). With the addition of the 15-pGNR reported in this study, these three GNRs form a rare experimentally accessible series of ribbons, in which the evolution of electronic properties can be tracked upon progressive carving of a basic 15-AGNR: first, by creating periodic nanopores to form 15-pGNR and then by extending the pore area and producing meandering cGNR. We have designed a molecular precursor for the 15-pGNR and grown the nanoribbons on single-crystal gold substrates by on-surface synthesis in ultra-high vacuum (UHV) conditions. The atomically precise structure of 15-pGNR was confirmed by scanning tunneling microscopy (STM) and non-contact atomic force microscopy (nc-AFM). The band gap of 15-pGNR was studied by scanning tunneling spectroscopy (STS) and dI/dV mapping, and the occupied electronic levels were investigated by angle-resolved photoemission spectroscopy (ARPES). A theoretical and experimental comparison of 15-pGNRs, 15-AGNRs, and cGNRs demonstrates that the introduction of periodic nanopores into 15-AGNR leads to a more than 2-fold increase in its band gap. In contrast, the band gaps of 15-pGNR and cGNR differ only by about 15%. Such band gap increase can be qualitatively understood to arise from two combined effects, the periodic perforation of the graphene lattice and the confinement effect induced by the GNR width.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Thermal Neutron Scattering Cross Sections for Graphitic Amorphous Carbon

Carbon materials are commonly found in both nuclear reactors and experimental systems. Various carbon structures occur in nuclear applications ranging from crystalline and nuclear graphite to the amorphous carbon seen in next-generation advanced reactor designs. Amorphous carbon is based on a randomized graphite-like structure and offers the unique ability to disperse impurities throughout the bulk composition. A graphite-like amorphous carbon system was modeled using the classical molecular dynamics (MD) code LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). An improved version of the temperature-dependent Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used to model the carbon-carbon atomic interactions for the temperature at 300 K along with densities 1.60, 1.70, 1.85, and 2.23 g/cm 3 . From the normalized velocity autocorrelation function (VACF), the phonon density of state (DOS) was then calculated as the Fourier transform of the normalized VACF. This DOS was then used as the primary input for the evaluation of the thermal scattering law (TSL, i.e. S(α,β)) and associated neutron thermal scattering cross sections. The TSL was analyzed using the Full Law Analysis Scattering System Hub (FLASSH). The amorphous structure results in shifts of the phonon DOS to lower energy modes than typically displayed for ideal crystalline graphite. This impact on the DOS is directly reflected in the TSL. Furthermore, the typical features and the optical graphitic peak at 0.25 eV for the ideal graphite DOS disappear for graphite-like amorphous carbon, which shows good agreement with the expected structure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

The Unexpected Role of Cations in the Self-Assembly of Positively Charged Amphiphiles at Liquid/Liquid Interfaces

Conventional wisdom suggests that cations play a minimal role in the assembly of cationic amphiphiles. Here, we show that at liquid/liquid (L/L) interfaces, specific cation effects can modulate the assemblies of hydrophobic tails in an oil phase despite being attached to cationic headgroups in the aqueous phase. In this work, we used oligo-dimethylsiloxane (ODMS) methyl imidazolium amphiphiles to identify these specific interactions at hexadecane/aqueous interfaces. Small cations, such as Li + , bind to the O atoms in the ODMS tail and pin it to the interface, thereby imposing a kinked conformation-as evidenced by vibrational sum frequency generation spectroscopy and molecular dynamics simulations. While larger Cs + ions more readily partition to the interface, they do not form analogous complexes. Our data not only point to ways for controlling amphiphile structure at L/L interfaces but also suggest a means for the separation of Li + , or related applications, in soft-matter electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Laser cooling of atoms at narrow optical transitions in fields with a polarisation gradient

The efficiency of the polarisation mechanisms of laser cooling of atoms is analysed using narrow optical transitions for which the recoil energy is greater than or comparable to the natural line width. By the example of atoms with the J{sub g} = 1 → J{sub e} = 2 optical transition (J{sub g} and J{sub e} are the total angular momenta of the ground and excited states) in the resonant light fields of σ{sub +} – σ{sub –} and lin⊥lin configurations, the analysis of the minimum achievable energies of laser-cooled atoms is performed. It is shown that the polarisation mechanisms of laser cooling under conditions of a significant influence of recoil effects become less efficient and do not lead to average kinetic energies of an ensemble of atoms below the Doppler limit. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Luminescence of Xe{sub 2}Cl{sup *} upon laser excitation of Cl{sub 2} – Xe mixtures in a wide pressure range

The luminescence of Xe{sub 2}Cl{sup *} excimer upon optical excitation of high-pressure Cl{sub 2} – Xe mixtures by XeCl laser pulses (λ = 308 nm) with different energies is investigated. It is shown that small-signal gain of the Xe{sub 2}Cl amplifier may reach ∼1.3 × 10{sup −1} cm{sup −1} in a mixture of Cl{sub 2} and Xe with partial pressures of 4 Torr and 9 atm, respectively, and an excitation fluence of 10{sup 26} photons cm{sup −2} s{sup −1}. (active media)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Multi-species temperature and number density analysis of a laser-produced plasma using dual-comb spectroscopy

Dual-comb spectroscopy (DCS) represents a novel method of using absorption spectroscopy as a diagnostic tool for multispecies analysis of excitation temperatures and column densities in laser-produced plasmas (LPPs). DCS was performed on a LPP generated by ablating a multielement alloy containing Nd, Gd, and Fe. Transitions from all three elements were observed in absorption spectra measured from 530.08 to 535.19 nm at seven time-delays from 31 to 250 μs after ablation. The spectra were fit using a nonlinear regression algorithm to determine peak areas, and excitation temperatures and column densities were determined for the three atomic species separately using Boltzmann plots. The measured excitation temperatures of Nd I and Gd I showed good agreement at all time-delays, whereas the Fe I temperature was found to be higher, and the ratios between the column densities varied with delay. The observations are understood via effects of LPP spatial averaging, elemental fractionation, and molecular formation and are compared and contextualized with previous work studying LPPs using other spectroscopic techniques. A brief discussion of the precision and accuracy of the determined excitation temperatures and column densities is also presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Hybrid Quantum Networks with Discrete Polarizations and Continuous Quadrature Variables

Final Scientific/Technical Report for DOE Project DE-SC0022069. Quantum communication and computation systems have evolved along two largely independent paradigms: discrete-variable (DV) systems that encode information in qubits such as photon polarizations or photon-number states, and continuous-variable (CV) systems that encode information in optical field quadratures. Each approach offers distinct advantages—DVs provide low error rates and compatibility with single-photon platforms, while CVs support deterministic operations and efficient quantum state manipulation. A fundamental challenge for building a scalable Quantum Internet lies in interfacing these two regimes into a unified hybrid architecture that can coherently distribute and process quantum information across heterogeneous quantum nodes. This project aims to develop and demonstrate a hybrid optical quantum network that seamlessly integrates DV and CV systems. Specifically, we investigate a new class of hybrid entanglement between the discrete polarizations of single photons and the continuous quadrature variables of optical cat states, overcoming incompatibilities in existing DV–CV demonstrations. Using this new entanglement resource, the team investigates a multi-node hybrid quantum local area network (Q-LAN) testbed capable of DV–CV entanglement generation, swapping, and distribution across fiber links.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Trapping and detection of single rubidium atoms in an optical dipole trap using a long-focus objective lens

The trapping of single atoms in optical dipole traps is widely used in experiments on the implementation of quantum processors based on neutral atoms, and studying interatomic interactions. Typically, such experiments employ lenses with a large numerical aperture (NA > 0.5), highly sensitive EMCCD cameras, or photon counters. In this work, we demonstrate trapping and detection of single rubidium atoms using a long-focus objective lens with a numerical aperture NA = 0.172 and a FLir Tau CNV sCMOS camera. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Excited-state electronic structure of molecules using many-body Green’s functions: Quasiparticles and electron–hole excitations with VOTCA-XTP

Here, we present the open-source VOTCA-XTP software for the calculation of the excited-state electronic structure of molecules using many-body Green’s function theory in the GW approximation with the Bethe–Salpeter equation (BSE). This work provides a summary of the underlying theory and discusses the details of its implementation based on Gaussian orbitals, including resolution-of-identity techniques and different approaches to the frequency integration of the self-energy or acceleration by offloading compute-intensive matrix operations using graphics processing units in a hybrid OpenMP/Cuda scheme. A distinctive feature of VOTCA–XTP is the capability to couple the calculation of electronic excitations to a classical polarizable environment on an atomistic level in a coupled quantum- and molecular-mechanics (QM/MM) scheme, where a complex morphology can be imported from Molecular Dynamics simulations. The capabilities and limitations of the GW–BSE implementation are illustrated with two examples. First, we study the dependence of optically active electron–hole excitations in a series of diketopyrrolopyrrole-based oligomers on molecular-architecture modifications and the number of repeat units. Second, we use the GW–BSE/MM setup to investigate the effect of polarization on localized and intermolecular charge-transfer excited states in morphologies of low-donor content rubrene–fullerene mixtures. These showcases demonstrate that our implementation currently allows us to treat systems with up to 2500 basis functions on regular shared-memory workstations, providing accurate descriptions of quasiparticle and coupled electron–hole excited states of various characters on an equal footing.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Assessment of Hydroxyl Radical Reactivity in Sulfur-Containing Amino Acid Models Under Acidic pH

Methionine residues in proteins and peptides are frequently oxidized by losing one electron. The presence of nearby amide groups is crucial for this process, enabling methionine to participate in long-range electron transfer. Hydroxyl radical (HO•) plays an important role being generated in aerobic organisms by cellular metabolisms as well as by exogenous sources such as ionizing radiations. The reaction of HO• with methionine mainly affords the one-electron oxidation of the thioether moiety through two consecutive steps (HO• addition to the sulfur followed by HO− elimination). We recently investigated the reaction of HO• with model peptides mimicking methionine and its cysteine-methylated counterpart, i.e., CH3C(O)NHCHXC(O)NHCH3, where X = CH2CH2SCH3 or CH2SCH3 at pH 7. The reaction mechanism varied depending on the distance between the sulfur atom and the peptide backbone, but, for a better understanding of various suggested equilibria, the analysis of the flux of protons is required. We extended the previous study to the present work at pH 4 using pulse radiolysis techniques with conductivity and optical detection of transient species, as well as analysis of final products by LC-MS and high-resolution MS/MS following γ-radiolysis. Comparing all the data provided a better understanding of how the presence of nearby amide groups influences the one-electron oxidation mechanism.

Biochemistry & Molecular Biology↗
NASA NTRS1999

An Abundance Analysis of Two Carbon-Rich Proto-Planetary Nebulae: IRAS Z02229+6208 And IRAS 07430+1115

In this paper, we present an LTE abundance analysis of two new proto-planetary nebulae, IRAS Z02229 + 6208 and IRAS 07430 + 1115, based on high-resolution (R approximately equal 55,000) optical echelle spectra. Results show that both stars are metal-poor ([Fe/H] = -0.5) and overabundant in C, N, and s-process elements. The average elemental abundances are [C/Fe] = +0.8, [N/Fe] = +1.2, and [s-process/Fe] = +1.4 for IRAS Z02229 + 6208, and [C/Fe] = +0.6, [N/Fe] = +0.4, and [s-process/Fe] = +1.6 for IRAS 07430+ 1115. These abundances suggest that the stars have experienced nucleo-synthesis on the asymptotic giant branch (AGB), and the resultant products of CNO, 3alpha, and s-process reactions were brought to the photosphere during shell flashes and deep mixing episodes during the AGB phase of their evolution. Of major significance is the measurement of a high Li abundance in both stars, log epsilon(Li) approximately equal 2.3 and 2.4 for IRAS Z02229 + 6208 and IRAS 07430 + 1115, respectively. This may be the result of hot bottom burning, below the deep convective zone. We also present an analysis of the circumstellar molecular (C2 and CN) and atomic (Na I and K I) absorption spectra of both stars. We derive rotational temperatures, column densities, and envelope expansion velocities using molecular C2 Phillips and CN Red system bands. The values derived for expansion velocities, 8-14 km/s, are typical of the values found for post-AGB stars. IRAS 07430+ 1115 is unusual in that it shows P Cygni-shaped C2 emission profiles in the spectra of the circumstellar envelope. A minimum distance for IRAS Z02229+6208, determined from interstellar Na I lines, suggests that it is evolved from an intermediate-mass star. Including these two stars, the number of post-AGB stars for which clear C, N, and s-process elemental overabundances are found rises to eight. IRAS Z02229 + 6208 is known to possess the 21 micron emission feature in its mid-infrared spectrum; these results support the idea that all 21 micron emission stars are carbon-rich post-AGB stars.

Reddy, Bacham E.↗