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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

RECORD FAST CYCLING ACCELERATOR MAGNET BASED ON HIGH TEMPERATURE SUPERCONDUCTOR

We report on the High Temperature Superconductor (HTS) based prototype accelerator magnet capable to operate at 12 T/s B-field ramping rate with a very low supporting cryogenic cooling power thus indicating a feasibility of its application in the accelerator requiring high repetition rate and high average beam power. The magnet is designed to simultaneously accelerate two particle beams in the separate beam gaps energized by a single conductor. The design, construction and the power test of the prototype fast-cycling HTS based accelerator magnet is presented while the more detailed description and power test data analysis s given in [1]. As example, the measured cryogenic power loss limit is discussed in terms of the feasibility of application of such a magnet for the construction of the 8 GeV dual proton beam Booster.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Modelling of the laser amplification process with allowance for the effect of the temperature distribution in an Yb : YAG gain element on the thermophysical and lasing characteristics of the medium

A time-dependent three-dimensional model for the laser amplification process has been constructed with allowance for the effect of the temperature distribution on the thermophysical and lasing characteristics of gain media. We have performed numerical modelling of the laser amplification process in the gain elements of a two-stage subjoule-level cryogenic laser amplifier operating at a pulse repetition rate of up to 1 kHz. It has been shown that taking into account the temperature distribution is of critical importance in calculation of cryogenically cooled laser amplifiers pumped with high-power diodes. We have found optimal diode pump parameters at which the maximum achievable pulse energy at the amplifier output can reach 300 and 570 mJ at pulse repetition rates of 1000 and 500 Hz, respectively. (extreme light fields and their interaction with matter)

42 ENGINEERING↗
DOE OSTI2020

Shatter Thresholds and Fragment Size Distributions of Deuterium–Neon Mixture Cryogenic Pellets for Tokamak Thermal Mitigation

Reliable mitigation is necessary to eliminate the detrimental effects of a disruption event in large high-current tokamaks such as ITER. To avoid serious damage to plasma-facing components during the thermal quench phase of a disruption, material is injected to radiate the plasma energy over the inner surface of the machine. The most promising method of material injection is a process known as shattered pellet injection (SPI). SPI utilizes cryogenic cooling to desublimate gas into the barrel of a pipe gun to form a solid pellet. High-pressure gas or a mechanical punch is used to dislodge the pellet and accelerate it into a bent tube to intentionally fracture it. Pellets made of a mixture of deuterium and neon are likely candidates for thermal mitigation. The survivability of these pellets throughout their flight path, before striking the shatter tube, is essential for reliable SPI operation. Experiments were conducted to determine intact speed limits for various mixtures. In this paper, we outline the details of brittle fracture theory and compare a theory-based model to experimental results from various mixtures of deuterium and neon pellets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

GeMini: A High-Resolution, Low-Resource, Gamma-Ray Spectrometer for Planetary Science Applications

GeMini is a high-resolution gamma-ray spectrometer designed for planetary-science exploration. GeMini serves as the basis for instruments being flown on three upcoming deep-space missions: NASA’s mission to the M-class asteroid (16) Psyche, the Japan Aerospace Exploration Agency sample-return mission to the moons of Mars, and NASA’s Dragonfly mission that will land on Saturn’s largest moon, Titan. These science missions require high-resolution spectroscopy in a low-power, low-mass, rugged design that can survive in a variety of environments. GeMini addresses these needs by providing a cryogenically cooled crystal of high-purity germanium that can operate with as little as 10 to 20 watts, depending on the implementation and mission, and has a mass of less than 2 kg. GeMini helps determine the elemental composition of planetary bodies by measuring gamma rays emitted from the surface. This paper describes the mechanical, thermal, and electrical design of GeMini as well as its performance. Further, it describes testing that was performed to validate the design with respect to launch loads and radiation damage. Although the basic design of GeMini is common to all three missions, each planetary body has unique environmental conditions and mission specifications. This paper concludes by describing these upcoming missions and how GeMini is customized for each.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Pathways towards break even for low convergence ratio direct-drive inertial confinement fusion

Following indirect-drive experiments which demonstrated promising performance for low convergence ratios (below 17), previous direct-drive simulations identified a fusion-relevant regime which is expected to be robust to hydrodynamic instability growth. This paper expands these results with simulated implosions at lower energies of 100 and 270 kJ, and ‘hydrodynamic equivalent’ capsules which demonstrate comparable convergence ratio, implosion velocity and in-flight aspect ratio without the need for cryogenic cooling, which would allow the assumptions of one-dimensional-like performance to be tested on current facilities. A range of techniques to improve performance within this regime are then investigated, including the use of two-colour and deep ultraviolet laser pulses. Finally, further simulations demonstrate that the deposition of electron energy into the hotspot of a low convergence ratio implosion through auxiliary heating also leads to significant increases in yield. Results include break even for 1.1 MJ of total energy input (including an estimated 370 kJ of short-pulse laser energy to produce electron beams for the auxiliary heating), but are found to be highly dependent upon the efficiency with which electron beams can be created and transported to the hotspot to drive the heating mechanism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Hydrogen Analysis by Gas Chromatography–Mass Spectrometry

The detection of hydrogen in complex gas mixtures is essential for many applications. Conventional approaches such as gas chromatography (GC) with thermal conductivity detection (TCD) and residual gas analyzers (RGAs) face significant limitations: TCD exhibits poor response when helium is used as a carrier gas, whereas RGAs lack chromatographic separation, preventing reliable quantification of hydrogen because of interference from other species. Traditional GC methods rely on dual-column configurations with packed or molecular-sieve porous layer open tubular (PLOT) columns to separate hydrogen from O2, N2, CO, CO2, CH4, and other hydrocarbons, increasing system complexity and limiting compatibility with mass spectrometry (MS) detection. In this work, we developed and validated a robust GC–MS method capable of directly detecting and quantifying hydrogen using electron ionization (EI) without dopants, reagent gases, or ion–molecule reaction schemes. By integrating a modified EI source and a cryogenically cooled single capillary column configuration, we achieved baseline separation of hydrogen from all major permanent gases and hydrocarbons in a refinery gas mixture using helium as the carrier gas. The method demonstrated excellent linearity, high sensitivity, and exceptional reproducibility. Adjustable sample-loop volumes and split ratios enabled optimization of peak shape and signal-to-noise performance for trace-level and percent-level hydrogen concentrations. Beyond hydrogen quantitation, the method provides simultaneous compositional profiling of other gases in a mixture in a single run, making it valuable for a wide range of tasks.

Lobodin, Vlad [ORNL]↗
DOE OSTI2020

Isolating the Contributions of Specific Network Sites to the Diffuse Vibrational Spectrum of Interfacial Water with Isotopomer-Selective Spectroscopy of Cold Clusters

Decoding the structural information contained in the interfacial vibrational spectrum of water requires understanding how the spectral signatures of individual water molecules respond to their local hydrogen bonding environments. In this study, we isolated the contributions for the five classes of sites that differ according to the number of donor (D) and acceptor (A) hydrogen bonds that characterize each site. These patterns were measured by exploiting the unique properties of the water cluster cage structures formed in the gas phase upon hydration of a series of cations M+·(H2O)n (M = Li, Na, Cs, NH4, CH3NH3, H3O, and n = 5, 20-22). This selection of ions was chosen to systematically express the A, AD, AAD, ADD, and AADD hydrogen bonding motifs. The spectral signatures of each site were measured using two-color, IR-IR isotopomer-selective photofragmentation vibrational spectroscopy of the cryogenically cooled, mass selected cluster ions in which a single intact H2O is introduced without isotopic scrambling, an important advantage afforded by the cluster regime. The resulting patterns provide an unprecedented picture of the intrinsic line shapes and spectral complexities associated with excitation of the individual OH groups, as well as the correlation between the frequencies of the two OH groups on the same water molecule, as a function of network site. The properties of the surrounding water network that govern this frequency map are evaluated by dissecting electronic structure calculations that explore how changes in the nearby network structures, both within and beyond the first hydration shell, affect the local frequency of an OH oscillator. The qualitative trends are recovered with a simple model that correlates the OH frequency with the network-modulated local electron density in the center of the OH bond.

Yang, Nan↗
DOE OSTI2021

Anion Resonances and Photoelectron Spectroscopy of the Tetracenyl Anion

The photoelectron spectroscopy of the tetracenyl anion using slow electron velocity-map imaging (SEVI) of cryogenically cooled ions is presented here. The total photodetachment yield as a function of photon energy is used to reveal a rich manifold of anion excited states above the detachment threshold. The lowest energy anionic resonance has a sufficiently long lifetime to yield a vibrationally resolved absorption spectrum that can be directly compared with theoretical predictions. Excitation of this state mostly results in electron detachment via thermionic emission. The total photodetachment yield spectrum is used to select photon wavelengths that minimize the indirect detachment signal to allow acquisition of vibrationally-resolved photoelectron spectra that can inform on the neutral tetracenyl radical. Assignment of spectral features corresponding to the ground and first excited state of the neutral 12-tetracenyl isomer is made with the aid of Franck-Condon simulations. This yields adiabatic electron affinity and term energies that differ significantly from the previously reported values. Weak features corresponding to the ground state of the minor 2-teracenyl and 1-tetracenyl isomers are also identified, which allows for the experimental determination of their electron affinities for the first time.

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

Water Network Shape-Dependence of Local Interactions with the Microhydrated –NO 2 – and –CO 2 – Anionic Head Groups by Cold Ion Vibrational Spectroscopy

We report the structural evolutions of water networks and solvatochromic response of the CH 3 NO 2 – radical anion in the OH and CH stretching regions by analysis of the vibrational spectra displayed by cryogenically cooled CH 3 NO 2 – ·(H 2 O) n=1–6 clusters. The OH stretching bands evolve with a surprisingly large discontinuity at n = 6, which features the emergence of an intense, strongly red-shifted band along with a weaker feature that appears in the region assigned to a free OH fundamental. Very similar behavior is displayed by the perdeuterated carboxylate clusters, RCO 2 – ·(H 2 O) n=5–7 (R = CD 3 CD 2 ), indicating that this behavior is a general feature in the microhydration of the triatomic anionic domain and not associated with CH oscillators. Electronic structure calculations trace this behavior to the formation of a “book” isomer of the water hexamer that adopts a configuration in which one of the water molecules resides in an acceptor–acceptor–donor (AAD) (A = acceptor, D = donor) H-bonding site. Excitation of the bound OH in the AAD site explores the local network topology best suited to stabilize an incipient –XO 2 H–OH–(H 2 O) 2 intracluster proton-transfer reaction. These systems thus provide particularly clear examples where the network shape controls the potential energy landscape that governs water network-mediated, intracluster proton transfer. The CH stretching bands of the CH 3 NO 2 – ·(H 2 O) n=1–6 clusters also exhibit strong solvatochromic shifts, but in this case, they smoothly blue-shift with increasing hydration with no discontinuity at n = 6. Furthermore, this behavior is analyzed in the context of the solute-ion polarizability response and partial charge transfer to the water networks.

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

Conformational Changes Induced by Methyl Side-Chains in Protonated Tripeptides Containing Glycine and Alanine Residues

We present a systematic study of the conformational and isomeric populations in gas-phase protonated tripeptides containing glycine and alanine residues using infrared predissociation spectroscopy of cryogenically cooled ions. Specifically, the protonated forms of Gly-Gly-Gly, Ala-Gly-Gly, Gly-Ala-Gly, Gly-Gly-Ala, Ala-Ala-Gly, Ala-Gly-Ala, Gly-Ala-Ala, and Ala-Ala-Ala allow us to sample all permutations of the methyl side-chain position, providing a comprehensive view of the effects of this simple side-chain on the 3-D structure of the peptide. The individual structural populations for all but one of these peptide species are determined via conformer-specific IR–IR double-resonance spectroscopy and comparison with electronic structure predictions. The observed structures can be classified into three main families defined by the protonation site and the number of internal hydrogen bonds. The relative contribution of each structural family is highly dependent on the exact amino acid sequence of the tripeptide. Here, these observed changes in structural population can be rationalized in terms of the electron-donating effect of the methyl side-chain modulating the local proton affinities of the amine and various carbonyl groups in the tripeptide.

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

High Resolution Photoelectron Spectroscopy of the Acetyl Anion

High-resolution photoelectron spectra of cryogenically cooled acetyl anions (CH 3 CO - ) obtained using slow photoelectron velocity-map imaging are reported. The high resolution of the photoelectron spectrum yields a refined electron affinity of 0.4352 ± 0.0012 eV for the acetyl radical as well as the observation of a new vibronic structure that is assigned based on ab initio calculations. Three vibrational frequencies of the neutral radical are measured to be 1047 ± 3 cm -1 (ν 6 ), 834 ± 2 cm -1 (ν 7 ), and 471 ± 1 cm -1 (ν 8 ). Here this work represents the first experimental measurement of the ν 6 frequency of the neutral. The measured electron affinity is used to calculate a refined value of 1641.35 ± 0.42 kJ mol -1 for the gas-phase acidity of acetaldehyde. Analysis of the photoelectron angular distributions provides insight into the character of the highest occupied molecular orbital of the anion, revealing a molecular orbital with strong d-character. Additionally, details of a new centroiding algorithm based on finite differences, which has the potential to decrease data acquisition times by an order of magnitude at no cost to accuracy, are provided.

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

Synthesis of Narrow SnTe Nanowires Using Alloy Nanoparticles

Topological crystalline insulator tin telluride (SnTe) provides a rich playground to examine interactions of correlated electronic states, such as ferroelectricity, topological surface states, and superconductivity. The study of SnTe nanowires may lead to even richer physics owing to the one-dimensional (1D) confinement effect and an increased contribution from the topological surface states. Thus, for transport measurements, SnTe nanowires must be synthesized with reduced diameters and high crystalline quality to ensure 1D confinement and phase coherence of the topological surface electrons. Here, we report a facile growth method to produce narrow SnTe nanowires with a high yield using alloy nanoparticles as growth catalysts. The average diameter of the SnTe nanowires grown using alloy nanoparticles is 85 nm, nearly a factor of three reduction compared to the average diameter of 240 nm when using gold nanoparticles as growth catalysts. Transport measurements reveal the effect of the nanowire diameter on the residual resistance ratio and magnetoresistance. Particularly, the ferroelectric transition temperature for SnTe evolves systematically with the nanowire diameter. In situ cryogenic cooling of narrow SnTe nanowires in a transmission electron microscope directly reveals the cubic to rhombohedral structural transition, which is associated with the ferroelectric transition. Thus, these narrow SnTe nanowires represent a model system to study electronic states arising from 1D confinement, such as 1D topological superconductivity and potential multiband superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Observation of a Symmetry-Forbidden Excited Quadrupole-Bound State

In this paper, we report the observation of a symmetry-forbidden excited quadrupole-bound state (QBS) in the tetracyanobenzene anion (TCNB - ) using both photoelectron and photodetachment spectroscopies of cryogenically-cooled anions. The electron affinity of TCNB is accurately measured as 2.4695 eV. Photodetachment spectroscopy of TCNB - reveals selected symmetry-allowed vibronic transitions to the QBS, but the ground vibrational state was not observed because the transition from the ground state of TCNB - (A u symmetry) to the QBS (Ag symmetry) is triply-forbidden by the electric and magnetic dipoles, and the electric quadrupole. The binding energy of the QBS is found to be 0.2206 eV, which is unusually large due to strong correlation and polarization effects. A centrifugal barrier is observed for near-threshold autodetachment, as well as relaxations from the QBS vibronic levels to the ground and a valence excited state of TCNB - . The current study shows a rare example where symmetry selection rules, rather than the Franck-Condon principle, govern vibronic transitions to a non-valence state in an anion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Resonant two-photon photoelectron imaging and adiabatic detachment processes from bound vibrational levels of dipole-bound states

Anions cannot have Rydberg states, but anions with polar neutral cores can support highly diffuse dipole-bound states (DBSs) as a class of interesting electronically excited states below the electron detachment threshold. The binding energies of DBSs are extremely small, ranging from a few to few hundred wavenumbers and generally cannot support bound vibrational levels below the detachment threshold. Thus, vibrational excitations in the DBS are usually above the electron detachment threshold and they have been used to conduct resonant photoelectron spectroscopy, which is dominated by state-specific autodetachment. Here we report an investigation of a cryogenically-cooled complex anion, the enantiopure (R)-(–)-1-(9-anthryl)-2,2,2-trifluoroethanolate (R-TFAE–). The neutral R-TFAE radical is relatively complex and highly polar with a non-planar structure (C 1 symmetry). Photodetachment spectroscopy reveals a DBS 209 cm–1 below the detachment threshold of R-TFAE– and seven bound and eight above-threshold vibrational levels of the DBS. Resonant two-photon detachment (R2PD) via the bound vibrational levels of the DBS exhibits strictly adiabatic photodetachment behaviors by the second photon, in which the vibrational energies in the DBS are carried to the neutral final states, because of the parallel potential energy surfaces of the DBS and the corresponding neutral ground electronic state. Relaxation processes from the bound DBS levels to the ground and low-lying electronically excited states of R-TFAE– are also observed in the R2PD photoelectron spectra. Finally, the combination of photodetachment and resonant photoelectron spectroscopy yields frequencies for eight vibrational modes of the R-TFAE radical.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Probing the electronic structure and dipole-bound state of the 7-azaindolide anion

We report an investigation of the electronic structure and dipole-bound state (DBS) of the cryogenically-cooled 7-azaindolide anion (7-AI − ) using high-resolution photoelectron imaging, photodetachment spectroscopy, and resonant photoelectron spectroscopy. The electron affinity of the 7-AI radical is measured to be 2.6967(8) eV (21 751 ± 6 cm −1 ). Two excited electronic states of the neutral radical are observed at 0.8 eV and 1.4 eV above the ground state. Two minor isomers of 7-AI − due to deprotonation from the α- and β-carbon on the pyrrole ring are also detected with lower adiabatic detachment energies. A DBS is observed for the 7-AI − anion at 156 cm −1 below the detachment threshold, along with 16 vibrational Feshbach resonances. Resonant two-photon photoelectron imaging reveals that the DBS is relatively long-lived. Resonant photoelectron spectroscopy via the vibrational Feshbach resonances of the DBS gives rise to rich vibrational features for the 7-AI radical not accessible in conventional photoelectron spectroscopy. Fundamental vibrational frequencies for 16 vibrational modes of the 7-AI neutral radical are measured experimentally, including 7 bending modes. The current work provides extensive experimental electronic and vibrational information for the 7-AI − anion and the 7-AI radical.

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

Photodetachment spectroscopy and resonant photoelectron imaging of the 2-naphthoxide anion via dipole-bound excited states

We report a photodetachment spectroscopy and high-resolution resonant photoelectron imaging study of cryogenically-cooled 2-naphthoxide anions (C 10 H 7 O - ). The photodetachment spectrum revealed a dipole-bound state (DBS) 202(4) cm -1 below the detachment threshold and thirty-eight resonances corresponding to the vibrational levels of the DBS. By tuning the detachment laser to these above-threshold resonances, we obtained thirty-eight resonantly-enhanced photoelectron spectra, which were highly non-Franck-Condon as a result of mode-selective vibrational auto-detachment from the DBS. The resonances were assigned by comparing the resonant and non-resonant photoelectron spectra, assisted by the computed vibrational frequencies. Specifically, vibrational features with low Franck-Condon factors or from Franck-Condon-forbidden vibrational modes were significantly enhanced in the resonant photoelectron spectra, resulting in much richer spectroscopic information. The electron affinity of the 2-naphthoxy radical was measured accurately to be 19,387(4) cm -1 or 2.4037(5) eV. In addition, a total of seventeen vibrational frequencies were obtained for the 2-naphthoxy radical. In particular, seven Franck-Condon-forbidden out-of-plane bending modes, including the two lowest frequency modes (ν 48 at 102 cm -1 and ν47 at 171 cm -1 ), were observed, demonstrating the advantages of combining photodetachment spectroscopy and resonant photoelectron spectroscopy in obtaining vibrational information for polar radical species via DBS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Scaling laser preheat for MagLIF with the Z-Beamlet laser

Optimizing the performance of the Magnetized Liner Inertial Fusion (MagLIF) platform on the Z pulsed power facility requires coupling greater than 2 kJ of preheat energy to an underdense fuel in the presence of an applied axial magnetic field ranging from 10 to 30 T. Achieving the suggested optimal preheat energies has not been experimentally achieved so far. In this work, we explore the preheat design space for cryogenically cooled MagLIF targets, which represent a viable candidate for increasing preheat energies. Using 2D and 3D HYDRA MHD simulations, we first discuss the various physical effects that occur during laser preheat, such as laser energy deposition, self-focusing, and filamentation. After identifying the changes that different phase plates, gas-fill densities, and magnetic fields bring to the aforementioned physical effects, we, then, consider higher laser energies that are achievable with modest upgrades to the Z Beamlet laser. Lastly, with a 6.0-kJ upgraded laser, 3D calculations suggest that it is possible to deliver 4.25 kJ into the MagLIF fuel, resulting in an expected deuterium neutron yield of Y DD ≃ 1.5 × 10 14 , or roughly 50 kJ of DT equivalent yield, at 20-MA current drive. This represents a 10-fold increase in the currently achieved yields for MagLIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Electronic structure of NdO via slow photoelectron velocity-map imaging spectroscopy of NdO –

Electronically excited NdO is a possible product of the chemistry associated with the release of Nd into the ionosphere, and emission from these states may contribute to the observations following such experiments. To better characterize the energetics and spectroscopy of NdO, we report a combined experimental and theoretical study using slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled NdO – anions (cryo-SEVI) supplemented by wave function-based quantum-chemical calculations. Using cryo-SEVI, we measure the electron affinity of NdO to be 1.0091(7) eV and resolve numerous transitions to low-lying electronic and vibrational states of NdO that are assigned with the aid of the electronic structure calculations. Additionally, temperature-dependent data suggest contributions from the (2)4.5 state of NdO – residing 2350 cm –1 above the ground anion state. Finally, photodetachment to higher-lying excited states of NdO is also reported, which may help to clarify observations from prior release experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗