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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Pumping potential wells

Nonmonotonic plasma potential structures are a common feature of many double layers and sheaths. Steady state plasma potential wells separating regions having different plasma potentials are often found in laboratory experiments. In order to exist, such structures all must find a solution to a common problem. Ions created by charge exchange or ionization in the region of the potential well are electrostatically confined and tend to accumulate and fill up the potential well. The increase in positive charge should eliminate the well. Nevertheless, steady state structures are found in which the wells do not fill up. This means that it is important to take into account processes which 'pump' ions from the well. As examples of ion pumping of plasma wells, potential dips in front of a positively biased electro collecting anode in a relatively cold, low density multidipole plasma is considered. Pumping is provided by ion leaks from the edges of the potential dip or by oscillating the applied potential. In the former case the two dimensional character of the problem is shown to be important.

Hershkowitz, N.↗
DOE OSTI2020

Molecular growth upon ionization of van der Waals clusters containing HCCH and HCN is a pathway to prebiotic molecules

The growth mechanisms of organic molecules in an ionizing environment such as the interstellar medium are not completely understood. Here we examine by means of ab initio molecular dynamics (AIMD) simulations and density functional theory (DFT) computations the possibility of bond formation and molecular growth upon ionization of van der Waals clusters of pure HCN clusters, and mixed clusters of HCN and HCCH, both of which are widespread in the interstellar medium. Ionization of van der Waals clusters can potentially lead to growth in low temperature and low-density environments. Our results show, that upon ionization of the pure HCN clusters, strongly bound stable structures are formed that contain N∙∙∙H bonds, and growth beyond pairwise HCN molecules is seen only in a small percentage of cases. In contrast, mixed clusters, where HCCH is preferentially ionized over HCN, can grow up to 3 or 4 units long with new carbon–carbon and carbon–nitrogen covalent bonds. Moreover, cyclic molecules formed, such as the radical cation of pyridine, which is a prebiotic molecule. The results presented here are significant as they provide a feasible pathway for molecular growth of small organic molecules containing both carbon and nitrogen in cold and relatively denser environments such as in dense molecular clouds but closer to the photo-dissociation regions, and protoplanetary disks. In the mechanism we propose, first, a neutral van der Waals cluster is formed. Once the cluster is formed it can undergo photoionization which leads to chemical reactivity without any reaction barrier.

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

Understanding the chemical bonding of ground and excited states of HfO and HfB with correlated wavefunction theory and density functional approximations

Knowledge of the chemical bonding of HfO and HfB ground and low-lying electronic states provides essential insights into a range of catalysts and materials that contain Hf–O or Hf–B moieties. Here, we carry out high-level multi-reference configuration interaction theory and coupled cluster quantum chemical calculations on these systems. We compute full potential energy curves, excitation energies, ionization energies, electronic configurations, and spectroscopic parameters with large quadruple-ζ and quintuple-ζ quality correlation consistent basis sets. We also investigate equilibrium chemical bonding patterns and effects of correlating core electrons on property predictions. Differences in the ground state electron configuration of HfB(X 4 Σ - ) and HfO(X 1 Σ + ) lead to a significantly stronger bond in HfO than HfB, as judged by both dissociation energies and equilibrium bond distances. We extend our analysis to the chemical bonding patterns of the isovalent HfX (X = O, S, Se, Te, and Po) series and observe similar trends. We also note a linear trend between the decreasing value of the dissociation energy (D e ) from HfO to HfPo and the singlet–triplet energy gap (ΔE S–T ) of the molecule. Finally, we compare these benchmark results to those obtained using density functional theory (DFT) with 23 exchange–correlation functionals spanning multiple rungs of “Jacob’s ladder.” When comparing DFT errors to coupled cluster reference values on dissociation energies, excitation energies, and ionization energies of HfB and HfO, we observe semi-local generalized gradient approximations to significantly outperform more complex and high-cost functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

Analysis of complex-type chromosome exchanges in astronauts' lymphocytes after space flight as a biomarker of high-LET exposure

High-LET radiation is more efficient in producing complex-type chromosome exchanges than sparsely ionizing radiation, and this can potentially be used as a biomarker of radiation quality. To investigate if complex chromosome exchanges are induced by the high-LET component of space radiation exposure, damage was assessed in astronauts' blood lymphocytes before and after long duration missions of 3-4 months. The frequency of simple translocations increased significantly for most of the crewmembers studied. However, there were few complex exchanges detected and only one crewmember had a significant increase after flight. It has been suggested that the yield of complex chromosome damage could be underestimated when analyzing metaphase cells collected at one time point after irradiation, and analysis of chemically-induced PCC may be more accurate since problems with complicated cell-cycle delays are avoided. However, in this case the yields of chromosome damage were similar for metaphase and PCC analysis of astronauts' lymphocytes. It appears that the use of complex-type exchanges as biomarker of radiation quality in vivo after low-dose chronic exposure in mixed radiation fields is hampered by statistical uncertainties.

manned↗
NASA NTRS2008

Nanoflow Separation of Amino Acids for the Analysis of Cosmic Dust

The delivery of amino acids to the early Earth by interplanetary dust particles, comets, and carbonaceous meteorites could have been a significant source of the early Earth's prebiotic organic inventory. Amino acids are central to modern terrestrial biochemistry as major components of proteins and enzymes and were probably vital in the origin of life. A variety of amino acids have been detected in the CM carbonaceous meteorite Murchison, many of which are exceptionally rare in the terrestrial biosphere including a-aminoisobutyric acid (AIB) and isovaline. AIB has also been detected in a small percentage of Antarctic micrometeorite grains believed to be related to the CM meteorites We report on progress in optimizing a nanoflow liquid chromatography separation system with dual detection via laser-induced-fluorescence time of flight mass spectrometry (nLC-LIF/ToF-MS) for the analysis of o-phthaldialdehydelN-acetyl-L-cysteine (OPA/NAC) labeled amino acids in cosmic dust grains. The very low flow rates (<3 micro-L/min) of nLC over analytical LC (>0.1 ml/min) combined with <2 micron column bead sizes has the potential to produce efficient analyte ionizations andchromatograms with very sharp peaks; both increase sensitivity. The combination of the selectivity (only primary amines are derivatized), sensitivity (>4 orders of magnitude lower than traditional GC-MS techniques), and specificity (compounds identities are determined by both retention time and exact mass) makes this a compelling technique. However, the development of an analytical method to achieve separation of compounds as structurally similar as amino acid monomers and produce the sharp peaks required for maximum sensitivity is challenging.

Martin, M. P.↗
NASA NTRS2005

Communications Blackout Predictions for Atmospheric Entry of Mars Science Laboratory

The Mars Science Laboratory (MSL) is expected to be a long-range, long-duration science laboratory rover on the Martian surface. MSL will provide a significant milestone that paves the way for future landed missions to Mars. NASA is studying options to launch MSL as early as 2009. There are three elements to the spacecraft; carrier (cruise stage), entry vehicle, and rover. The rover will have a UHF proximity link as the primary path for EDL communications and may have an X-band direct-to-Earth link as a back-up. Given the importance of collecting critical event telemetry data during atmospheric entry, it is important to understand the ability of a signal link to be maintained, especially during the period near peak convective heating. The received telemetry during entry (or played back later) will allow for the performance of the Entry-Descent-Landing technologies to be assessed. These technologies include guided entry for precision landing, a new sky-crane landing system and powered descent. MSL will undergo an entry profile that may result in a potential communications blackout caused by ionized particles for short periods near peak heating. The vehicle will use UHF and possibly X-band during the entry phase. The purpose of this rep0rt is to quantify or bound the likelihood of any such blackout at UHF frequencies (401 MHz) and X-band frequencies (8.4 GHz). Two entry trajectory scenarios were evaluated: a stressful entry trajectory to quantify an upper-bound for any possible blackout period, and a nominal trajectory to quantify likelihood of blackout for such cases.

communications↗
NASA NTRS2005

Communications Blackout Predictions for Atmospheric Entry of Mars Science Laboratory

The Mars Science Laboratory (MSL) is expected to be a long-range, long-duration science laboratory rover on the Martian surface. MSL will provide a significant milestone that paves the way for future landed missions to Mars. NASA is studying options to launch MSL as early as 2009. MSL will be the first mission to demonstrate the new technology of 'smart landers', which include precision landing and hazard avoidance in order to -land at scientifically interesting sites that would otherwise be unreachable. There are three elements to the spacecraft; carrier (cruise stage), entry vehicle, and rover. The rover will have an X-band direct-to-Earth (DTE) link as well as a UHF proximity link. There is also a possibility of an X-band proximity link. Given the importance of collecting critical event telemetry data during atmospheric entry, it is important to understand the ability of a signal link to be maintained, especially during the period near peak convective heating. The received telemetry during entry (or played back later) will allow for the performance of the Entry-Descent-Landing technologies to be assessed. These technologies include guided entry for precision landing, hazard avoidance, a new sky-crane landing system and powered descent. MSL will undergo an entry profile that may result in a potential communications blackout caused by ionized plasma for short periods near peak heating. The vehicle will use UHF and possibly X-band during the entry phase. The purpose of this report is to quantify or bound the likelihood of any such blackout at UHF frequencies (401 MHz) and X-band frequencies (8.4 GHz). Two entry trajectory scenarios were evaluated: a stressful entry trajectory to quantify an upper-bound for any possible blackout period, and a nominal likely trajectory to quantify likelihood of blackout for such cases.

UHF↗
DOE OSTI2025

On the functional dependence of transition-potential coupled cluster

Orbital relaxation of the core region is a primary source of error in the computation of core ionization and core excitation energies. Recently, Transition-Potential Coupled Cluster (TP-CC) methods have been used to explicitly treat orbital relaxation using non-variational molecular orbitals determined by reoccupation of orbitals optimized for a fractional core occupation. The amount of fractional occupation is governed by parameter λ, and recommended values for accurate TP-CCSD and XTP-CCSD computations of carbon, nitrogen, oxygen, and fluorine K edges were previously determined. Herein, we explore the performance of several density functionals for generating the fractionally occupied orbitals used in TP-CCSD. These functionals include HF, BP86, BH&HLYP, B3LYP, M06-2X, and ωB97m-V. The fractionally occupied orbitals computed across the various functionals were subsequently employed as the initial orbitals for our TP-CCSD calculations of organic K-edge x-ray absorption and photoelectron spectra. Regardless of the functional used to generate the fractionally occupied orbitals, the TP-CCSD calculations yield accurate and comparable core ionization energies, core excitation energies, and oscillator strengths.

Coupled-cluster methods↗
DOE OSTI2024

Measurements of Penning-Malmberg trap patch potentials and associated performance degradation

Antiprotons created by laser ionization of antihydrogen are observed to rapidly escape the ALPHA trap. Further, positron plasmas heat more quickly after the trap is illuminated by laser light for several hours. These phenomena can be caused by patch potentials—variations in the electrical potential along metal surfaces. A simple model of the effects of patch potentials explains the particle loss, and an experimental technique using trapped electrons is developed for measuring the electric field produced by the patch potentials. The model is validated by controlled experiments and simulations. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1995

(abstract) Production and Levitation of Free Drops of Liquid Helium

We are interested in the nucleation and behavior of quantized vorticies and surface excitations in free drops of superfluid helium. We have constructed an apparatus to maintain liquid helium drops isolated from any material container in the Earth's gravitational field, and have investigated two techniques for generating and introducing liquid drops into the region of confinement. The levitation apparatus utilizes the electrostatic force acting upon a charged liquid drop to counteract the gravitational force, with drop position stability provided by a static magnetic field acting upon the helium diamagnetic moment. Electrically neutral superfluid drops have been produced with a miniature thermomechanical pump; for a given configuration the liquid initial velocity has been varied up to several centimeters per second. Liquid drops carrying either net positive or negative charge are produced by an electrode which generates a flow of ionized liquid from the bulk liquid surface. Potentials of less than one thousand volts to several thousand volts are required. The mass flow is controlled by varying duration of the ionizing voltage pulse; drops as small as 30 micrometers diameter, charged to near the Rayleigh limit, have been observed.

quantized vorticity levitation liquid helium↗
DOE OSTI2026

Accelerating Surface Radiation Content to Investigate the Impact of Radon Progeny on Superconducting Qubits

Ionizing radiation in the form of $α$, $β$, $γ$, and additional high-energy particles can induce decoherence via phonon and quasiparticle poisoning in superconducting qubits. Recent studies have explored this effect using cosmic rays or controlled radioactive sources held in the proximity of a qubit package, and have concluded that reductions in such ``external'' environmental radiation may benefit stable operation of qubit devices. However, the effect of long-lived, unstable daughters of $^{222}$Rn that ``plate out'' directly on device and packaging surfaces has not been as extensively explored. This plate-out process, well-known to the dark matter direct detection field, occurs throughout the fabrication and testing lifecycle of a device and (separately) its packaging, and produces a local source of $α$-decays which can remain active for decades. As this scales with chip area, understanding and managing this source of ionizing radiation is relevant for successfully scaling quantum computing architectures to larger numbers of qubits in a radiation-robust way. We present a setup capable of accelerating and enhancing radon daughter plateout by a factor of $7\times10^4$ over ambient, in order to study, \textit{in situ}, the impact of these events on superconducting qubits. We also provide outlook on the potential impact of this source of ionizing radiation on current and future qubit arrays.

Poudel, Sagar S. [South Dakota Sch. Mines Tech.]↗
DOE OSTI2024

Spectroscopic Measurements and Models of Energy Deposition in the Substrate of Quantum Circuits by Natural Ionizing Radiation

Naturally occurring background radiation is a potential source of correlated decoherence events in superconducting qubits that will challenge error-correction schemes. In order to characterize the radiation environment in an unshielded laboratory representative of superconducting qubits’ environments, we performed broadband, spectroscopic measurements of background radiation events inside a millikelvin refrigerator. The spectrometer was designed to mimic the size and composition of a quantum circuit. Specifically, we measured the background radiation spectra in silicon substrates of two thicknesses, 500 and 1500 µm, and one area, 25 mm 2 . The observed spectra span energies from a few kilo-electron-volts up to nearly 10 MeV, are nearly featureless, and decrease in intensity by a factor of 40 000 between 100 keV and 3 MeV for the 500-µm substrate. We integrate the spectra to obtain the average event rates and deposited power levels. These quantities correspond to a rate of 0.023 events per second and a power of 4.9 keV s -1 , when counting events that deposit at least 40 keV for the 500-µm-thick substrate. We find that the cryogenic measurements are in good agreement with predictions based on simple measurements of the terrestrial gamma-ray flux outside the refrigerator, published models of cosmic-ray fluxes, a crude model of the cryostat, and radiation-transport simulations. This model requires no free parameters to predict the background radiation spectra in the silicon substrates. The agreement between measurements and predictions demonstrates that the model we present can be used to assess the relative contributions of terrestrial and cosmic-ray sources to background radiation interactions in silicon substrates of varying thickness. These spectroscopic measurements are performed with a novel combination of superconducting microresonators located on micromachined silicon islands that define the interaction volume with background radiation. The resonators transduce deposited energy to a readily detectable electrical signal. Microresonator readout closely resembles dispersive superconducting qubit readout, so similar devices—with or without micromachined islands—are suitable for integration with superconducting quantum circuits as detectors for background radiation events. For our specific laboratory conditions, we find that gamma-ray emissions from radioisotopes are responsible for the majority of events that deposit E < 1 ⁢Me⁢V. We present results demonstrating that the background radiation spectrum contains relevant contributions from cosmic-ray particles other than muons, particularly a tail of multi-mega-electron-volt events due to protons and neutrons. These observations suggest several paths to reducing the impact of background radiation on quantum circuits, supported by an empirically validated model for generating reliable predictions of radiation interactions with silicon substrates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

A compact dication source for Ba 2+ tagging and heavy metal ion sensor development

Here, we present a tunable metal ion beam that delivers controllable ion currents in the picoamp range for testing of dry-phase ion sensors. Ion beams are formed by sequential atomic evaporation and single or multiple electron impact ionization, followed by acceleration into a sensing region. Controllability of the ionic charge state is achieved through tuning of electrode potentials that influence the retention time in the ionization region. Barium, lead, and cadmium samples have been used to test the system, with ion currents identified and quantified using a quadrupole mass analyzer. Realization of a clean Ba 2+ ion beam within a bench-top system represents an important technical advance toward the development and characterization of barium tagging systems for neutrinoless double beta decay searches in xenon gas. This system also provides a testbed for investigation of novel ion sensing methodologies for environmental assay applications, with dication beams of Pb 2+ and Cd 2+ also demonstrated for this purpose.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Coherence from multiorbital tunneling ionization of molecules

We present a simple and general coherence model for multiorbital tunnel ionization of molecules, which we incorporate into our previously developed density-matrix approach for sequential double ionization. Here, the influence of this coherence is investigated through simulations of single ionization and sequential double ionization of N 2 and O 2 using few-cycle near-infrared laser pulses. In the case of single ionization, our results reveal the crucial role played by this coherence in generating population inversion in N 2 + , suggesting a potential mechanism for air lasing. Regarding sequential double ionization, we observe only minor changes in the kinetic energy release spectra when the coherence is included, while noticeable differences in the angle-dependent dication yield for both N 2 and O 2 are found. Based on these findings, we recommend the inclusion of multiorbital tunnel ionization coherence in models for single ionization of general molecules, while suggesting that it can be safely neglected in the case of sequential double ionization.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1978

The collisional interaction of a beam of charged particles with a hydrogen target of arbitrary ionization level

The classical theory of scattering under the Coulomb potential of both charged and neutral particles is used to derive formulae for the energy deposition rate and mean scattering of a beam of charged particles interacting with a cold hydrogen target of arbitrary ionization level as a function of the column density traversed by the beam. These general results hold for any form of stable injection energy spectrum, and their relevance to the existing literature on chromospheric heating during solar flares is discussed.

Emslie, A. G.↗
DOE OSTI2026

A cryogenic muon tagging system based on kinetic inductance detectors for superconducting quantum processors

Ionizing radiation has emerged as a potential limiting factor for superconducting quantum processors, inducing quasiparticle bursts and correlated errors that challenge fault-tolerant operation. Atmospheric muons are particularly problematic due to their high energy and penetration power, making passive shielding ineffective. Therefore, monitoring the real-time muon flux is crucial to guide the development of alternative error-correction or mitigation strategies. We present the design, simulation, and first operation of a cryogenic muon-tagging system based on kinetic inductance detectors (KIDs), developed as a stand-alone cryogenic particle-tagging module for superconducting quantum processors. The system consists of two KIDs arranged in a vertical stack and operated at ∼20 mK. Monte Carlo simulations based on Geant4 guided the prototype design and provided reference expectations for muon-tagging efficiency and accidental coincidences due to ambient γ-rays. We observed a muon-induced coincidence rate among the top and bottom detectors of (192 ± 9) $\times\,10^{-3}$ events s$^{−1}$, in excellent agreement with the Monte Carlo prediction. The prototype achieves a muon-tagging efficiency of about 90% with negligible dead time. These results demonstrate the feasibility of operating a muon-tagging system at millikelvin temperatures and represent a key step toward the integration of cryogenic veto systems with multi-qubit chips to mitigate muon-induced errors.

Mariani, Ambra [INFN, Rome] (ORCID:000000028184857↗