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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2016

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Vibrational spectroscopic, structural and nonlinear optical activity studies on 2-amino-3-chloro-5-trifluoromethyl pyridine: A DFT approach

The conformational analysis was carried out for 2-amino-3-chloro-5-trifluoromethylpyridine using potential energy surface (PES) scan and the most stable optimized conformer was predicted. The theoretical vibrational frequencies were calculated for the optimized geometry using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program package. The Mulliken atomic charge values were calculated. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intermolecular charge transfer studies and the calculation of ionization energy, electron affinity, global hardness, chemical potential, electrophilicity index and softness of the molecule were carried out. The nonlinear optical (NLO) activity was studied and the first order hyperpolarizability value was computed, which was 3.48 times greater than the urea. The natural bond orbital analysis was also performed to confirm the NLO activity of the molecule. Hence, the ACTP molecule is a promising candidate for NLO materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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↗
DOE OSTI2022

Temperature dependence of band shifts induced by impurity ionization in ZrTe 5

We report the topological phase transition in ZrTe 5 remains a challenge for its sensitivity to the structural parameters and carrier densities. One important issue is that the temperature dependence of the band shifts has been reported controversially. Using angle-resolved photoemission spectroscopy, we study the temperature evolution of the band structures of ZrTe 5 with samples prepared by chemical vapor transport and flux methods. We find two distinct types of band shift with temperature, one monotonically moving downward to high binding energies with the increase of temperature and another one moving downward first and then reversely upward. By assuming ZrTe 5 is a semiconductor with a limited amount of impurities, we analyze the temperature-induced ionization of the impurities and chemical potential shift to interpret the discrepant experimental observations. In this scenario, the discrepancies in band structures and the controversial results on temperature-dependent band shifts can be reconciled in a unified picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Effect of an electric field on liquid helium scintillation produced by fast electrons

The dependence on applied electric field (0–40 kV/cm) of the scintillation light produced by fast electrons and α particles stopped in liquid helium in the temperature range of 0.44 K to 3.12 K is reported. For both types of particles, the reduction in the intensity of the scintillation signal due to the applied field exhibits an apparent temperature dependence. Using an approximate solution of the Debye-Smoluchowski equation, we show that the apparent temperature dependence for electrons can be explained by the time required for geminate pairs to recombine relative to the detector signal integration time. This finding indicates that the spatial distribution of secondary electrons with respect to their geminate partners possesses a heavy, non-Gaussian tail at larger separations and has a dependence on the energy of the primary ionization electron. Here, we discuss the potential application of this result to pulse shape analysis for particle detection and discrimination.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Study for material analogs of FeSb 2 : Material design for thermoelectric materials

Using the ab initio evolutionary algorithm (implemented in uspex) and electronic structure calculations we investigate the properties of a new thermoelectric material FeSbAs, which is a material analog of the enigmatic thermoelectric FeSb 2 . We utilize the density functional theory and the Gutzwiller method to check the energetics. We find that FeSbAs can be made thermodynamically stable above ~ 30 GPa. We investigate the electronic structure and thermoelectric properties of FeSbAs based on the density functional theory and compare with those of FeSb 2 . Above 50 K, FeSbAs has higher Seebeck coefficients than FeSb 2 . Upon doping, the figure of merit becomes larger for FeSbAs than for FeSb 2 . Another material analog FeSbP, was also investigated, and found thermodynamically unstable even at very high pressure. Regarding FeSb 2 as a member of a family of compounds (FeSb 2 , FeSbAs, and FeSbP) we elucidate what are the chemical handles that control the gaps in this series. Here, we also investigate solubility (As or P for Sb in FeSb 2 ) we found As to be more soluble. Finally, we study a two-band model for thermoelectric properties and find that the temperature dependent chemical potential and the presence of the ionized impurities are important to explain the extremum in the Seebeck coefficient exhibited in experiments for FeSb 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

Electron mobility in modulation-doped heterostructures

A model for electron mobility in a two-dimensional electron gas confined in a triangular well was developed. All major scattering processes (deformation potential and piezoelectric acoustic, polar optical, ionized impurity, and alloy disorder) were included, as well as intrasubband and intersubband scattering. The model is applied to two types of modulation-doped heterostructures, namely GaAs-GaAlAs and In(0.53)Ga(0.47)As-Al(0.52)In(0.48)As. In the former case, phonons and remote ionized impurities ultimately limit the mobility, whereas in the latter, alloy disorder is a predominant scattering process at low temperatures. The calculated mobilities are in very good agreement with recently reported experimental characteristics for both GaAs-Ga(1-x)Al(x)As and In(0.53)Ga(0.47)As-Al(0.52)In(0.48)As modulation-doped heterostructures.

Walukiewicz, W.↗
NASA NTRS1989

Ground-based tests of hollow cathode plasma contactors

Experimental results are presented which describe operation of and the plasma environment associated with a hollow cathode-based plasma contactor collecting electrons from an ambient, low density Maxwellian plasma when the boundary between the contactor and the ambient plasma is nearly hemispherical. Basic physical features of the process of electron collection identified on the basis of these results include a double-sheath across which a substantial potential difference can develop and substantial ionization of neutral gas coming from the cathode by the electrons being collected. Experimental results obtained when the diameter of the anode is too small to yield a hemispherical double-sheath are shown to induce distortion of this sheath but it is argued that the same basic phenomena are still active in this case. Data obtained in these experiments should serve to validate numerical models of this process that are being developed to predict plasma contactor performance in space. Preliminary performance and plasma property results measured on a contactor emitting electrons are examined and some physical elements of this process are identified.

Williams, John D.↗
NASA NTRS2000

Plume and Discharge Plasma Measurements of an NSTAR-type Ion Thruster

The success of the NASA Deep Space I spacecraft has demonstrated that ion propulsion is a viable option for deep space science missions. More aggressive missions such as Comet Nuclear Sample Return and Europa lander will require higher power, higher propellant throughput and longer thruster lifetime than the NASA Solar Electric Propulsion Technology Application Readiness (NSTAR) engine. Presented here are thruster plume and discharge plasma measurements of an NSTAR-type thruster operated from 0.5 kW to 5 kW. From Faraday plume sweeps, beam divergence was determined. From Langmuir probe plume measurements on centerline, low energy ion production on axis due to charge-exchange and direct ionization was assessed. Additionally, plume plasma potential measurements made on axis were used to determine the upper energy limits at which ions created on centerline could be radially accelerated. Wall probes flush-mounted to the thruster discharge chamber anode were used to assess plasma conditions. Langmuir probe measurements at the wall indicated significant differences in the electron temperature in the cylindrical and conical sections of the discharge chamber.

Foster, John E↗
NASA NTRS2000

Plume and Discharge Plasma Measurements of an NSTAR-type Ion Thruster

The success of the NASA Deep Space 1 spacecraft has demonstrated that ion propulsion is a viable option for deep space science missions. More aggressive missions such as Comet Nuclear Sample Return and Europa lander will require higher power, higher propellant throughput and longer thruster lifetime than the NASA Solar Electric Propulsion Technology Application Readiness (NSTAR) engine. Presented here are thruster plume and discharge plasma measurements of an NSTAR-type thruster operated from 0.5 kW to 5 kW. From Faraday plume sweeps, beam divergence was determined. From Langmuir probe plume measurements on centerline, low energy ion production on axis due to charge-exchange and direct ionization was assessed. Additionally, plume plasma potential measurements made on axis were used to determine the upper energy limits at which ions created on centerline could be radially accelerated. Wall probes flush-mounted to the thruster discharge chamber anode were used to assess plasma conditions. Langmuir probe measurements at the wall indicated significant differences in the electron temperature in the cylindrical and conical sections of the discharge chamber.

Foster, John E.↗
NASA NTRS2014

Analysis of Inter-Moss Loops in the Solar Region with IRIS and SDO AIA: Automatic Event Detection and Characterization

The Interface Region Imaging Spectrograph (IRIS), launched in the summer of 2013, is designed specifically to observe and investigate the transition region and adjacent layers of the solar atmosphere, obtaining images in high spatial, temporal, and spectral resolution. Our particular work is focused on the evolution of inter-moss loops, which have been detected in the lower corona by the Atmospheric Imaging Assembly (AIA) and the High-Resolution Coronal Imager (Hi- C), but are known to have foot points below the transition region. With the high-resolution capabilities of IRIS and its Si IV pass band, which measures activity in the upper chromosphere, we can study these magnetic loops in detail and compare their characteristic length and time scales to those obtained from several AIA image sets, particularly the 171, 193, and 211 pass bands. By comparing the results between these four data sets, one can potentially establish a measure of the ionization equilibrium for the location in question. To explore this idea, we found a large, sit-and-stare observation within the IRIS database that fit our specifications. This data set contained a number of well-defined inter-moss loops (by visual inspection) with a cadence less than or equal to that of AIA (approximately 12 seconds). This particular data set was recorded on October 23, 2013 at 07:09:30, lasting for 3219 seconds with a field of view of 120.6 by 128.1 arcseconds, centered on -53.9 by 59.1 arcseconds from disk center. For ease of comparison, the AIA data has been interpolated to match the IRIS cadence and resolution. In the main portion of the poster, we demonstrate the detection of events, the information collected, and the immediate results to the right, showing the progress of an event with green as the start, blue as the peak, and red as the end. Below here, we demonstrate how pixels are combined to form groups. The 3D results are shown to the right.

event detection↗
NASA NTRS2016

Analysis of Inter-Moss Loops in the Solar Region with IRIS and SDO AIA: Automatic Event Detection and Characterization

The Interface Region Imaging Spectrograph (IRIS), launched in the summer of 2013, is designed specifically to observe and investigate the transition region and adjacent layers of the solar atmosphere, obtaining images in high spatial, temporal, and spectral resolution. Our particular work is focused on the evolution of inter-moss loops, which have been detected in the lower corona by the Atmospheric Imaging Assembly (AIA) and the High-Resolution Coronal Imager (Hi- C), but are known to have foot points below the transition region. With the high-resolution capabilities of IRIS and its Si IV pass band, which measures activity in the upper chromosphere, we can study these magnetic loops in detail and compare their characteristic length and time scales to those obtained from several AIA image sets, particularly the 171, 193, and 211 pass bands. By comparing the results between these four data sets, one can potentially establish a measure of the ionization equilibrium for the location in question. To explore this idea, we found a large, sit-and-stare observation within the IRIS database that fit our specifications. This data set contained a number of well-defined inter-moss loops (by visual inspection) with a cadence less than or equal to that of AIA (approximately 12 seconds). This particular data set was recorded on October 23, 2013 at 07:09:30, lasting for 3219 seconds with a field of view of 120.6 by 128.1 arcseconds, centered on -53.9 by 59.1 arcseconds from disk center. For ease of comparison, the AIA data has been interpolated to match the IRIS cadence and resolution. In the main portion of the poster, we demonstrate the detection of events, the information collected, and the immediate results to the right, showing the progress of an event with green as the start, blue as the peak, and red as the end. Below here, we demonstrate how pixels are combined to form groups. The 3D results are shown to the right

IRIS↗
NASA NTRS2017

Simulated Space Environment Effects on a Candidate Solar Sail Material

For long duration missions of solar sails, the sail material needs to survive harsh space environments and the degradation of the sail material controls operational lifetime. Therefore, understanding the effects of the space environment on the sail membrane is essential for mission success. In this study, we investigated the effect of simulated space environment effects of ionizing radiation, thermal aging and simulated potential damage on mechanical, thermal and optical properties of a commercial off the shelf (COTS) polyester solar sail membrane to assess the degradation mechanisms on a feasible solar sail. The solar sail membrane was exposed to high energy electrons (about 70 keV and 10 nA/cm2), and the physical properties were characterized. After about 8.3 Grad dose, the tensile modulus, tensile strength and failure strain of the sail membrane decreased by about 20 ~ 95%. The aluminum reflective layer was damaged and partially delaminated but it did not show any significant change in solar absorbance or thermal emittance. The effect on mechanical properties of a pre-cracked sample, simulating potential impact damage of the sail membrane, as well as thermal aging effects on metallized PEN (polyethylene naphthalate) film will be discussed.

Kang, Jin Ho↗