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All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

QPOs from Random X-ray Bursts around Rotating Black Holes

We continue our earlier studies of quasi-periodic oscillations (QPOs) in the power spectra of accreting, rapidly-rotating black holes that originate from the geometric 'light echoes' of X-ray flares occurring within the black hole ergosphere. Our present work extends our previous treatment to three-dimensional photon emission and orbits to allow for arbitrary latitudes in the positions of the distant observers and the X-ray sources in place of the mainly equatorial positions and photon orbits of the earlier consideration. Following the trajectories of a large number of photons we calculate the response functions of a given geometry and use them to produce model light curves which we subsequently analyze to compute their power spectra and autocorrelation functions. In the case of an optically-thin environment, relevant to advection-dominated accretion flows, we consistently find QPOs at frequencies of order of approximately kHz for stellar-mass black hole candidates while order of approximately mHz for typical active galactic nuclei (approximately equal to 10(exp 7) solar mass) for a wide range of viewing angles (30 degrees to 80 degrees) from X-ray sources predominantly concentrated toward the equator within the ergosphere. As in out previous treatment, here too, the QPO signal is produced by the frame-dragging of the photons by the rapidly-rotating black hole, which results in photon 'bunches' separated by constant time-lags, the result of multiple photon orbits around the hole. Our model predicts for various source/observer configurations the robust presence of a new class of QPOs, which is inevitably generic to curved spacetime structure in rotating black hole systems.

Kukumura, Keigo↗
NASA NTRS2024

Molecules in Cool Stars: The A 2 Π − X 2 Σ + and the B 2 Σ + − X 2 Σ + Band Systems of CaCl

Cool red giant stars exhibit absorption bands of calcium monochloride (CaCl) in the optical region. In this work, the bands of CaCl corresponding to the A 2 Π − X 2 Σ + transition with v' ≤ 4 and v'' ≤ 4, and B 2 Σ + − X 2 Σ + transition with v' ≤ 2 and v'' ≤ 2 are rotationally analyzed with PGOPHER, a multipurpose program for simulating and fitting molecular spectra. All bands were analyzed using high-resolution absorption spectra collected at the National Solar Observatory in 1985, calibrated with atomic lines from a high-resolution emission spectrum obtained in a separate hollow cathode experiment. The results are compared with previous laser-induced fluorescence measurements. Overall, the accuracy of spectroscopic constants for the A2Π and B2Σ+ states is improved. Scaled transition dipole moment calculations were used to obtain line strengths. Line lists are provided with Einstein A coefficients and oscillator strengths, which can be used to determine CaCl stellar abundances. Additionally, isotope splittings allowed us to estimate band origins for the 40 Ca 37 Cl isotopologue based on band-head positions.

Léo Lavy↗
DOE OSTI2020

Quasiparticle self-consistent $GW$ energy band calculations for $\mathrm{Ge_3N_4}$ phases

Quasiparticle self-consistent GW (G Green's function, W screened Coulomb interaction) band structure calculations are presented for the α, β, and γ phases of Ge 3 N 4 . The GW corrections to the gap are substantial and the gaps are found to be 3.85, 3.86, and 3.56 eV for α, β, γ respectively, at the experimental lattice constants. Only the β phase has a direct gap. The α and β phases, which are closely related to each other in crystal structure, are consequently also found to have rather similar band structures. Nonetheless, some significant differences are found near the valence band maximum, which are related to the different interlayer interactions in the c direction. In the cubic spinel phase, the conduction band minima of s and p character are found close to each other. Effective masses are calculated for the relevant valence and conduction band edges and for the cubic case analyzed in terms of the Kohn-Luttinger effective Hamiltonian. Finally, the optical response functions from direct interband transitions are calculated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Performance of Scintillation Detectors Based on Quantum Dots in a Semiconductor Matrix (Final Technical Report)

InAs Quantum Dots (QDs) embedded into GaAs semiconductor waveguide have unique scintillation properties, valuable for nuclear security, medical imaging, and high energy physics. In this work, we developed thick (~25um) epitaxial heterostructres with high luminescence efficiency composed of self-assembled nano-engineered InAs QDs grown by molecular beam epitaxy. In this type of detector, the GaAs matrix acts as a stopping material for charged particles or photons generating electrons captured by the QDs acting as luminescence centers. The QD medium is designed to provide fast capture of electrons into QDs (few ps), high QD luminescence efficiency at room temperature (>50%), and strong red-shift of photoluminescence (PL) from the GaAs absorption edge (>250nm). Typical devices consist of a 10-25um thick GaAs layer with embedded sheets of modulation p-type doped InAs QDs and an InGaAs photodetector tuned to the QD emission wavelength. The thick GaAs layer acts also as a waveguide when layer-transferred onto a low-index substrate. Waveguiding and self-absorption (~1cm -1 ) were studied using photoluminescence with scanning laser excitation and modeled with ray optics approximation and geometrical coupling of high-index waveguide to a collection fiber. Scintillating signals from α-particles were analyzed with both an external photodiode (PD) and an integrated PD which provided an improved optical coupling. In the former case, the external InGaAs PD was air-coupled to the scintillator and had the light collection efficiency of about 1% corresponding to limited light extraction through a planar interface with air due to total internal reflection. The mean charge collected by the integrated PD was in the range of (3÷5)×10 4 photoelectrons per 1 MeV of deposited energy, or ~13-20% of the theoretically achievable light yield. Timing of the integrated device was measured by wire-bonding it to the input of an 8 GHz IC. The scintillation response shows an extremely fast 0.3-0.6 ns decay constant and about 40-70 ps time resolution, limited by the system noise. The combined light yield and decay time makes the InAs/GaAs QD heterostructures the fastest high yield scintillation material reported making it valuable for high energy physics and medical imaging applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1984

Automatic holographic droplet analysis for liquid fuel sprays

The basic scheme for automated holographic analysis involves an optical system for reconstruction of the three dimensional real image of the droplet field, a spatial scanning system to transport a digitizing X-y image sensor through the real image, and processing algorithms for droplet recognition which establish the droplet sizes and positions. The hardware for system demonstrated includes the expanded and collimated beam from a 5 mW helium-neon laser for hologram reconstruction, an imaging lens for magnification of the real image field, and a video camera and digitizer providing 512-by-512 pixel resolution with 8-bit digitization. A mechanical stage is used to scan the hologram in three dimensional space, maintaining constant image magnification. A test droplet hologram is used for development and testing of the image processing algorithms.

Stanton, A. C.↗
NASA NTRS1991

Model of a thin film optical fiber fluorosensor

The efficiency of core-light injection from sources in the cladding of an optical fiber is modeled analytically by means of the exact field solution of a step-profile fiber. The analysis is based on the techniques by Marcuse (1988) in which the sources are treated as infinitesimal electric currents with random phase and orientation that excite radiation fields and bound modes. Expressions are developed based on an infinite cladding approximation which yield the power efficiency for a fiber coated with fluorescent sources in the core/cladding interface. Marcuse's results are confirmed for the case of a weakly guiding cylindrical fiber with fluorescent sources uniformly distributed in the cladding, and the power efficiency is shown to be practically constant for variable wavelengths and core radii. The most efficient fibers have the thin film located at the core/cladding boundary, and fibers with larger differences in the indices of refraction are shown to be the most efficient.

Egalon, Claudio O.↗
NASA NTRS2001

Analysis of the Performance Characteristics of the Five-Channel Microtops II Sun Photometer for Measuring Aerosol Optical Thickness and Precipitable Water Vapor

Five Microtops II sun photometers were studied in detail at the NASA Goddard Space Flight Center (GSFC) to determine their performance in measuring aerosol optical thickness (AOT or Tau(sub alphalambda) and precipitable column water vapor (W). Each derives Tau(sub alphalambda) from measured signals at four wavelengths lambda (340, 440, 675, and 870 nm), and W from the 936 nm signal measurements. Accuracy of Tau(sub alphalambda) and W determination depends on the reliability of the relevant channel calibration coefficient (V(sub 0)). Relative calibration by transfer of parameters from a more accurate sun photometer (such as the Mauna-Loa-calibrated AERONET master sun photometer at GSFC) is more reliable than Langley calibration performed at GSFC. It was found that the factory-determined value of the instrument constant for the 936 nm filter (k= 0.7847) used in the Microtops' internal algorithm is unrealistic, causing large errors in V(sub 0(936)), Tau(sub alpha936), and W. Thus, when applied for transfer calibration at GSFC, whereas the random variation of V(aub 0) at 340 to 870 nm is quite small, with coefficients of variation (CV) in the range of 0 to 2.4%, at 936 nm the CV goes up to 19%. Also, the systematic temporal variation of V(sub 0) at 340 to 870 nm is very slow, while at 936 nm it is large and exhibits a very high dependence on W. The algorithm also computes Tau(sub alpha936) as 0.91Tau(sub alpha870), which is highly simplistic. Therefore, it is recommended to determine Tau(sub alpha936) by logarithmic extrapolation from Tau(sub alpha675) and Tau(sub alpha 870. From the operational standpoint of the Microtops, apart from errors that may result from unperceived cloud contamination, the main sources of error include inaccurate pointing to the Sun, neglecting to clean the front quartz window, and neglecting to calibrate correctly. If these three issues are adequately taken care of, the Microtops can be quite accurate and stable, with root mean square (rms) differences between corresponding retrievals from clean calibrated Microtops and the AERONET sun photometer being about +/-0.02 at 340 nm, decreasing down to about +/-0.01 at 870 nm.

Ichoku, Charles↗
NASA NTRS1993

An Application of a New Electromagnetic Sensor to Real-Time Monitoring of Fatigue Crack Growth in Thin Metal Plates

A major part of fracture mechanics is concerned with studying the initiation and propagation of fatigue cracks. This typically requires constant monitoring of crack growth during fatigue cycles which necessitates automation of the whole process. If the rate of crack growth can be determined the experimenter can vary externally controlled parameters such as load level, load cycle frequency and so on. Hence, knowledge of the precise location of the crack tip at any given time is very valuable. One technique currently available for measuring fatigue crack length is the DC potential drop method. The method, however, may be inaccurate if the direction of crack growth deviates considerably from what was assumed initially or the curvature of the crack becomes significant. Another approach is to digitize an optical image of the test specimen surface and then apply a pattern recognition technique to locate the crack tip, but this method is still under development. The present work is an initial study on applying eddy current-type probes to monitoring fatigue crack growth. The performance of two types of electromagnetic probes, a conventional eddy current probe and a newly developed self-nulling probe, was evaluated for the detection characteristics at and near the tips of fatigue cracks. The scan results show that the latter probe provides a very well defined local maximum in its output in the crack tip region suggesting the definite possibility of precisely locating the tip, while the former provides a somewhat ambiguous distribution of the sensor output in the same region. The paper is organized as follows: We start by reviewing the design and performance characteristics of the self-nulling probe and then describe the scan results which demonstrate the basic properties of the self-nulling probe. Next, we provide a brief description of the software developed for tracing a simulated crack and give a brief discussion of the main results of the test. The final section summarizes the major accomplishments of the present work and the elements of the future R&D needs.

Namkung, M.↗
DOE OSTI2021

Burning velocities of R-32/O 2 /N 2 mixtures: Experimental measurements and development of a validated detailed chemical kinetic model

This work entails characterizing the flammability of the refrigerant R-32 (CH 2 F 2 ) by both experimental measurements and modeling. Burning velocities S u were measured using a constant-volume spherical-flame method for R-32/O2/N 2 mixtures with O 2 /N 2 ratios ranging from 21% (synthetic air) to 40%, pressures of (1 to 3) bar, and equivalence ratios $\phi$ of (0.8 to 1.3). Based on a critical assessment of available data, and extended by our own calculations, a detailed chemical kinetic model was developed and key reactions determined using reaction path and sensitivity analyses. Initiation and combustion were identified as distinct kinetic regimes and burning velocities were found to be controlled by two primary reactions: unimolecular decomposition of CH 2 F 2 → CHF + HF and the subsequent reaction, CHF + O 2 → CHFO + O, the latter reaction initiating the radical chain propagating and branching by producing O atoms. Sensitive rate constants in the kinetic model were critically adjusted within their uncertainties and current knowledge bounds to best fit the experimental burning velocities. We found that rate constants in the model could be adjusted to match a given experimental S u for specific conditions (O 2 loading, P, T, $\phi$). This, however, then fixes predicted burning velocities for other all conditions within (3 to 4)% if physically realistic rate parameters are maintained. Thus, the entire set of experimental data is fit, not just to particular conditions. Relative random uncertainties in the experimental Su measurements were (4 to 6)%, but assumptions made for thermal radiation lost by the burned gas in the spherical-flame experiments add an additional systematic uncertainty. Systematic differences between the limiting cases of adiabatic (no thermal radiation lost) and optically-thin (all thermal radiation lost) varied significantly with conditions and ranged from (4 to 30)% at high to low velocities, respectively, translating into uncertainties of (2 to 15)% considering the average of two limiting cases. Comparison of experimental and kinetically modeled Su values suggests that the burned gas tends towards the optically-thin limit at the lowest pressures and fuel loadings and toward the adiabatic limit at the highest pressures and loadings. We tested and found support for this conclusion with a detailed analysis as a function of all the conditions (T, P, % O 2 , $\phi$). This behavior appears to transition from optically-thin to adiabatic as the density of the initial fuel increases, which results in increased CO 2 in the burned gas and thus increased absorption of the thermal radiation (consistent with the Beer-Lambert Law). The validated detailed model based on evaluated kinetics is shown to accurately predict burning velocities for R-32 O 2 /N 2 mixtures over a wide range of conditions and provides a reliable basis for extrapolation to other conditions.

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

Photoinduced charge transfer in Zn(II) and Au(III)-ligated symmetric and asymmetric bacteriochlorin dyads: A computational study

The excited-state properties and photoinduced charge-transfer (CT) kinetics in a series of symmetrical and asymmetrical Zn- and Au-ligated meso–meso-connected bacteriochlorin (BChl) complexes are studied computationally. BChl derivatives, which are excellent near-IR absorbing chromophores, are found to play a central role in bacterial photosynthetic reaction centers but are rarely used in artificial solar energy harvesting systems. The optical properties of chemically linked BChl complexes can be tuned by varying the linking group and involving different ligated metal ions. We investigate charge transfer in BChl dyads that are either directly linked or through a phenylene ring (1,4- phenylene) and which are ligating Zn or Au ions. The directly linked dyads with a nearly perpendicular arrangement of the BChl units bear markedly different properties than phenylene linked dyads. In addition, we find that the dielectric dependence of the intramolecular CT rate is very strong in neutral Zn-ligated dyads, whereas cationic Au-ligated dyads show negligible dielectric dependence of the CT rate. Rate constants of the photo induced CT process are calculated at the semiclassical Marcus level and are compared to fully quantum mechanical Fermi’s golden rule based values. The rates are calculated using a screened range separated hybrid functional that offers a consistent framework for addressing environment polarization. We study solvated systems in two solvents of a low and a high scalar dielectric constant.

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

Doppler phase shifting using dual, switched phase shifting devices

A system of inducing a phase shift using moving reflector elements. The moving reflectors can be moving mirrors or an acousto-optical filter. The moving reflectors oscillate i.e. the move first in a first direction and then in a second direction. Two different reflectors are used so that the light can be switched between the reflectors. During a first portion of the cycle the light is coupled to the first modulator which moves the reflector in the first direction. The second modulator is out of phase with the first modulator, and the light is switched to that second modulator during a second portion of the cycle. The second modulator is also moving in the first direction when the light is applied thereto. In this way, the light obtains a constant direction Doppler shift.

Gutierrez, Roman C.↗
NASA NTRS1975

Slow X-ray bursts and flares with filament disruption

The data from OGO-5 and OSO-7 X-ray experiments have been compared with optical data from six chromospheric flares with filament disruption associated with slow thermal X-ray bursts. Filament activation accompanied by a slight X-ray enhancement precedes the first evidence of H-alpha flare by a few minutes. Rapid increase of the soft X-ray flux accompanies the phase of fastest expansion of the filament. Plateau or slow decay phases in the X-ray flux are associated with slowing and termination of filament expansion. The soft X-ray flux increases as F approaches (A + Bh)h, where h is the height of the disrupted prominence at any given time and A and B are constants. We suggest that the soft X-ray emission originates from a growing shell of roughly constant thickness of high-temperature plasma due to the compression of the coronal gas by the expanding prominence.

Roy, J.-R.↗
NASA NTRS1980

OCS, stratospheric aerosols and climate

The carbonyl sulfide budget in the atmosphere is examined, and the effects of stratospheric sulfate aerosol particles, formed in part from atmospheric carbonyl sulfate, on global climate are considered. From tropospheric measurements of carbon disulfide and the rate constant for the conversion of carbon disulfide to carbonyl sulfide, it is estimated that five Tg of carbonyl sulfide/year could be generated from carbon disulfide in the atmosphere. Direct sources of OCS include the refining and combustion of fossil fuels (1 Tg/year), natural and agricultural fires (0.2 to 0.3 Tg/year), and soils (0.5 Tg/year), yielding a total influx of from 1 to 10 Tg/year, up to 50% of which may be anthropogenic. Considerations of carbonyl sulfide sinks and concentrations indicate an atmospheric lifetime of one year, with OCS the major atmospheric sulfur compound. It is estimated that a ten-fold increase in atmospheric carbonyl sulfide would cause an optical depth perturbation comparable to that of a modest volcanic eruption, leading to an average global surface temperature decrease of 0.1 K, in addition to a possible greenhouse effect.

Turco, R. P.↗
NASA NTRS1980

The effect of zirconium on the isothermal oxidation of nominal Ni-14Cr-24Al alloys

The isothermal oxidation of Ni-14Cr-24Al-xZr-type alloys was performed in still air at 1100, 1150, and 1200 C for times up to 200 hr. The zirconium content of the alloys varied from 0-0.63 atom percent (a/o). The oxidized surfaces were studied by optical microscopy, X-ray diffraction, and scanning electron microscopy. The base alloy was an alumina former with the zirconium-containing alloys also developing some ZrO2. The addition of zirconium above 0.066 a/o increased the rate of weight gain relative to the base alloy. Due to oxide penetratio, the weight gain increased with Zr content; however, the scale thickness did not increase. The Zr did increase the adherence of the oxide, particularly at 1200 C. The delta W/A vs. time data fit the parabolic model of oxidation. The specific diffusion mechanism operative could not be identified by analysis of the calculated activation energies. Measurements of the Al2O3 scale lattice constants yielded the same values for all alloys.

Kahn, A. S.↗
DOE OSTI2020

Higher-order phonon scattering: advancing the quantum theory of phonon linewidth, thermal conductivity and thermal radiative properties

Phonon scattering plays a central role in the quantum theory of phonon linewidth, which in turn governs important properties including infrared spectra, Raman spectra, lattice thermal conductivity, thermal radiative properties, and also signifi- cantly affects other important processes such as hot electron relaxation. Since Maradudin and Fein’s classic work in 1962, three-phonon scattering had been considered as the dominant intrinsic phonon scattering mechanism and has seen tremendous advances. However, the role of the higher-order four-phonon scattering had been persistently unclear and so was ignored. The tremendous complexity of the formalism and computational challenges stood in the way, prohibiting the direct and quantitative treatment of four-phonon scattering. In 2016, a rigorous four-phonon scattering formalism was developed, and the prediction was realized using empirical potentials. In 2017, the method was extended using first-principles calculated force constants, and the thermal conductivities of boron arsenides (BAs), Si and diamond were predicted. The predictions for BAs were later confirmed by several independent experiments. Four-phonon scattering has since been investigated in a range of materials and established as an important intrinsic scattering mechanism for thermal transport and radiative properties. Specifically, four-phonon scattering is important when the fourth-order scattering potential or phase space becomes relatively large. The former scenario includes: (i) nearly all materials when the temperature is high; (ii) strongly anharmonic (low thermal conductivity) materials, including most rocksalt compounds, halides, hydrides, chalcogenides and oxides. The latter scenario includes: (iii) materials with large acoustic–optical phonon band gaps, such as XY compounds with a large atomic mass ratio between X and Y; (iv) two- dimensional materials with reflection symmetry, such as single-layer graphene, single-layer boron nitride and carbon nanotubes; and (v) phonons with a large density of states, such as optical phonons, which are important for Raman, infrared and thermal radiative properties. Four-phonon scattering is expected to gain broad interest in various technologically important materials for thermoelectrics, thermal barrier coatings, thermal energy storage, phase change, nuclear power, ultra-high temperature ceramics, infrared spectra, Raman spectra, radiative transport, hot electron relaxation and radiative cooling. Four-phonon scattering has been, and will continue to be, established as an important intrinsic phonon scattering mechanism beyond three-phonon scattering. The prediction of four-phonon scattering will transition from a breakthrough to a new routine in the next decade.

Feng, Tianli↗
NASA NTRS2019

Time Resolved Irradiance of an Integrating Sphere Illuminated by a Mode-Locked Optical Parametric Oscillator

Tunable laser based illumination sources have been adopted by a number of recent hyperspectral instruments for pre-launch spectral radiometric calibration. Some of these sources use mode-locked cavity configurations, which produce a pulse train and create an undesirable fluctuation in the radiometric source at the mode locking frequency. Although typically this frequency is several orders of magnitude higher than the instrument response, care must be taken to ensure the resultant calibration is not biased due to detector or electronic saturation effects. The temporal averaging properties of an integrating sphere can be used to reduce high frequency fluctuations to an acceptable level. In this work, the time resolved output of an integrating sphere coupled with a mode-locked source was measured. A 76 cm diameter sphere with 30 cm output aperture was illuminated using a mode-locked pulse train at 76 MHz, with single pulse durations of 12 ps. The time constant of the sphere was found to be 36 ns, and the resultant temporal averaging of pulses produced a maximum time varying irradiance at the output of 20% of the mean. The form of this time variance is a sawtooth pattern, with a sharp rise during the introduction of each pulse into the sphere followed by a slower decay between pulses. A comparison of instrument calibration data generated with this integrating sphere using both a mode locked source and a continuous wave source is also given. .

McAndrew, Brendan↗
NASA NTRS1985

Rapid evaluation of ion thruster lifetime using optical emission spectroscopy

A major life-limiting phenomenon of electric thrusters is the sputter erosion of discharge chamber components. Thrusters for space propulsion are required to operate for extended periods of time, usually in excess of 10,000 hr. Lengthy and very costly life-tests in high-vacuum facilities have been required in the past to determine the erosion rates of thruster components. Alternative methods for determining erosion rates which can be performed in relatively short periods of time at considerably lower costs are studied. An attempt to relate optical emission intensity from an ion bombarded surface (screen grid) to the sputtering rate of that surface is made. The model used a kinetic steady-state (KSS) approach, balancing the rates of population and depopulation of ten low-lying excited states of the sputtered molybdenum atom (MoI) with those of the ground state to relate the spectral intensities of the various transitions of the MoI to the population densities. Once this is accomplished, the population density can be related to the sputtering rate of the target. Radiative and collisional modes of excitation and decay are considered. Since actual data has not been published for MoI excitation rate and decay constants, semiempirical equations are used. The calculated sputtering rate and intensity is compared to the measured intensity and sputtering rates of the 8 and 30 cm ion thrusters.

Rock, B. A.↗
NASA NTRS1985

Rapid evaluation of ion thruster lifetime using optical emission spectroscopy

A major life-limiting phenomenon of electric thrusters is the sputter erosion of discharge chamber components. Thrusters for space propulsion are required to operate for extended periods of time, usually in excess of 10,000 hr. Lengthy and very costly life-tests in high-vacuum facilities have been required in the past to determine the erosion rates of thruster components. Alternative methods for determining erosion rates which can be performed in relatively short periods of time at considerably lower costs are studied. An attempt to relate optical emission intensity from an ion bombarded surface (screen grid) to the sputtering rate of that surface is made. The model used a kinetic steady-state (KSS) approach, balancing the rates of population and depopulation of ten low-lying excited states of the sputtered molybdenum atom (MoI) with those of the ground state to relate the spectral intensities of the various transitions of the MoI to the population densities. Once this is accomplished, the population density can be related to the sputting rate of the target. Radiative and collisional modes of excitation and decay are considered. Since actual data has not been published for MoI excitation rate and decay constants, semiempirical equations are used. The calculated sputtering rate and intensity is compared to the measured intensity and sputtering rates of the 8 and 30 cm ion thrusters.

Rock, B. A.↗