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At least 1,585 records · Page 88

Asymptotic expansions of the hydrogenic radial dipole integral

A method is presented for an asymptotic expansion of the hydrogenic radial dipole integral for discrete-discrete transitions from initial state n'l' to final state nl. The advantage of this simple method is that it allows all the necessary algebraic manipulations to be done by the computer programming package REDUCE-2. Expansion coefficients up to the coefficient of the l/n17 term are obtained for all initial states with n' < or = 10. However, only the coefficients which are not calculated by Klarsfeld are tabulated in this paper.

NASA Discipline Radiation Health↗

Homologous recombination as a potential target for caffeine radiosensitization in mammalian cells: reduced caffeine radiosensitization in XRCC2 and XRCC3 mutants

The radiosensitizing effect of caffeine has been associated with the disruption of multiple DNA damage-responsive cell cycle checkpoints, but several lines of evidence also implicate inhibition of DNA repair. The role of DNA repair inhibition in caffeine radiosensitization remains uncharacterized, and it is unknown which repair process, or lesion, is affected. We show that a radiosensitive cell line, mutant for the RAD51 homolog XRCC2 and defective in homologous recombination repair (HRR), displays significantly diminished caffeine radiosensitization that can be restored by expression of XRCC2. Despite the reduced radiosensitization, caffeine effectively abrogates checkpoints in S and G2 phases in XRCC2 mutant cells indicating that checkpoint abrogation is not sufficient for radiosensitization. Another radiosensitive line, mutant for XRCC3 and defective in HRR, similarly shows reduced caffeine radiosensitization. On the other hand, a radiosensitive mutant (irs-20) of DNA-PKcs with a defect in non-homologous end-joining (NHEJ) is radiosensitized by caffeine to an extent comparable to wild-type cells. In addition, rejoining of radiation-induced DNA DSBs, that mainly reflects NHEJ, remains unaffected by caffeine in XRCC2 and XRCC3 mutants, or their wild-type counterparts. These observations suggest that caffeine targets steps in HRR but not in NHEJ and that abrogation of checkpoint response is not sufficient to explain radiosensitization. Indeed, immortalized fibroblasts from AT patients show caffeine radiosensitization despite the checkpoint defects associated with ATM mutation. We propose that caffeine radiosensitization is mediated by inhibition of stages in DNA DSB repair requiring HRR and that checkpoint disruption contributes by allowing these DSBs to transit into irreparable states. Thus, checkpoints may contribute to genomic stability by promoting error-free HRR.

NASA Discipline Radiation Health↗

Monte Carlo Simulation of Markov, Semi-Markov, and Generalized Semi- Markov Processes in Probabilistic Risk Assessment

A standard tool of reliability analysis used at NASA-JSC is the event tree. An event tree is simply a probability tree, with the probabilities determining the next step through the tree specified at each node. The nodal probabilities are determined by a reliability study of the physical system at work for a particular node. The reliability study performed at a node is typically referred to as a fault tree analysis, with the potential of a fault tree existing.for each node on the event tree. When examining an event tree it is obvious why the event tree/fault tree approach has been adopted. Typical event trees are quite complex in nature, and the event tree/fault tree approach provides a systematic and organized approach to reliability analysis. The purpose of this study was two fold. Firstly, we wanted to explore the possibility that a semi-Markov process can create dependencies between sojourn times (the times it takes to transition from one state to the next) that can decrease the uncertainty when estimating time to failures. Using a generalized semi-Markov model, we studied a four element reliability model and were able to demonstrate such sojourn time dependencies. Secondly, we wanted to study the use of semi-Markov processes to introduce a time variable into the event tree diagrams that are commonly developed in PRA (Probabilistic Risk Assessment) analyses. Event tree end states which change with time are more representative of failure scenarios than are the usual static probability-derived end states.

English, Thomas↗

Large Payload Transportation and Test Considerations

Ironically, the limiting factor to a national heavy lift strategy may not be the rocket technology needed to throw a heavy payload, but rather the terrestrial infrastructure - roads, bridges, airframes, and buildings - necessary to transport, acceptance test, and process large spacecraft. Failure to carefully consider how large spacecraft are designed, and where they are manufactured, tested, or launched, could result in unforeseen cost to modify/develop infrastructure, or incur additional risk due to increased handling or elimination of key verifications. During test and verification planning for the Altair project, a number of transportation and test issues related to the large payload diameter were identified. Although the entire Constellation Program - including Altair - was canceled in the 2011 NASA budget, issues identified by the Altair project serve as important lessons learned for future payloads that may be developed to support national "heavy lift" strategies. A feasibility study performed by the Constellation Ground Operations (CxGO) project found that neither the Altair Ascent nor Descent Stage would fit inside available transportation aircraft. Ground transportation of a payload this large over extended distances is generally not permitted by most states, so overland transportation alone would not have been an option. Limited ground transportation to the nearest waterway may be permitted, but water transportation could take as long as 66 days per production unit, depending on point of origin and acceptance test facility; transportation from the western United States would require transit through the Panama Canal to access the Kennedy Space Center launch site. Large payloads also pose acceptance test and ground processing challenges. Although propulsion, mechanical vibration, and reverberant acoustic test facilities at NASA s Plum Brook Station have been designed to accommodate large spacecraft, special handling and test work-arounds may be necessary, which could increase cost, schedule, and technical risk. Once at the launch site, there are no facilities currently capable of accommodating the combination of large payload size and hazardous processing (which includes hypergolic fuels, pyrotechnic devices, and high pressure gasses).

Rucker, Michelle A.↗

High-Speed, High-Resolution Time-to-Digital Conversion

This innovation is a series of time-tag pulses from a photomultiplier tube, featuring short time interval between pulses (e.g., 2.5 ns). Using the previous art, dead time between pulses is too long, or too much hardware is required, including a very-high-speed demultiplexer. A faster method is needed. The goal of this work is to provide circuits to time-tag pulses that arrive at a high rate using the hardwired logic in an FPGA - specifically the carry chain - to create what is (in effect) an analog delay line. High-speed pulses travel down the chain in a "wave." For instance, a pulse train has been demonstrated from a 1- GHz source reliably traveling down the carry chain. The size of the carry chain is over 10 ns in the time domain. Thus, multiple pulses will travel down the carry chain in a wave simultaneously. A register clocked by a low-skew clock takes a "snapshot" of the wave. Relatively simple logic can extract the pulses from the snapshot picture by detecting the transitions between logic states. The propagation delay of CMOS (complementary metal oxide semiconductor) logic circuits will differ and/or change as a result of temperature, voltage, age, radiation, and manufacturing variances. The time-to-digital conversion circuits can be calibrated with test signals, or the changes can be nulled by a separate on-die calibration channel, in a closed loop circuit.

Katz, Richard↗

Large Payload Ground Transportation and Test Considerations

During test and verification planning for the Altair lunar lander project, a National Aeronautics and Space Administration (NASA) study team identified several ground transportation and test issues related to the large payload diameter. Although the entire Constellation Program-including Altair-has since been canceled, issues identified by the Altair project serve as important lessons learned for payloads greater than 7 m diameter being considered for NASA's new Space Launch System (SLS). A transportation feasibility study found that Altair's 8.97 m diameter Descent Module would not fit inside available aircraft. Although the Ascent Module cabin was only 2.35 m diameter, the long reaction control system booms extended nearly to the Descent Module diameter, making it equally unsuitable for air transportation without removing the booms and invalidating assembly workmanship screens or acceptance testing that had already been performed. Ground transportation of very large payloads over extended distances is not generally permitted by most states, so overland transportation alone would not be an option. Limited ground transportation to the nearest waterway may be possible, but water transportation could take as long as 66 days per production unit, depending on point of origin and acceptance test facility; transportation from the western United States would require transit through the Panama Canal to access the Kennedy Space Center launch site. Large payloads also pose acceptance test and ground processing challenges. Although propulsion, mechanical vibration, and reverberant acoustic test facilities at NASA's Plum Brook Station have been designed to accommodate large spacecraft, special handling and test work-arounds may be necessary, which could increase cost, schedule, and technical risk. Once at the launch site, there are no facilities currently capable of accommodating the combination of large payload size and hazardous processing such as hypergolic fuels, pyrotechnic devices, and high pressure gasses. Ironically, the limiting factor to a national heavy lift strategy may not be the rocket technology needed to throw a heavy payload, but rather the terrestrial infrastructure-roads, bridges, airframes, and buildings-necessary to transport, acceptance test, and process large spacecraft. Failure to carefully consider where and how large spacecraft are manufactured, tested, and launched could result in unforeseen cost to modify existing (or develop new) infrastructure, or incur additional risk due to increased handling operations or eliminating key verifications.

Rucker, Michelle A.↗

Large Payload Ground Transportation and Test Considerations

Many spacecraft concepts under consideration by the National Aeronautics and Space Administration’s (NASA’s) Evolvable Mars Campaign take advantage of a Space Launch System payload shroud that may be 8 to 10 meters in diameter. Large payloads can theoretically save cost by reducing the number of launches needed--but only if it is possible to build, test, and transport a large payload to the launch site in the first place. Analysis performed previously for the Altair project identified several transportation and test issues with an 8.973 meters diameter payload. Although the entire Constellation Program—including Altair—has since been canceled, these issues serve as important lessons learned for spacecraft designers and program managers considering large payloads for future programs. A transportation feasibility study found that, even broken up into an Ascent and Descent Module, the Altair spacecraft would not fit inside available aircraft. Ground transportation of such large payloads over extended distances is not generally permitted, so overland transportation alone would not be an option. Limited ground transportation to the nearest waterway may be possible, but water transportation could take as long as 67 days per production unit, depending on point of origin and acceptance test facility; transportation from the western United States would require transit through the Panama Canal to access the Kennedy Space Center launch site. Large payloads also pose acceptance test and ground processing challenges. Although propulsion, mechanical vibration, and reverberant acoustic test facilities at NASA’s Plum Brook Station have been designed to accommodate large spacecraft, special handling and test work-arounds may be necessary, which could increase cost, schedule, and technical risk. Once at the launch site, there are no facilities currently capable of accommodating the combination of large payload size and hazardous processing such as hypergolic fuels, pyrotechnic devices, and high pressure gasses. Ironically, the limiting factor to a national heavy lift strategy may not be the rocket technology needed to throw a heavy payload, but rather the terrestrial infrastructure—roads, bridges, airframes, and buildings—necessary to transport, acceptance test, and process large spacecraft. Failure to carefully consider where and how large spacecraft are manufactured, tested, and launched could result in unforeseen cost to modify existing (or develop new) infrastructure, or incur additional risk due to increased handling operations or eliminating key verifications. Although this paper focuses on the canceled Altair spacecraft as a case study, the issues identified here have wide applicability to other large payloads, including concepts under consideration for NASA’s Evolvable Mars Campaign.

Rucker, Michelle A.↗

Habitable Climate Scenarios for Proxima Centauri B with a Dynamic Ocean

The nearby exoplanet Proxima Centauri b will be a prime future target for characterization, despite questions about its retention of water. Climate models with static oceans suggest that Proxima b could harbor a small dayside surface ocean despite its weak instellation. We present the first climate simulations of Proxima b with a dynamic ocean. We find that an ocean-covered Proxima b could have a much broader area of surface liquid water but at much colder temperatures than previously suggested, due to ocean heat transport and/or depression of the freezing point by salinity. Elevated greenhouse gas concentrations do not necessarily produce more open ocean because of dynamic regime transitions between a state with an equatorial Rossby-Kelvin wave pattern and a state with a day-night circulation. For an evolutionary path leading to a highly saline ocean, Proxima b could be an inhabited, mostly open ocean planet with halophilic life. A fresh water ocean produces a smaller liquid region than does an Earth salinity ocean. An ocean planet in 3:2 spin-orbit resonance has a permanent tropical waterbelt for moderate eccentricity. A larger vs. smaller area of surface liquid water for similar equilibrium temperature may be distinguishable using the amplitude of the thermal phase curve. Simulations of Proxima Centauri b may be a model for the habitability of weakly irradiated planets orbiting slightly cooler or warmer stars, e.g., in the TRAPPIST-1, LHS 1140, GJ 273, and GJ 3293 systems.

Aquaplanet↗

Spin–orbit coupling of electrons on separate lanthanide atoms of Pr 2 O 2 and its singly charged cation

Although it plays a critical role in the photophysics and catalysis of lanthanides, spin–orbit coupling of electrons on individual lanthanide atoms in small clusters is not well understood. The major objective of this work is to probe such coupling of the praseodymium (Pr) 4f and 6s electrons in Pr 2 O 2 and Pr 2 O 2 +. The approach combines mass-analyzed threshold ionization spectroscopy and spin–orbit multiconfiguration second-order quasi-degenerate perturbation theory. The energies of six ionization transitions are precisely measured; the adiabatic ionization energy of the neutral cluster is 38 045 (5) cm –1 . Most of the electronic states involved in these transitions are identified as spin–orbit coupled states consisting of two or more electron spins. The electron configurations of these states are 4f 4 6s 2 for the neutral cluster and 4 f 46 s for the singly charged cation, both in planar rhombus-type structures. Finally, the spin–orbit splitting due to the coupling of the electrons on the separate Pr atoms is on the order of hundreds of wavenumbers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microwave properties of YBa2Cu3O(7-delta) high-transition-temperature superconducting thin films measured by the power transmission method

The microwave response of YBa2Cu3O(7-delta) superconducting thin films deposited on LaAlO3, MgO, YSZ, and LaGaO3 substrates are studied. It is found that the microwave transmission properties are very weakly dependent on temperature in the normal state but change drastically upon transition to the superconducting state. In particular, the transmission decreases and there is a negative phase shift with respect to the phase at room temperature when the sample is cooled through its transition temperature. The magnetic penetration depth for all the films was determined from the surface reactance of the films. The microwave complex conductivity is determined in both the normal and the superconducting state. It is observed that both sigma1 and sigma2 increase in transition to the superconducting state. The surface resistivity is calculated for all the films.

Miranda, F. A.↗

Observation of second harmonic electron cyclotron resonance heating and current-drive transition during non-inductive plasma start-up experiment in QUEST

Here, noninductive plasma current start-up using 2nd harmonic electron cyclotron resonance heating (ECRH) with oblique radio frequency (RF) injection is demonstrated in a Q-shu University experiment with steady-state spherical tokamak. A strong transition was observed in the heating and plasma current ramp-up. The initial bulk electron heating regime exhibits T ebulk ~ 140 eV and no hard x-ray (HXR) emission with a low I p of ~15 kA; it abruptly transitions to a regime that exhibits a low T ebulk of ~10 eV and a strong HXR emission with a high I p of ~50 kA. This behavior is distinctly different from that observed in previous fundamental ECRH experiments. The mechanism of the heating and current drive transition are investigated considering wave power absorption and plasma power balance. The results indicate that the transition is caused by the favorable heating of tail electrons where the RF power absorption at the 2nd harmonic increases nearly linearly with T etail , while the power transfer from the tail electrons to the bulk electrons decreases with 1/T etail 0.5 . This causes a rapid transition to a state with high T etail while reducing T ebulk towards colder ion temperature. The understanding of the transition mechanism helps to consider plasma current start-up using 2nd harmonic ECRH for tokamak reactors such as JT-60 SA and ITER.

QUEST↗

Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory

The fate of thymine upon excitation by ultraviolet radiation has been the subject of intense debate. Today, it is widely believed that its ultrafast excited state gas phase decay stems from a radiationless transition from the bright ππ* state to a dark nπ* state. However, conflicting theoretical predictions have made the experimental data difficult to interpret. Here we simulate the early gas phase ultrafast dynamics in thymine at the highest level of theory to date. This is made possible by performing wavepacket dynamics with a recently developed coupled cluster method. Our simulation confirms an ultrafast ππ* to nπ* transition (τ = 41 ± 14 fs). Furthermore, the predicted oxygen-edge X-ray absorption spectra agree quantitatively with experiment. We also predict an as-yet uncharacterized πσ* channel that leads to hydrogen dissociation at one of the two N-H bonds. Similar behavior has been identified in other heteroaromatic compounds, including adenine, and several authors have speculated that a similar pathway may exist in thymine. However, this was never confirmed theoretically or experimentally. This prediction calls for renewed efforts to experimentally identify or exclude the presence of this channel.

Kjønstad, Eirik F.↗

Relaxation and frequency shifts in the ground state of Rb-85

Results are presented on the relaxation and frequency shifts measured for the 0-0 transition of the ground state of Rb-85 at 3.03 GHz in various physical environments. These results include data on spin-exchange, buffer-gas, and wall interactions.

Vanier, J.↗

Efficient core-excited state orbital perspective on calculating x-ray absorption transitions in determinant framework

X-ray absorption spectroscopy (XAS) is an explicit probe of the unoccupied electronic structure of materials and an invaluable tool for fingerprinting various electronic properties and phenomena. Computational methods capable of simulating and analyzing such spectra are therefore in high demand for complementing experimental results and for extracting valuable insights therefrom. In particular, a recently proposed first-principles approach titled many-body XAS (MBXAS), which approximates the final (initial) state as a Slater determinant constructed from Kohn-Sham (KS) orbitals optimized in the absence (presence) of the relevant core electron has shown promising prospects in evaluating the transition amplitudes. In this article, we show that the MBXAS approach can be rederived using a transition operator expressed entirely in the basis of core-excited state KS orbitals and that this reformulation offers substantial practical and conceptual advantages. In addition to circumventing previous issues of convergence with respect to the number of unoccupied ground-state orbitals, the aforementioned representation reduces the computational expense by rendering the calculation of such orbitals unnecessary altogether. Furthermore, the reformulated approach also provides a direct pathway for comparing the many-body approximation with the so-called single-particle treatment and indicates the relative importance in observed XAS intensity of the relaxation of the valence occupied subspace induced by the core excitation. Finally, using the core-excited state basis, we define auxiliary orbitals for x-ray absorption and demonstrate their utility in explaining the spectral intensity by contrasting them with single-particle approximations to the excited state.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Theoretical studies of solar-pumped lasers

Metallic vapor lasers of Na2 and Li2 are examined as solar energy converters. The absorbed photons cause transitions to vibrational-rotational levels in an upper electronic state. With broad band absorption the resultant levels can have quantum numbers considerably higher than the upper lasing level. The excited molecule then relaxes to the upper lasing level which is one of the lower vibrational levels in the upper electronic state. The relaxation occurs from collisions, provided the molecule is not quenched into the ground level electronic state. Lasing occurs with a transition to a vibrational level in the lower electronic state. Rough estimates of solar power efficiencies are 1 percent for Na2 and probably a similar figure for Li2. The nondissociative lasers from a family distinct from materials which dissociate to yield an excited atom.

Harries, W. L.↗

A quantum trajectory picture of single photon absorption and energy transport in photosystem II

Here, we use quantum trajectory theory to study the dynamics of the first step in photosynthesis for a single photon interacting with photosystem II (PSII). By considering individual trajectories we are able to look beyond the ensemble average dynamics to compute the PSII system evolution conditioned upon individual photon counting measurements. Measurements of the transmitted photon beam strongly affects the system state, since detection of an outgoing photon confirms that the PSII must be in the electronic ground state, while a null measurement implies it is in an excited electronic state. We show that under ideal conditions, observing the null result transforms a state with a low excited state population to a state with nearly all population contained in the excited states. We study the PSII dynamics conditioned on such photon counting for both a pure excitonic model of PSII and a more realistic model with exciton-phonon coupling to a dissipative phononic environment. In the absence of such coupling, we show that the measured fluorescence rates show oscillations constituting a photon-counting witness of excitonic coherence. Excitonic coupling to the phonon environment has a strong effect on the observed rates of fluorescence, damping the oscillations. Addition of non-radiative decay and incoherent transitions to radical pair states in the reaction center to the phononic model allows extraction of a quantum efficiency of 92.5% from the long-time evolution, consistent with bulk experimental measurements.

Coherent states↗

Probing Excited-State Dynamics of Transmon Ionization

The fidelity and quantum nondemolition character of the dispersive readout in circuit QED are limited by unwanted transitions to highly excited states at specific photon numbers in the readout resonator. This observation can be explained by multiphoton resonances between computational states and highly excited states in strongly driven nonlinear systems, analogous to multiphoton ionization in atoms and molecules. In this work, we utilize the multilevel nature of high-𝐸 𝐽 /𝐸 𝐶 transmons to probe the excited-state dynamics induced by strong drives during readout. With up to ten resolvable states, we quantify the critical photon number of ionization, the resulting state after ionization, and the fraction of the population transferred to highly excited states. Moreover, using pulse shaping to control the photon number in the readout resonator in the high-power regime, we tune the adiabaticity of the transition and verify that transmon ionization is a Landau-Zener-type transition. We further extend these methods to a typical transmon with 𝐸 𝐽 /𝐸 𝐶 ≈ 55 and probe the offset-charge dependence of ionization dynamics in a timed-resolved manner. Our experimental results agree well with the theoretical prediction from a semiclassical driven transmon model and may guide future exploration of strongly driven nonlinear oscillators.

cavity quantum electrodynamics↗

Atomic oxygen fluorescence excitation using a Raman-shifted, tunable ArF-excimer laser

A novel method for exciting the two-photon, 2p3 3p 3P left arrow 2p4 3P atomic oxygen transition is reported. The transition to the upper state is achieved through the combined absorption of photons from the second and third Stokes order pulses of an ArF-excimer laser that is wavelength-shifted by the use of deuterium Raman cell. All three transitions from the ground electronic state of the oxygen atom lie within the tuning range of the Raman-shifted ArF laser. The available pulse energy from this laser configuration is comparable to that of commercially available Nd:YAG-pumped dye laser systems operated at 226 nm.

Fletcher, D. G.↗