Search NASA⌕ Search

SEARCH · Search NASA

Results for “transition probability”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Development of Laser-Induced Breakdown Spectroscopy for the Californium-252 Supply Program

Calibration-free–laser-induced breakdown spectroscopy (CF-LIBS) is suggested as an alternative to traditional LIBS because it does not rely on calibration curves and instead relies on previously reported parameters called transition probabilities. Transition probabilities are fundamental parameters that describe the probability a specific transition from an upper energy to a lower energy will occur. These values act as internal calibrations and allow concentrations to be calculated based on the plasma temperature and electron density, which can be determined from Saha-Boltzmann methods. CF-LIBS provides the ability to perform elemental concentration estimations on samples without the need for chemical dilutions and only nanograms of material are ablated into the plasma. These benefits can be applied remotely inside hot cells, glove boxes, and radiation hoods through optical fibers. This report summarizes recent efforts to develop CF-LIBS methods for future applications within Oak Ridge National Laboratory’s radioisotope production portfolio, such as the Cf-252 Supply Program. Summaries are provided for the developed Python scripts for data analysis and two studies employing these programs to determine unreported transition probabilities of relevant lanthanides. Additionally, a review of fiber-delivered LIBS and a discussion of a LIBS fiber probe design are provided.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS1991

Theoretical temperature-dependent branching ratios and laser thresholds of the 3F4 to 3H6 levels of Tm(3+) in ten garnets

The calculated energy levels, the branching ratios, and the estimated thresholds for thulium operating on the 3F4 to 3H6 transitions are reported. Garnet materials with the general formula A3B2C3O12 are evaluated. Calculations are performed for the A side under the assumption of D2 symmetry. X-ray data available in the literature are used to evaluate the crystal-field components, A sub nm. Even-n components are employed to calculate the crystal-field splittings within the manifold. Thermal occupation factors are determined in a straightforward manner using a Boltzmann distribution for the respective manifolds. Odd-n components are applied to calculate the transition probabilities for electric field transitions. It is determined that the magnetic dipole contributions to the transition probability are comparable to the electric dipole contributions in some cases. Thresholds as a function of the density of thulium atoms are calculated.

Filer, Elizabeth D.↗
NASA NTRS1997

Oscillator Strengths for Fine-Structure Transitions in S III

Oscillator strengths and transition probabilities for transitions among the fine-structure levels of the terms belonging to the 3s(sup 2)3p(sup 2), 3s3p(sup 3), 3s(sup 2)3p3d, 3s(sup 2)3p4s, 3s(sup 2)3p4p, and 3s(sup 2)3p4d configurations of S III are calculated using extensive configuration-interaction wave functions. The relativistic effects in intermediate coupling are incorporated by means of the Breit-Pauli Hamiltonian. Small adjustments to the diagonal elements of the Hamiltonian matrices have been made so that the energy splittings are as close as possible to the experimental values. The present results are compared with other available calculations and experiments.

Tayal, S. S.↗
NASA NTRS1998

Cross Sections for Electron Impact Excitation of Ions Relevant to Planetary Atmospheres Observation

The goal of this research grant was to calculate accurate oscillator strengths and electron collisional excitation strengths for inelastic transitions in atomic species of relevance to Planetary Atmospheres. Large scale configuration-interaction atomic structure calculations have been performed to obtain oscillator strengths and transition probabilities for transitions among the fine-structure levels and R-matrix method has been used in the calculations of electron-ion collision cross sections of C II, S I, S II, S III, and Ar II. A number of strong features due to ions of sulfur have been detected in the spectra of Jupiter satellite Io. The electron excitation cross sections for the C II and S II transitions are studied in collaboration with the experimental atomic physics group at the Jet Propulsion Laboratory. There is excellent agreement between experiment and theory which provide an accurate and broad-base test of the ability of theoretical methods used in the calculation of atomic processes. Specifically, research problems have been investigated for: electron impact excitation cross sections of C II: electron impact excitation cross sections of S III; energy levels and oscillator strengths for transitions in S III; collision strengths for electron collisional excitation of S II; electron impact excitation of inelastic transitions in Ar II; oscillator strengths of fine-structure transitions in neutral sulfur; cross sections for inelastic scattering of electrons from atomic nitrogen; and excitation of atomic ions by electron impact.

Tayal, Swaraj S.↗
NASA NTRS1995

High-Resolution Electron-Impact Study of the Far-Ultraviolet Emission Spectrum of Molecular Hydrogen

The emission spectrum of molecular hydrogen produced by electron-impact excitation at 100 eV has been measured in the wavelength range 1140-1690 A. High-resolution, optically thin spectra (delta(lambda) = 0.136 A) of the far-ultraviolet (FUV) Lyman and Werner band systems have been obtained with a newly constructed 3 m spectrometer. Synthetic spectral intensities based on the transition probabilities calculated by Abgrall et al. are in very good agreement with experimentally observed intensities. Previous modeling that utilized Allison & Daigarno band transition probabilities with Hoenl-London factors breaks down when the transition moment has significant J dependence or when ro-vibrational coupling is significant. Ro-vibrational perturbation between upsilon = 14 of the B(sup 1)Sigma(sup +, sub u) state and upsilon = 3 of the C(sup 1)Pi(sub u) state and the rotational dependence of the transition moment in the bands of the Lyman system are examined. Complete high-resolution experimental reference FUV spectra, together with the model synthetic spectra based on the Abgrall transition probabilities, are presented. An improved calibration standard is obtained, and an accurate calibration of the 3 m spectrometer has been achieved.

Liu, Xian-Ming↗
DOE OSTI2025

Understanding Pore Filling Processes and Adsorption/Desorption Hysteresis in Nanoporous Metal–Organic Frameworks: Insights from Grand Canonical Monte Carlo Simulations and Free Energy Calculations

Grand canonical Monte Carlo (GCMC) simulations were used to investigate pore filling and hysteresis in nanoporous metal-organic frameworks (MOFs). Adsorption and desorption isotherms were calculated for argon at 87 K in 1866 MOFs from the CoRE MOF database and for short n-alkanes in selected MOFs, keeping the adsorbent structure rigid. Analysis of the molecular configurations showed two different mechanisms and origins of hysteresis: one involving a transition of the adsorbate arrangement in the pores similar to a gas-to-liquid transition associated with a large change in the loading and one more similar to a liquid-to-solid transition associated with a relatively small change in the loading. Our GCMC simulations in MOFs with diverse pore topologies indicate exceptions to an empirical relationship for the minimum diameter of a cylindical pore required for hysteresis as a function of the adsorbate diameter and reduced temperature. The simulations reveal some structures where isotherms exhibit two steps in the adsorption branch and only one step in the desorption branch. Hysteresis loops with a different number of adsorption and desorption steps are not common. Here, to better understand why hysteresis is observed in the GCMC simulations, the concept of the transition probability for observing a step in the adsorption isotherm at a given pressure in a GCMC simulation is introduced. We used two different methods to calculate the transition probabilities and find that these yield comparable results. Furthermore, the transition probability provides a measure for the length of GCMC simulations to yield reliable results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Lifetimes of low-lying levels in 158 Gd

The low-lying structure of the well-deformed nucleus 158 Gd has been revisited to elucidate the nature of the low-lying states in 158 Gd. Earlier (p, t) studies identified numerous 0 + states below 4.3 MeV, prompting questions about whether these states correspond to collective vibrations or shape coexistence. New and previously reported (n, n' γ) measurements are combined, including γ-γ coincidences, excitation functions, and angular distributions, to extract lifetimes and transition probabilities for 44 excited states up to 2.7 MeV, including 32 previously unmeasured levels. Our results confirm or revise γ-ray placements and provide detailed transition strengths, revealing both weakly collective and strongly enhanced B(E2) and B(E1) transition probabilities. In particular, a tentative 0 + state at 2437.8 keV exhibits a strong interband B(E2) transition, which may be a candidate for a possible two-phonon (ββ) excitation. Systematic comparisons with neighboring Gd isotopes, Hartree–Fock–Bogoliubov, and interacting-boson model predictions suggest that the first excited 0 + state in 158 Gd is predicted to be a β-vibration, although it is weakly collective.

158Gd↗
NASA NTRS2017

The Effects of Vegetative Type, Edges, Fire History, Rainfall and Management in Fire-Maintained Ecosystems

The combined effects of repeated fires, climate, and landscape features (e.g., edges) need greater focus in fire ecology studies, which usually emphasize characteristics of the most recent fire and not fire history. Florida scrub-jays are an imperiled, territorial species that prefer medium (1.2-1.7 m) shrub heights. We measured short, medium, and tall habitat quality states annually within 10 ha grid cells that represented potential territories because frequent fires and vegetative recovery cause annual variation in habitat quality. We used multistate models and model selection to test competing hypotheses about how transition probabilities between states varied annually as functions of environmental covariates. Covariates included vegetative type, edges, precipitation, openings (gaps between shrubs), mechanical cutting, and fire characteristics. Fire characteristics not only included an annual presenceabsence of fire covariate, but also fire history covariates: time since the previous fire, the maximum fire-free interval, and the number of repeated fires. Statistical models with support included many covariates for each transition probability, often including fire history, interactions and nonlinear relationships. Tall territories resulted from 28 years of fire suppression and habitat fragmentation that reduced the spread of fires across landscapes. Despite 35 years of habitat restoration and prescribed fires, half the territories remained tall suggesting a regime shift to a less desirable habitat condition. Measuring territory quality states and environmental covariates each year combined with multistate modeling provided a useful empirical approach to quantify the effects of repeated fire in combinations with environmental variables on transition probabilities that drive management strategies and ecosystem change.

Breininger, David R.↗
NASA NTRS1980

'Bottleneck' calculation of ion-electron recombination coefficients for lithium-like ions

The ion-electron recombination coefficients for the lithium-like ions C IV, O VI, Ne VIII, Si XII and Ar XVI are computed by the bottleneck method of Byron et al. (1962). In this method, the minimum rate of transitions down the ladder of energy level is taken as the limiting recombination rate, and the particular energy level corresponding to the minimum transition rate is found. The partial collisional radiative recombination coefficient is obtained in terms of the equilibrium population, the rate of collisional de-excitation, the mean radiative transition probability from the bottleneck level and the total transition probability from a level above the bottleneck level to all levels below it. The full collisional-radiative recombination is then obtained by the addition of the values of the radiative recombination coefficient and the three-body recombination coefficient to the ground level. Results of the calculation are shown to be in good agreement with those of Drawin and Emard (1975) for the case of hydrogen. It is also noted that the process of dielectronic recombination, which is not accounted for here, may be significant at lower densities.

Kastner, S. O.↗
DOE OSTI2022

Classification of Photovoltaic Failures with Hidden Markov Modeling, an Unsupervised Statistical Approach

Failure detection methods are of significant interest for photovoltaic (PV) site operators to help reduce gaps between expected and observed energy generation. Current approaches for field-based fault detection, however, rely on multiple data inputs and can suffer from interpretability issues. In contrast, this work offers an unsupervised statistical approach that leverages hidden Markov models (HMM) to identify failures occurring at PV sites. Using performance index data from 104 sites across the United States, individual PV-HMM models are trained and evaluated for failure detection and transition probabilities. This analysis indicates that the trained PV-HMM models have the highest probability of remaining in their current state (87.1% to 93.5%), whereas the transition probability from normal to failure (6.5%) is lower than the transition from failure to normal (12.9%) states. A comparison of these patterns using both threshold levels and operations and maintenance (O&M) tickets indicate high precision rates of PV-HMMs (median = 82.4%) across all of the sites. Although additional work is needed to assess sensitivities, the PV-HMM methodology demonstrates significant potential for real-time failure detection as well as extensions into predictive maintenance capabilities for PV.

classification↗
NASA NTRS1992

Relaxation of higher vibrational states in diatomic gases

A general and computationally efficient approach evaluating the transition probabilities for the V-T exchange, involving highly excited levels and the transitions of delta-v of more than 1, in diatomic gases is presented. The role of the repulsive part of the intermolecular potential on the transition probability is also investigated. Examples of numerical results are given for number of transitions in nitrogen and oxygen molecules in the ground electronic states. The approach can be used for interactions involving diatomic molecular ions.

Kunc, J. A.↗
NASA NTRS1987

A statistical rain attenuation prediction model with application to the advanced communication technology satellite project. Part 2: Theoretical development of a dynamic model and application to rain fade durations and tolerable control delays for fade countermeasures

A dynamic rain attenuation prediction model is developed for use in obtaining the temporal characteristics, on time scales of minutes or hours, of satellite communication link availability. Analagous to the associated static rain attenuation model, which yields yearly attenuation predictions, this dynamic model is applicable at any location in the world that is characterized by the static rain attenuation statistics peculiar to the geometry of the satellite link and the rain statistics of the location. Such statistics are calculated by employing the formalism of Part I of this report. In fact, the dynamic model presented here is an extension of the static model and reduces to the static model in the appropriate limit. By assuming that rain attenuation is dynamically described by a first-order stochastic differential equation in time and that this random attenuation process is a Markov process, an expression for the associated transition probability is obtained by solving the related forward Kolmogorov equation. This transition probability is then used to obtain such temporal rain attenuation statistics as attenuation durations and allowable attenuation margins versus control system delay.

Manning, Robert M.↗
DOE OSTI2025

Learning and Controlling Silicon Dopant Transitions in Graphene Using Scanning Transmission Electron Microscopy

A machine learning approach is introduced to determine the transition dynamics of silicon atoms on a single layer of carbon atoms, when stimulated by the electron beam of a scanning transmission electron microscope (STEM). This method is data-centric, leveraging data collected on a STEM. The data samples are processed and filtered to produce symbolic representations, which is used to train a neural network to predict transition probabilities. These learned transition dynamics are then leveraged to guide a single silicon atom throughout the lattice to pre-determined target destinations. Empirical analyses are presented that demonstrate the efficacy and generality of the approach.

36 MATERIALS SCIENCE↗