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This document is the beginnings of combining the theory of electron production and the code implementations in MCNP and other codes. The hopes of this is to help translate all the theory into the theory manual of MCATK. In addition, this will help the MCATK team to know how other codes treat electron physics.
Abstract not provided.
A combination of high strength and high ductility has been observed in multi-principal element alloys due to twin formation attributed to low stacking fault energy (SFE). In the pursuit of low SFE alloys, a key bottleneck is the lack of understanding of the composition–SFE cor- relations that would guide tailoring SFE via alloy composition. Using density functional theory (DFT), we show that dopant radius, which have been postulated as a key descriptor for SFE in dilute alloys, does not fully explain SFE trends across different host metals. Instead, charge density is a much more central descriptor. It allows us to (1) explain contrasting SFE trends in Ni and Cu host metals due to various dopants in dilute concentrations, (2) explain the large SFE variations observed in the literature even within a given alloy composition due to the nearest neighbor environments in “model” concentrated alloys, and (3) develop a machine learning model that can be used to predict SFEs in multi-elemental alloys. This model opens a possibility to use charge density as a descriptor for predicting SFE in alloys. Furthermore, a descriptor-less machine learning (ML) model based only on charge density images extracted from density functional theory (DFT) is developed to predict stacking fault energies (SFE) in concentrated alloys. The model is based on convolutional neural networks (CNNs) as one of the promising ML techniques for dealing with complex images and data. Identification of correct descriptors is a key bottleneck to develop ML models for predicting materials properties. Often, in most ML models, textbook physical descriptors such as atomic radius, valence charge and electronegativity are used as descriptors which have limitations because these properties change in concentrated alloys when multiple elements are mixed to form a solid solution. We illustrate that, within the scope of DFT, the search for descriptors can be circumvented by electronic charge density, which is the backbone of the Kohn-Sham DFT and describes the system completely. The performance of our model is demonstrated by predicting SFE of concentrated alloys with an RMSE and R2 of 6.18 mJ/m2 and 0.87, respectively, validating the accuracy of the proposed approach.
Theoretical studies of atomic and molecular gases
Atomic and molecular hydrogen formation in photolysis of hydrogen peroxide
The basic subject of this volume is the solar astronomy program conducted on Skylab. In addition to descriptions of the individual experiments and the principles involved in their performance, a brief description is included of the sun and the energy characteristics associated with each zone. Wherever possible, related classroom activities have been identified and discussed in some detail. It will be apparent that the relationships rest not only in the field of solar astronomy, but also in the following subjects: (1) physics - optics, electromagnetic spectrum, atomic structure, etc.; (2) chemistry - emission spectra, kinetic theory, X-ray absorption, etc.; (3) biology - radiation and dependence on the sun; (4) electronics - cathode ray tubes, detectors, photomultipliers, etc.; (5) photography; (6) astronomy; and (7) industrial arts.
Calculations which demonstrate a physically important four-atom exchange process in bodycentered cubic He crystal and thus an important four-spin term in the exchange Hamiltonian are discussed. A simple, mean-field analysis of this Hamiltonian appears to account for a number of the perplexing properties of bodycentered cubic He crystal. It is suggested that an understanding of other properties may require treatment of the exact four-spin term.
Calculations are reported which suggest that there is a physically important four-atom exchange process in bcc He-3 and an important four-spin term in the exchange Hamiltonian. A simple mean-field analysis of this Hamiltonian appears to account for a number of the perplexing properties of bcc He-3. An understanding of other properties may require treatment of the exact four-spin term.
Metals are described by physical appearance followed by atomic weight, atomic number, and valence. Data includes laboratory handling and safety procedures, heat transfer correlations, diffusion coefficients in liquid gallium/indium solution, melting and boiling points, thermal conductivity, heat capacity, and electrical resistivity.
Laser optical diagnostic techniques have proven to be effective for making physical measurements in hostile combustion environments. Two major and complementary approaches have been applied; namely, single event imaging and multi-signal detection methods. Single event imaging methods (e.g., pulsed laser holography) can provide the essentially instantaneous observation of physical events, e.g., fuel atomization, droplet breakup, particle and surface combustion, condensed phase formation, and flow field visualization. Multi-signal detection methods, which involve the processing of signals produced by the light scattered from the interaction of particles and/or droplets with an incident coherent ray, can provide information on flow velocity, turbulence, fluid shear stresses, and particle/droplet size and velocity. Recent results using both approaches are presented.
Due to delays in manifesting the return of the Long Duration Exposure Facility from space, attention was concentrated on extracting the maximum information from the EIOM-2 (oxygen interaction with materials experiment) flown on STS-8 in September 1983. An analysis was made of the optical surfaces exposed during that flight and an assessment made of the effect of the 5 eV atomic oxygen upon their physical and chemical properties. The surfaces studied were of two types: high-purity thin films sputtered or evaporated onto 2.54-cm diam lambda/20 fused silica optical flats, and highly polished bulk samples. Rapid etching of carbon and carbonaceous surfaces was observed with polycarbonate CR-39 showing the largest etch of any substrate flown and measured. Of the metals tested, only osmium and silver showed large effects, the former being heavily etched and the later forming a very thick layer of oxide. The first measurable effects on iridium, aluminum, nickel, tungsten and niobium thin films are reported.
This publication contains most of the papers, both invited and contributed, that were presented at the Workshop of Annihilation in Gases and Galaxies. This was the fifth in a biennial series associated with the International Conference on the Physics of Electronic and Atomic Collisions. Subjects covered included the scattering and annihilation of positrons and positronium atoms in various media, including those of astrophysical interest. In addition, the topics of antimatter and dark matter were covered.
Nonequilibrium phenomena in hypersonic flows are examined on the basis of theoretical models and selected experimental data, in an introduction intended for second-year graduate students of aerospace engineering. Chapters are devoted to the physical nature of gas atoms and molecules, transitions of internal states, the formulation of the master equation of aerothermodynamics, the conservation equations, chemical reactions in CFD, the behavior of air flows in nonequilibrium, experimental aspects of nonequilibrium flow, a review of experimental results, and gas-solid interaction. Diagrams, graphs, and tables of numerical data are provided.
A summary of the status of the Cross-section Facility at MSFC is presented. A facility was designed, fabricated, assembled, tested, and operated for measurement of differential scattering cross sections important to understand the induced environment for a vehicle (e.g., Space Station) in low earth orbit. A user's manual for the facility is also presented. The performance of the facility was evaluated and found to be satisfactory in all the essential areas. Differential scattering cross sections were measured and results for the scattering measurements are included. Input to the development of the Ultraviolet Imager Optical System is also discussed. Design, fabrication, and evaluation of UV filters using a four-layer aluminum base are reported.
Classical trajectory calculations of the cross sections for vibrational and rotational energy exchange in direct and reactive collisions of hydrogen atoms and hydrogen molecules have been carried out. To test the sensitivity, three potential energy surfaces have been used. For the exchange transitions which occur at small internuclear distances, the rate coefficients for the three surfaces agree quite well. For the direct transitions, there are significant differences for the pure rotational transitions from j=0 to 2 and from j=1 to j=3 in which there is no change in vibration. For higher j the differences tend to disappear, suggesting that the rotational angular momentum can couple to the orbital angular momentum to overcome the centrifugal barrier. Complete numerically exact quantum mechanical calculations for the process in which vJ changes have been performed. Dr. M. A'Hearn has provided data on the fluorescent population of the NH rotational and fine-structure levels from which we should be able to predict accurate photodissociation lifetimes. The distribution rate of C2 is being investigated. A review of H3(+) in terrestrial and extraterrestrial environments was prepared for a volume of Advances in Atomic, Molecular and Optical Physics.
The major emphasis of the current effort is in the development and validation of an efficient parallel machine computational model, based on the FDNS code, to analyze the fluid dynamics of a wide variety of liquid jet configurations for general liquid rocket engine injection system applications. This model includes physical models for droplet atomization, breakup/coalescence, evaporation, turbulence mixing and gas-phase combustion. Benchmark validation cases for liquid rocket engine chamber combustion conditions will be performed for model validation purpose. Test cases may include shear coaxial, swirl coaxial and impinging injection systems with combinations LOXIH2 or LOXISP-1 propellant injector elements used in rocket engine designs. As a final goal of this project, a well tested parallel CFD performance methodology together with a user's operation description in a final technical report will be reported at the end of the proposed research effort.
Who would have thought cosmic rays could be so hip? Although discovered 90 years ago on death-defying manned balloon flights hip even by twenty-first-century extremesport standards cosmic rays quickly lost popularity as way-cool telescopes were finding way-too-cool phenomena across the electromagnetic spectrum. Yet cosmic rays are back in vogue, boasting their own set of superlatives. Scientists are tracking them down with new resolve from the Arctic to Antarctica and even on the high western plains of Argentina. Theorists, too, now see cosmic rays as harbingers of funky physics. Cosmic rays are atomic and subatomic particles - the fastest moving bits of matter in the universe and the only sample of matter we have from outside the solar system (with the exception of interstellar dust grains). Lower-energy cosmic rays come from the Sun. Mid-energy particles come from stellar explosions - either spewed directly from the star like shrapnel, or perhaps accelerated to nearly the speed of light by shock waves. The highest-energy cosmic rays, whose unequivocal existence remains one of astronomy's greatest mysteries, clock in at a staggering 10(exp 19) to 10(exp 22) electron volts. This is the energy carried in a baseball pitch; seeing as how there are as many atomic particles in a baseball as there are baseballs in the Moon, that s one powerful toss. No simple stellar explosion could produce them. At a recent conference in Albuquerque, scientists presented the first observational evidence of a possible origin for the highest-energy variety. A team led by Elihu Boldt at NASA s Goddard Space Flight Center found that five of these very rare cosmic rays (there are only a few dozen confirmed events) come from the direction of four 'retired' quasar host galaxies just above the arm of the Big Dipper, all visible with backyard telescopes: NGC 3610, NGC 3613, NGC 4589, and NGC 5322. These galaxies are billions of years past their glory days as the brightest beacons in the universe. Yet they still harbor central, supermassive black holes, which could generate energetic particles if they are spinning.
Experimental and analytical analysis of the atomic oxygen erosion of pyrolytic graphite as well as Monte Carlo computational modeling of the erosion of Kapton H (DuPont, Wilmington, DE) polyimide was performed to determine the hyperthermal energy of low frequency (30 to 35 kHz) plasma ashers operating on air. It was concluded that hyperthermal energies in the range of 0.3 to 0.9 eV are produced in the low frequency air plasmas which results in texturing similar to that in low Earth orbit (LEO). Monte Carlo computational modeling also indicated that such low energy directed ions are fully capable of producing the experimentally observed textured surfaces in low frequency plasmas.