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At least 1,567 records · Page 87

Inter-Oligomer Interaction Influence on Photoluminescence in Cis-Polyacetylene Semiconductor Materials

Semiconducting conjugated polymers (CPs) are pivotal in advancing organic electronics, offering tunable properties for solar cells and field-effect transistors. Here, we carry out first-principle calculations to study individual cis-polyacetylene (cis-PA) oligomers and their ensembles. The ground electronic structures are obtained using density functional theory (DFT), and excited state dynamics are explored by computing nonadiabatic couplings (NACs) between electronic and nuclear degrees of freedom. We compute the nonradiative relaxation of charge carriers and photoluminescence (PL) using the Redfield theory. Our findings show that electrons relax faster than holes. The ensemble of oligomers shows faster relaxation compared to the single oligomer. The calculated PL spectra show features from both interband and intraband transitions. The ensemble shows broader line widths, redshift of transition energies, and lower intensities compared to the single oligomer. This comparative study suggests that the dispersion forces and orbital hybridizations between chains are the leading contributors to the variation in PL. It provides insights into the fundamental behaviors of CPs and the molecular-level understanding for the design of more efficient optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bayesian Inference of the Symmetry Energy of Superdense Neutron-rich Matter from Future Radius Measurements of Massive Neutron Stars

In this work, using as references the posterior probability distribution functions of the equation of state (EOS) parameters inferred from the radii of canonical neutron stars (NSs) reported by the LIGO/VIRGO and NICER Collaborations based on their observations of GW170817 and PSR J0030+0451, we investigate how future radius measurements of more massive NSs will improve our current knowledge about the EOS of superdense neutron-rich nuclear matter, especially its symmetry energy term. Within the Bayesian statistical approach using an explicitly isospin-dependent parametric EOS for the core of NSs, we infer the EOS parameters of superdense neutron-rich nuclear matter from three sets of imagined mass–radius correlation data representing typical predictions by various nuclear many-body theories, that is, the radius stays the same, decreases, or increases with increasing NS mass within ±15% between 1.4 and 2.0 M$_\odot$. The corresponding NS average density increases quickly or slowly or slightly decreases as the NS mass increases from 1.4 to 2.0 M$_\odot$. While the EOSs of symmetric nuclear matter (SNM) inferred from the three data sets are approximately the same, the corresponding symmetry energies above about twice the saturation density of nuclear matter are very different, indicating that the radii of massive NSs carry important information about the high-density behavior of nuclear symmetry energy with little influence from the remaining uncertainties of the SNM EOS at suprasaturation densities.

79 ASTRONOMY AND ASTROPHYSICS↗

Reachable sets for linear dynamical systems.

The properties of reachable sets for linear dynamical systems for specified control sets are discussed. Iterative procedures for determining numerical approximations of the reachable set are suggested and methods of obtaining an admissible control function which transfers an initial state to as near a prescribed target as possible is described. The problem of reachability with multiple control constraints is discussed and certain aspects of reachability for time-invariant systems with adjustable parameters is considered.

Pecsvaradi, T.↗

Nuclear air cushion vehicles.

This paper serves several functions. It identifies the 'state-of-the-art' of the still-conceptual nuclear air cushion vehicle, particularly the nuclear powerplant. Using mission studies and cost estimates, the report describes some of the advantages of nuclear power for large air cushion vehicles. The paper also summarizes the technology studies on mobile nuclear powerplants and conceptual ACV systems/missions studies that have been performed at NASA Lewis Research Center.

Anderson, J. L.↗

Propagation of cosmic rays in the galaxy

The characteristics of a model for analyzing the propagation of cosmic rays are discussed. The requirements for analyzing the relevant observational data on cosmic rays are defines as: (1) the chemical and isotopic composition of cosmic rays as a function of energy, (2) the flux and energy spectrum of the individual nucleonic components, (3) the flux and energy spectrum of the electronic component, (4) the cosmic ray prehistory, and (5) the degree of isotropy in their arrival directions as a function of energy. It is stated that the model which has been able to bring to pass the greatest measure of success is the galactic confinement model.

Daniel, R. R.↗

Utility of Space Transportation System to Space Communication Community

A potentially cost effective technique was investigated of launching operational satellites into synchronous orbit using the space transportation system (STS). This technique uses an unguided spinning solid rocket motor as the means for boosting a satellite from a low altitude shuttle parking orbit into a synchronous transfer orbit. The spacecraft is then injected into a geosynchronous orbit by an apogee kick motor fired at transfer orbit apogee. The approach is essentially that used on all Delta and Atlas-Centaur launches of synchronous satellites with the shuttle orbiter performing the function of the first two stages of the Delta three stage launch vehicle and the perigee kick motor performing the function of the Delta third state. It is concluded that the STS can be useful to the space communication community as well as to other geostationary satellite system users if the recommended actions are implemented.

Bronstein, L. M.↗

Total Born approximation cross sections for single electron loss by atoms and ions colliding with atoms

The first born approximation (FBA) is applied to the calculation of single electron loss cross sections for various ions and atoms containing from one to seven electrons. Screened hydrogenic wave functions were used for the states of the electron ejected from the projectile, and Hartree-Fock elastic and incoherent scattering factors were used to describe the target. The effect of the target atom on the scaling of projectile ionization cross sections with respect to the projectile nuclear charge was explored in the case of hydrogen-like ions. Scaling of the cross section with respect to the target nuclear charge for electron loss by Fe (+25) in collision with neutral atoms ranging from H to Fe is also examined. These results were compared to those of the binary encounter approximation and to the FBA for the case of ionization by completely stripped target ions.

Rule, D. W.↗

Total Born-approximation cross sections for single-electron loss by atoms and ions colliding with atoms

The first Born approximation (FBA) is applied to the calculation of single-electron-loss cross sections for various ions and atoms containing from one to seven electrons. Screened hydrogenic wave functions are used for the states of the electron ejected from the projectile, and Hartree-Fock elastic and incoherent scattering factors are used to describe the target. The effect of the target atom on the scaling of projectile ionization cross sections with respect to the projectile nuclear charge is explored in the case of hydrogenlike ions. Also examined is the scaling of the cross section with respect to the target nuclear charge for electron loss by Fe(25+) in collision with neutral atoms ranging from H to Fe. These results are compared with those of the binary-encounter approximation (BEA) and with the FBA for the case of ionization by completely stripped target ions. Electron-loss cross sections are also calculated for the ions O(i+) (i = 3-7) and N(i+) (i = 0-6) in collision with He targets in the energy range of approximately 0.1 to 100 MeV/nucleon. These results are found to be in excellent agreement with the available data near the peak of the ionization cross section.

Rule, D. W.↗

The N-BOD2 user's and programmer's manual

A general purpose digital computer program was developed and designed to aid in the analysis of spacecraft attitude dynamics. The program provides the analyst with the capability of automatically deriving and numerically solving the equations of motion of any system that can be modeled as a topological tree of coupled rigid bodies, flexible bodies, point masses, and symmetrical momentum wheels. Two modes of output are available. The composite system equations of motion may be outputted on a line printer in a symbolic form that may be easily translated into common vector-dyadic notation, or the composite system equations of motion may be solved numerically and any desirable set of system state variables outputted as a function of time.

Frisch, H. P.↗

Forbidden lines of np/q/ ions. I - Detailed balance and line intensity ratios

The detailed balance equations are solved in the ground state terms of 37 ions of C, N, O, Ne, Mg, Si, S and Fe; atomic data for 235 transitions of these ions are tabulated, and 14 line ratios of q = 2,4 ions and eight line ratios of q = 3 ions are graphed. Forbidden emission lines of these ions are in the far and near UV, visible, and near and far IR regions of the spectrum. In addition, detailed calculations of the relative populations of the levels of the ground state are presented as a function of temperature and density.

Kafatos, M.↗

Modeling and Analysis of Power Processing Systems (MAPPS). Volume 2: Appendices

The computer programs and derivations generated in support of the modeling and design optimization program are presented. Programs for the buck regulator, boost regulator, and buck-boost regulator are described. The computer program for the design optimization calculations is presented. Constraints for the boost and buck-boost converter were derived. Derivations of state-space equations and transfer functions are presented. Computer lists for the converters are presented, and the input parameters justified.

Lee, F. C.↗

Rate processes in gas phase

Reaction-rate theory and experiment are given a critical review from the engineers' point of view. Rates of heavy-particle, collision-induced reaction in gas phase are formulated in terms of the cross sections and activation energies for reaction. The effect of cross section function shape and of excited state contributions to reaction both cause the slope of Arrhenius plots to differ from the true activation energy, except at low temperature. The master equations for chemically reacting gases are introduced, and dissociation and ionization reactions are shown to proceed primarily from excited states about kT from the dissociation or ionization limit. Collision-induced vibration, vibration-rotation, and pure rotation transitions are treated, including three-dimensional effects and conservation of energy, which have usually been ignored. The quantum theory of transitions at potential surface crossing is derived, and results are found to be in fair agreement with experiment in spite of some questionable approximations involved.

Hansen, C. F.↗

HYTESS: A hypothetical turbofan engine simplified simulation

A users manual for a hypothetical turbofan engine simplified simulation is presented. This digital simulation exists as FORTRAN source code. The program is self-contained and was developed to offer those interested in engine dynamics and controls research an efficient, realistic, and easily used engine simulation. The engine is modeled using a state space formulation. Matrix elements within the linear state space structure are nonlinear functions of various engine variables.

Merrill, W. C.↗

Oscillating dynamo magnetic field in the presence of an external nondynamo field - The influence of a solar primordial field

Dynamo magnetic fields are self-excited and, once started, can perpetrate themselves with no outside source of magnetic flux, as long as the necessary fluid motions persist. Such dynamo fields behave completely independently of the field's overall polarity. In the presence of an external field of separate origin this polarity symmetry of the dynamo states is broken; the dynamo states become asymmetric with respect to polarity. In this paper a calculation is performed of the characteristics of a spherical shell dynamo in the presence of a fossil magnetic field penetrating into the dynamo from below. The asymmetric periodic states are found as a function of the strength of underlying fossil field. Applying these results to the sun, there appears to be no evidence of any intense large-scale primordial magnetic flux, having either dipole-like or quadrupole-like symmetry about the sun's equator, penetrating into the convection zone from the sun's radiative core. Indeed, the calculations indicate, even on the basis of the presently crude observations, that any such primordial field must have an intensity smaller than a few gauss.

Boyer, D. W.↗