Search NASA⌕ Search

SEARCH · Search NASA

Results for “Classical and quantum mechanics”

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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

The graviton luminosity of the sun and other stars

Graviton production in electron-electron (e-e) and electron-ion (e-z) scattering is evaluated in the Born approximation. The calculation is compared with that for photon production, that is, Coulomb quadrupole bremsstrahlung, and a number of results are taken over from that problem. Application is made to the sun, and it is found that for the solar plasma the main contribution to the graviton luminosity comes from the central core at r/R approximately 0.1. The total luminosity (Lg) in gravitons is about 7.9 x 10 to the 14th ergs/s, close to an earlier estimate by Weinberg (1965, 1972); about 33 percent of the total results from e-e collisions with the rest from e-z collisions (mainly e-p and e-alpha). Approximate corrections to Born formulas are evaluated, and this Lg includes the associated (approximately + or - 10 percent, respectively) modification. The quantum-mechanical aspects of the solar Lg problem are discussed, and it is shown why a previous classical calculation overestimated Lg by about an order of magnitude. Production of gravitons in binary collisions in other types of stars is discussed briefly. It is found that Lg varies very little along the main sequence. White dwarfs have a typical graviton luminosity LWD approximately 10 to the 19th ergs/s, while neutron stars have LNS approximately 10 to the 25th ergs/s; these estimates are very rough.

Gould, R. J.↗
NASA NTRS1975

Vibration-translation energy transfer in anharmonic diatomic molecules. I - A comparative evaluation of the semiclassical approximation

The semiclassical approximation (quantum oscillator, classical path) is applied to anharmonic diatomic oscillators in excited initial states. Multistate numerical solutions giving the vibrational transition probabilities for collinear collisions with an inert atom are compared with equivalent, exact quantum-mechanical calculations. Several symmetrization methods are shown to correlate accurately the predictions of both theories for all initial states, transitions, and molecular types tested, but only if coupling of the oscillator motion and the classical trajectory of the incident particle is considered. In anharmonic heteronuclear molecules, the customary semiclassical method of computing the classical trajectory independently leads to transition probabilities with anomalous low-energy resonances. Proper accounting of the effects of oscillator compression and recoil on the incident particle trajectory removes the anomalies and restores the applicability of the semiclassical approximation.

Mckenzie, R. L.↗
NASA NTRS1988

Electronic excitation and quenching of atoms at insulator surfaces

A trajectory-based semiclassical method is used to study electronically inelastic collisions of gas atoms with insulator surfaces. The method provides for quantum-mechanical treatment of the internal electronic dynamics of a localized region involving the gas/surface collision, and a classical treatment of all the nuclear degrees of freedom (self-consistently and in terms of stochastic trajectories), and includes accurate simulation of the bath-temperature effects. The method is easy to implement and has a generality that holds promise for many practical applications. The problem of electronically inelastic dynamics is solved by computing a set of stochastic trajectories that on thermal averaging directly provide electronic transition probabilities at a given temperature. The theory is illustrated by a simple model of a two-state gas/surface interaction.

Swaminathan, P. K.↗
NASA NTRS1995

Exact, E = 0, classical and quantum solutions for general power-law oscillators

For zero energy, E = 0, we derive exact, classical and quantum solutions for all power-law oscillators with potentials V(r) = -gamma/r(exp nu), gamma greater than 0 and -infinity less than nu less than infinity. When the angular momentum is non-zero, these solutions lead to the classical orbits (p(t) = (cos mu(phi(t) - phi(sub 0)t))(exp 1/mu) with mu = nu/2 - 1 does not equal 0. For nu greater than 2, the orbits are bound and go through the origin. We calculate the periods and precessions of these bound orbits, and graph a number of specific examples. The unbound orbits are also discussed in detail. Quantum mechanically, this system is also exactly solvable. We find that when nu is greater than 2 the solutions are normalizable (bound), as in the classical case. Further, there are normalizable discrete, yet unbound, states. They correspond to unbound classical particles which reach infinity in a finite time. Finally, the number of space dimensions of the system can determine whether or not an E = 0 state is bound. These and other interesting comparisons to the classical system will be discussed.

Nieto, Michael Martin↗
NASA NTRS1971

Analytic expression for the energy-transfer rate from photoelectrons to thermal-electrons.

An analytic form is given for the energy-transfer rate from photoelectrons to thermal electrons. The expression fits the classical formulation of Itakawa and Aono (1966) at low energies and gives a smooth transition to fit the quantum mechanical equation of Schunk and Hays (1971) at higher energies. The corresponding loss function or stopping power has a form that is convenient in auroral and dayglow calculations.

Swartz, W. E.↗
NASA NTRS1972

Energy straggling and radiation reaction for magnetic bremsstrahlung.

Using the method of quantum electrodynamics, the energy distribution of particles and emitted photons is calculated for the case when increases in the average energy of the photon emitted by synchrotron radiation to values appreciable compared to the energy of the particle give rise to particle energy straggling and radiation spectrum broadening. The classical radiative reaction effects which may be tested in this type of experiment are outlined, and a detailed quantum mechanical calculation is presented. The significance of energy straggling in astrophysics is discussed briefly.

Shen, C. S.↗
NASA NTRS2013

Ultimate Limits to Resource Efficiency in Photonic Communication

We review resource-efficiency metrics for transferring classical information with photon, present an overview of the ultimate limits to photon and dimensional efficiency permitted by quantum mechanics, as well as that acheived with structured transmitter-receiver pairs.

background noise↗
NASA NTRS2002

Computational Nanomechanics of Carbon Nanotubes and Composites

Nanomechanics of individual carbon and boron-nitride nanotubes and their application as reinforcing fibers in polymer composites has been reviewed with interplay of theoretical modeling, computer simulations and experimental observations. The emphasis in this work is on elucidating the multi-length scales of the problems involved, and of different simulation techniques that are needed to address specific characteristics of individual nanotubes and nanotube polymer-matrix interfaces. Classical molecular dynamics simulations are shown to be sufficient to describe the generic behavior such as strength and stiffness modulus but are inadequate to describe elastic limit and nature of plastic buckling at large strength. Quantum molecular dynamics simulations are shown to bring out explicit atomic nature dependent behavior of these nanoscale materials objects that are not accessible either via continuum mechanics based descriptions or through classical molecular dynamics based simulations. As examples, we discus local plastic collapse of carbon nanotubes under axial compression and anisotropic plastic buckling of boron-nitride nanotubes. Dependence of the yield strain on the strain rate is addressed through temperature dependent simulations, a transition-state-theory based model of the strain as a function of strain rate and simulation temperature is presented, and in all cases extensive comparisons are made with experimental observations. Mechanical properties of nanotube-polymer composite materials are simulated with diverse nanotube-polymer interface structures (with van der Waals interaction). The atomistic mechanisms of the interface toughening for optimal load transfer through recycling, high-thermal expansion and diffusion coefficient composite formation above glass transition temperature, and enhancement of Young's modulus on addition of nanotubes to polymer are discussed and compared with experimental observations.

Srivastava, Deepak↗
NASA NTRS1987

Monocrystalline silicon gradiometer for gravity experiments in space

A very important research effort has been made in the last decade in the field of high precision measurement with laser instrumentation. The development of a space borne gradiometer operating at a high sensitivity level using laser measurement of the distance between proof mass over a short base line of order one meter is discussed. Two aspects of laser technology make it a promising tool for gradiometry measurements: quantum limited accuracy and absolute distance measurements. The quantum limit associated with laser instrumentation was formulated. The relevant quantum and classical sources of errors in laser measurements were reviewed and corresponding laser performance requirements for gradient measurements were evaluated. Some mechanical quality factor measurements were made on simple resonant monocrystalline silicon suspensions. It was discovered that the use of zero derivative restoring forces to position the gradiometer test masses will dramatically reduce the gradiometer temperature control requirements. A laser beam side injection scheme was discovered which permits rejection of common mode accelerations. These concepts are briefly discussed.

Richard, Jean-Paul↗
NASA NTRS1980

A new semiclassical decoupling scheme for electronic transitions in molecular collisions - Application to vibrational-to-electronic energy transfer

A new semiclassical decoupling scheme (the trajectory-based decoupling scheme) is introduced in a computational study of vibrational-to-electronic energy transfer for a simple model system that simulates collinear atom-diatom collisions. The probability of energy transfer (P) is calculated quasiclassically using the new scheme as well as quantum mechanically as a function of the atomic electronic-energy separation (lambda), with overall good agreement between the two sets of results. Classical mechanics with the new decoupling scheme is found to be capable of predicting resonance behavior whereas an earlier decoupling scheme (the coordinate-based decoupling scheme) failed. Interference effects are not exhibited in P vs lambda results.

Lee, H.-W.↗
NASA NTRS1976

Nonclassical acoustics

A statistical approach to sound propagation is considered in situations where, due to the presence of large gradients of properties of the medium, the classical (deterministic) treatment of wave motion is inadequate. Mathematical methods for wave motions not restricted to small wavelengths (analogous to known methods of quantum mechanics) are used to formulate a wave theory of sound in nonuniform flows. Nonlinear transport equations for field probabilities are derived for the limiting case of noninteracting sound waves and it is postulated that such transport equations, appropriately generalized, may be used to predict the statistical behavior of sound in arbitrary flows.

Kentzer, C. P.↗
NASA NTRS2000

2D Quantum Mechanical Study of Nanoscale MOSFETs

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25, 50 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. Surprisingly, the self-consistent potential profile shows lower injection barrier in the channel in quantum case. These results are qualitatively consistent with ID Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Svizhenko, Alexei↗
NASA NTRS1984

Appearance of gauge structure in simple dynamical systems

By generalizing a construction of Berry and Simon, it is shown that non-Abelian gauge fields arise in the adiabatic development of simple quantum mechanical systems. Characteristics of the gauge fields are related to energy splittings, which may be observable in real systems. Similar phenomena are found for suitable classical systems.

Wilczek, F.↗
NASA NTRS1983

Space radiation interaction mechanisms in materials

Models of charged-particle impact under conditions typical of the space environment are reported, with a focus on impact excitation and nuclear reactions, especially for heavy ions. Impact excitation is studied by using a global model for electronic excitation based on formal relations through the classical dielectric function to derive an approximation related to the local plasma (electron density distribution) within the atoms and molecules; and corrections to the model resulting from the nonfluid nature of this plasma are discussed. Nuclear reactions are studied by reducing quantum-mechanical treatment of this general N-body problem to an equivalent two-body problem that is solvable, and by comparing the results with experimental data. The equations for heavy-charged-particle transport are derived and solution techniques demonstrated. Finally, these methods of analysis are applied to study the change in the electrical properties of a GaAs semiconductor for photovoltaic applications; proton damage to GaAs crystals is found to arise from stable replacement defects and to be nonannealable, in contrast to electron-induced damage.

Wilson, J. W.↗
NASA NTRS1991

The energy separation between the classical and nonclassical isomers of protonated acetylene - An extensive study in one- and n-particle space saturation

The energy separation between the classical and nonclassical forms of protonated acetylene has been reinvestigated in light of the recent experimentally deduced lower bound to this value of 6.0 kcal/mol. The objective of the present study is to use state-of-the-art ab initio quantum mechanical methods to establish this energy difference to within chemical accuracy (i.e., about 1 kcal/mol). The one-particle basis sets include up to g-type functions and the electron correlation methods include single and double excitation coupled-cluster (CCSD), the CCSD(T) extension, multireference configuration interaction, and the averaged coupled-pair functional methods. A correction for zero-point vibrational energies has also been included, yielding a best estimate for the energy difference between the classical and nonclassical forms of 3.7 + or - 1.3 kcal/mol.

Lindh, Roland↗
NASA NTRS1993

HZE reactions and data-base development

The primary cosmic rays are dispersed over a large range of linear energy transfer (LET) values and their distribution over LET is a determinant of biological response. This LET distribution is modified by radiation shielding thickness and shield material composition. The current uncertainties in nuclear cross sections will not allow the composition of the shield material to be distinguished in order to minimize biological risk. An overview of the development of quantum mechanical models of heavy ion reactions will be given and computational results compared with experiments. A second approach is the development of phenomenological models from semi-classical considerations. These models provide the current data base in high charge and energy (HZE) shielding studies. They will be compared with available experimental data. The background material for this lecture will be available as a review document of over 30 years of research at Langley but will include new results obtained over the last year.

Townsend, Lawrence W.↗
NASA NTRS2000

2D Quantum Simulation of MOSFET Using the Non Equilibrium Green's Function Method

The objectives this viewgraph presentation summarizes include: (1) the development of a quantum mechanical simulator for ultra short channel MOSFET simulation, including theory, physical approximations, and computer code; (2) explore physics that is not accessible by semiclassical methods; (3) benchmarking of semiclassical and classical methods; and (4) study other two-dimensional devices and molecular structure, from discretized Hamiltonian to tight-binding Hamiltonian.

Svizhenko, Alexel↗
NASA NTRS1975

A new approach to radiative transfer theory using Jones's vectors. I Fundamentals

Radiative transfer of partially polarized radiation in an anisotropically scattering, inhomogeneous atmosphere containing an arbitrary polydispersion of particles is described using Jones's (1941) amplitude vectors and matrices. This approach exploits the close analogy between the quantum-mechanical states of spin 1/2 systems and the polarization states of electromagnetic radiation described by Jones's vector. The complete equivalence between the transport equation for Jones's vectors and the classical radiative-transfer equation for Stokes's intensity vectors is demonstrated in two independent ways after deriving the transport equations for the polarization coherency matrices and for the quaternions corresponding to the Jones's vectors. A compact-operator formulation of the theory is provided and used to derive the necessary equations for both a local and a global description of the transport of Jones's vectors. The integro-differential equations for the amplitude reflection and transmission matrices are derived and related to the usual corresponding equations.

Fymat, A. L.↗