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Results for “zero energy state”

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.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

On the contribution of intramolecular zero point energy to the equation of state of solid H2

Experimental evidence shows that the internal zero-point energy of the H2 molecule exhibits a relatively strong pressure dependence in the solid as well as changing considerably upon condensation. It is shown that these effects contribute about 6% to the total sublimation energy and to the pressure in the solid state. Methods to modify the ab initio isolated pair potential to account for these environmental effects are discussed.

Chandrasekharan, V.↗
NASA NTRS1989

Magnetic dynamo activity in mechanically driven compressible magnetohydrodynamic turbulence

Magnetic dynamo activity in a homogeneous, dissipative, polytropic, two-dimensional, turbulent magneto-fluid is simulated numerically. The magneto-fluid is simulated numerically. The magneto-fluid is, in a number of cases, mechanically forced so that energy input balances dissipation, thereby maintaining constant energy. In the presence of a mean magnetic field, a magneto-fluid whose initial turbulent magnetic energy is zero quickly arrives at a state of non-zero turbulent magnetic energy. If the mean magnetic field energy density is small, the turbulent magnetic field can achieve a local energy density more than four hundred times larger; if the mean magnetic field energy density is large, then equipartition between the turbulent magnetic and kinetic energy is achieved. Compared to the presence of a mean magnetic field, compressibility appears to have only a marginal effect in mediating the transfer of turbulent kinetic energy into magnetic energy.

Shebalin, John V.↗
NASA NTRS2019

A Model for Energy Buildup and Eruption Onset in Coronal Mass Ejections

Coronal mass ejections (CMEs) and eruptive flares (EFs) are the most energetic explosions in the solar system. Their underlying origin is the free energy that builds up slowly in the sheared magnetic field of a filament channel. We report the first end-to-end numerical simulation of a CME/EF, from zero-free-energy initial state through filament channel formation to violent eruption, driven solely by the magnetic-helicity condensation process. Helicity is the topological measure of linkages between magnetic flux systems, and is conserved in the corona, building up inexorably until it is ejected into interplanetary space. Numerous investigations have demonstrated that helicity injected by small-scale vortical motions, such as those observed in the photosphere, undergoes an inverse cascade from small scales to large, “condensing” at magnetic-polarity boundaries. Our new results verify that this process forms a filament channel within a compact bipolar region embedded in a background dipole field, and show for the first time that a fast CME eventually occurs via the magnetic-breakout mechanism. We further show that the trigger for explosive eruption is reconnection onset in the flare current sheet that develops above the polarity inversion line: this reconnection forms flare loops below the sheet and a CME flux rope above, and initiates high-speed outward flow of the CME. Our findings have important implications for magnetic self organization and explosive behavior in solar and other astrophysical plasmas, as well as for understanding and predicting explosive solar activity.

filaments↗
NASA NTRS1991

The structure and energetics of the HCN-HNC transition state

The optimum geometries and quadratic force constants of HCN, HNC and the transition state connecting them have been determined at the single- and double-excitation coupled-cluster (CCSD) and CCSD(T) levels of theory. Energy differences were evaluated using the CCSD and CCSD(T) methods in conjunction with large atomic natural orbital basis sets containing g-type basis functions on the heavy atoms and f-type functions on hydrogen. The most reliable structure obtained for the transition state has bond distances of 1.194, 1.188, and 1.389 A for r(CN), r(CH), and r(NH), respectively. Including a correction for zero-point vibrational energies, the transition state is predicted to be 44.6 + or - 1.0 kcal/mol above the HCN isomer, while HNC is predicted to be 14.4 + or - 1.0 kcal/mol above HCN. The latter value is in excellent agreement with the most recent experimental determination (14.8 + or - 2.0 kcal/mol).

Lee, Timothy J.↗
NASA NTRS1989

Pulsed, high-current, in-line reversal electron attachment detector

A new, pulsed, high-current, in-line reversal electron attachment ionizer/detector is described. The ionizer is capable of delivering a beam of electrons into an electrostatic mirror field to form a planar wall of electrons having zero kinetic energy. Electron attachment to a molecular target at the reversal point produces either parent or fragment negative ions through a zero-energy (s-wave) state. The atomic or molecular ion is pulsed out of the attachment region approximately 2 microsec after the electrons are pulsed off, and focused onto the entrance plane of a quadrupole mass analyzer. The sensitivity of the apparatus is preliminarily assessed, and its higher-energy behavior with regard to molecular attachment and ionization is described.

Bernius, Mark T.↗
NASA NTRS1979

Two-dimensional magnetohydrodynamic turbulence - Cylindrical, non-dissipative model

Incompressible magnetohydrodynamic turbulence is treated in the presence of cylindrical boundaries which are perfectly conducting and rigidly smooth. The model treated is non-dissipative and two-dimensional, the variation of all quantities in the axial direction being ignored. Equilibrium Gibbs ensemble predictions are explored assuming the constraint of constant axial current (appropriate to tokamak operation). No small-amplitude approximations are made. The expectation value of the turbulent kinetic energy is found to approach zero for the state of maximum mean-square vector potential to energy ratio. These are the only states for which large velocity fluctuations are not expected.

Montgomery, D.↗
NASA NTRS1999

Transmission Through Carbon Nanotubes with Polyhedral Caps

We study electron transport between capped carbon nanotubes and a substrate, and relate this transport to the local density of states in the cap. Our results show that that the transmission probability mimics the behavior of the density of states at all energies except those that correspond to localized states. For a capped carbon nanotube that is not connected to a substrate, the localized states do not couple to the coexisting continuum states. However, close proximity of a substrate causes hybridization between these states. As a result, new transmission paths open from substrate states to nanotube continuum states via the localized states in the cap. We show that the interference between various paths gives rise to transmission antiresonances with the minimum equal to zero at the energy of the localized state. The presence of defects in the tube places close to the cap transforms antiresonances into resonances. Depending on the spatial position of defects, these resonant states are capable of carrying a large current. The results of this paper are of relevance to carbon nanotube based studies on molecular electronics and probe tip applications.

Anantram, M. P.↗
NASA NTRS1983

Low energy electron magnetometer using a monoenergetic electron beam

A low energy electron beam magnetometer utilizes near-monoenergetic electrons thereby reducing errors due to electron energy spread and electron nonuniform angular distribution. In a first embodiment, atoms in an atomic beam of an inert gas are excited to a Rydberg state and then electrons of near zero energy are detached from the Rydberg atoms. The near zero energy electrons are then accelerated by an electric field V(acc) to form the electron beam. In a second embodiment, a filament emits electrons into an electrostatic analyzer which selects electrons at a predetermined energy level within a very narrow range. These selected electrons make up the electron beam that is subjected to the magnetic field being measured.

Singh, J. J.↗
NASA NTRSDate not supplied

Higher-Order Approximations for Stabilizing Zero-Energy Modes in Peridynamics Crystal Plasticity Models with Large Horizon Interactions

The non-ordinary state-based peridynamics theory combines non-local dynamic techniques with a desirable correspondence material principle, allowing for the use of continuum mechanics constitutive models. Such an approach presents a unique capability for solving problems involving discontinuities (e.g., strain localization, fracture, and fragmentation). However, the correspondence-based peridynamics models often suffer from zero-energy mode instabilities in numerical implementation, primarily due to the approximations of the non-local deformation gradient tensor. This paper focuses on a computational scheme for eliminating the zero-energy mode oscillations using a choice of influence functions that improve the truncation error in a higher-order Taylor series expansion of the deformation gradient. The novelty here is a tensor-based derivation of the linear constraint equations, which can be used to systematically identify the particle interaction weight functions for various user-specified horizon radii. In this paper, the proposed higher-order stabilization scheme is demonstrated for multi-dimensional examples involving polycrystalline and composite microstructures, along with comparisons against conventional finite element methods. The proposed stabilization scheme is shown to be highly effective in suppressing the spurious zero-energy mode oscillations in all numerical examples while enabling efficient simulations of strain localizations across material interfaces.

Non-Ordinary State-Based Peridynamics↗
NASA NTRS1993

Uncertainty relations, zero point energy and the linear canonical group

The close relationship between the zero point energy, the uncertainty relations, coherent states, squeezed states, and correlated states for one mode is investigated. This group-theoretic perspective enables the parametrization and identification of their multimode generalization. In particular the generalized Schroedinger-Robertson uncertainty relations are analyzed. An elementary method of determining the canonical structure of the generalized correlated states is presented.

Sudarshan, E. C. G.↗
NASA NTRS1976

Decomposition of the photoabsorption Schumann-Runge continuum in O2

The photoabsorption Schumann-Runge continuum in O2 has been decomposed into the contribution from states of both valence and Rydberg character. The decomposition of the experimental photoabsorption (or high-energy, zero-angle, electron energy-loss) data contains contributions from three valence states, four Rydberg states, and one state of unknown character. Information on the perturbed valence-state potential-energy curves in the Franck-Condon region obtained by this analysis substantiate the recent theoretical conclusions of strong valence-Rydberg perturbations in the 8-12 eV excitation region. There is presently no unambiguous identification for the state at 8.93 plus or minus 0.04 eV, found in the optical and all the electron energy-loss data.

Cartwright, D. C.↗
NASA NTRS1992

Resonant Compton cooling and annihilation line production in gamma-ray bursts

Attention is given to a synchrotron self-Compton emission model for gamma-ray bursts which produces narrow annihilation features for a variety of field strengths, primary electron injection energies, and injection rates. In this model, primary electrons are injected and cooled by synchrotron emission in a strong, homogeneous magnetic field, resulting in a pair cascade. Multiple resonant scattering with cyclotron photons efficiently traps and cools pairs in the ground state to an average energy where the Compton energy loss rate is zero, which is in agreement with previous estimates of a Compton temperature. The particle distributions in the ground state are determined by numerically solving the Fokker-Planck equation in the steady state. In the case of isotropic injection of primary electrons, a significant narrow-line feature appears in the overall emission. In the case of beamed injection, the annihilation line is broadened to the extent that it would not be observable.

Preece, R. D.↗
NASA NTRS1992

Of narrow lines and beaming in the strong-field SSC emission model

The synchrotron self-Compton (SSC) emission model for gamma-ray bursts is capable of producing narrow line features for a variety of modelled field strengths, primary electron injection distributions and burst luminosities. Multiple resonant scattering with synchrotron continuum photons efficiently traps and cools pairs in the ground state to an average energy where the Compton energy loss rate is zero. Annihilation between pairs in these cooled distributions can be very efficient. For isotropic injection of primary electrons, there is an anti-correlation of the intensity of the angular-binned emission between the portions of the continuum spectrum below the cyclotron peak and above the annihilation line feature. Small-angle emission dominates the continuum above the annihilation line feature and is smooth through the line up to the pair production cut-off, which can be above several MeV for small enough angles. The angle-averaged annihilation line is made of components which can have peak emission centered at energies away from 511 keV, due to Doppler shifting. For beamed injection,the annihilation line breaks up into relatively narrow components in the angular emission, which sum into a broad feature in the angle-averaged emission.

Preece, Robert D.↗
NASA NTRS1977

Chemiluminescent reactions of sulfur /3P2/ atoms in cryogenic matrices - S + O2 yields SO2 /a3 B1/

Results are reported for thermoluminescence studies of reactions of sulfur atoms in cryogenically deposited solid argon through in situ photolysis of OCS. Analysis of the thermoluminescence spectrum that resulted from photolysis and heating of matrices in which O2 was codeposited with an OCS/Ar mixture shows that the emitter contained oxygen derived from the added O2 and that little SO2 accumulated during photolysis. The observed absence of thermoluminescence or fluorescence in either of the allowed transitions of excited SO2 is taken as definitive evidence that ground-state sulfur atoms can insert into the oxygen molecule with effectively zero activation energy.

Long, S. R.↗
NASA NTRS1978

On the ground state of metallic hydrogen

A proposed liquid ground state of metallic hydrogen at zero temperature is explored and a variational upper bound to the ground state energy is calculated. The possibility that the metallic hydrogen is a liquid around the metastable point (rs = 1.64) cannot be ruled out. This conclusion crucially hinges on the contribution to the energy arising from the third order in the electron-proton interaction which is shown here to be more significant in the liquid phase than in crystals.

Chakravarty, S.↗
NASA NTRS1993

The nature and role of quantized transition states in the accurate quantum dynamics of the reaction O + H2 yields OH + H

Accurate quantum mechanical dynamics calculations are reported for the reaction probabilities of O(3P) + H2 yields OH + H with zero total angular momentum on a single potential energy surface. The results show that the reactive flux is gated by quantized transition states up to the highest energy studied, which corresponds to a total energy of 1.90 eV. The quantized transition states are assigned and compared to vibrationally adiabatic barrier maxima; their widths and transmission coefficients are determined; and they are classified as variational, supernumerary of the first kind, and supernumerary of the second kind. Their effects on state-selected and state-to-state reactivity are discussed in detail.

Chatfield, David C.↗
NASA NTRS1995

Low-frequency variability and wavenumber selection in models with zonally symmetric forcing

The authors consider a two-layer quasigeostrophic model with linear surface drag and forcing that relaxes to a zonal baroclinically unstable equilibrium state consisting of a meridionally confined temperature gradient. It is observed that the most energetic wave in the time-mean climate has near zero frequency and is not driven by upscale nonlinear energy transfers. This wave has a zonal scale near the long-wave cutoff of the equilibrium state, and its energy balance is mainly between baroclinic generation and dissipation. This maintenance mechanism is different from that suggested by beta-plane, two-dimensional, and quasigeostrophic turbulence arguments and may be relevant to the dynamics of zonally asymmetric low-frequency variability in the atmosphere, particularly in the Southern Hemisphere.

Whitaker, Jeffrey S.↗