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Sample records for energy deposition time-dependent

  1. Status Report on the Modeling of TRISO Energy Deposition, Time-Dependent Temperature Field and Doppler Feedback

    SciTech Connect

    Javier Ortensi; Abderrafi M Ougouag

    2009-07-01

    The Doppler feedback mechanism is a major contributor to the passive safety of gas-cooled, graphite-moderated high temperature reactors that use fuel based on Tristructural-Isotropic coated particles. It follows that the correct prediction of the magnitude and time-dependence of this feedback effect is essential to the conduct of safety analyses for these reactors. We present a fuel conduction model for obtaining better estimates of the temperature feedback during moderate and fast transients. The fuel model has been incorporated in the CYNOD-THERMIX-KONVEK suite of coupled codes as a single TRISO particle within each calculation cell. The heat generation rate is scaled down from the neutronic solution and a Dirichlet boundary condition is imposed as the bulk graphite temperature from the thermal-hydraulic solution. This simplified approach yields similar results to those obtained with more complex methods, requiring multi-TRISO calculations within one control volume, but with much less computational effort. We provide an analysis of the hypothetical total control ejection event in the PBMR-400 design that clearly depicts the improvement in the predictions of the fuel temperature.

  2. Energy equipartitioning in the classical time-dependent Hartree approximation

    NASA Astrophysics Data System (ADS)

    Straub, John E.; Karplus, Martin

    1991-05-01

    In the classical time-dependent Hartree approximation (TDH), the dynamics of a single molecule is approximated by that of a ``field'' (each field being N ``copies'' of the molecule which are transparent to one another while interacting with the system via a scaled force). It is shown that when some molecules are represented by a field of copies, while other molecules are represented normally, the average kinetic energy of the system increases linearly with the number of copies and diverges in the limit of large N. Nevertheless, the TDH method with appropriate energy scaling can serve as a useful means of enhancing the configurational sampling for problems involving coupled systems with disparate numbers of degrees of freedom.

  3. Time dependence of energy storage across multiple ecosystems

    NASA Astrophysics Data System (ADS)

    Reed, D. E.; Frank, J. M.; Ewers, B. E.; Desai, A. R.

    2015-12-01

    Energy flow through ecosystems plays a critical role in processes at multiple spatial and temporal scales, from monthly growing season length of landscapes to sub-diurnal responses of soil respiration to temperature, photosynthesis and water inputs. The interaction of solar radiation and ecosystems is complex with terrestrial canopies and aquatic structure both connecting above- and below-ground processes via energy fluxes. Previous work by Leuning et al has shown that at 30-minute timescales, only 8% of eddy covariance sites in the La Thuile dataset observe energy closure and when averaged to 24-hour timescales, this goes up to 45%. This work examines the effect of temporal lags in energy storage in both terrestrial (shrub and forest) and aquatic (lake) ecosystems. Analyses show energy storage terms have unique temporal lags that vary between ecosystem and time of year, from having zero lag to several hour timescales within terrestrial ecosystems, depending primarily on water content. Large differences between ecosystem types are also highlighted as aquatic ecosystems have lags that range between daily and monthly timescales. Furthermore, ecosystem disturbance can alter time lags as well and results from a native bark beetle disturbance show vegetation lag decreasing while soil lag increasing following changes in water content. Energy storage lags can improve site energy closure by several percent, and these results will lead to a better understanding of surface energy budget closure, an as-of-yet unresolved issue in the flux community, as well as highlighting the importance of time-dependency of ecosystem energy fluxes as a unique method to examine ecosystem processes.

  4. Distributed energy storage: Time-dependent tree flow design

    NASA Astrophysics Data System (ADS)

    Bejan, A.; Ziaei, S.; Lorente, S.

    2016-05-01

    This article proposes "distributed energy storage" as a basic design problem of distributing energy storage material on an area. The energy flows by fluid flow from a concentrated source to points (users) distributed equidistantly on the area. The flow is time-dependent. Several scenarios are analyzed: sensible-heat storage, latent-heat storage, exergy storage vs energy storage, and the distribution of a finite supply of heat transfer surface between the source fluid and the distributed storage material. The chief conclusion is that the finite amount of storage material should be distributed proportionally with the distribution of the flow rate of heating agent arriving on the area. The total time needed by the source stream to "invade" the area is cumulative (the sum of the storage times required at each storage site) and depends on the energy distribution paths and the sequence in which the users are served by the source stream. Directions for future designs of distributed storage and retrieval are outlined in the concluding section.

  5. Time-Dependent Dark Energy Density and Holographic DE Model with Interaction

    NASA Astrophysics Data System (ADS)

    Saadat, H.; Saadat, A. M.

    2011-05-01

    In this article we consider holographic dark energy model with interaction and space curvature. We calculate cosmic scale factor by using the time-dependent dark energy density. Then we obtain phenomenological interaction between holographic dark energy and matter.

  6. Low-energy fusion dynamics of weakly bound nuclei: A time dependent perspective

    NASA Astrophysics Data System (ADS)

    Diaz-Torres, A.; Boselli, M.

    2016-05-01

    Recent dynamical fusion models for weakly bound nuclei at low incident energies, based on a time-dependent perspective, are briefly presented. The main features of both the PLATYPUS model and a new quantum approach are highlighted. In contrast to existing timedependent quantum models, the present quantum approach separates the complete and incomplete fusion from the total fusion. Calculations performed within a toy model for 6Li + 209Bi at near-barrier energies show that converged excitation functions for total, complete and incomplete fusion can be determined with the time-dependent wavepacket dynamics.

  7. Quantum dynamics of H2+ in intense laser fields on time-dependent potential energy surfaces.

    PubMed

    Garg, Manish; Tiwari, Ashwani K; Mathur, Deepak

    2012-08-30

    We have exploited the fully time-dependent Born-Oppenheimer approximation to develop time-dependent potential energy surfaces for the lowest two states of H(2)(+) in the presence of intense, time-varying, few-cycle laser fields of 2-8 fs duration. Quantum dynamics are explored on these field-dressed, time-dependent potentials. Our results show that the potential well in the lowest-energy state of H(2)(+) (i) collapses as the laser pulse reaches its peak amplitude and (ii) regains its form on the trailing edge of the pulse, and (iii) the trapped nuclear wavepacket has a higher probability of leaking out from the well in the case of longer laser pulses. The carrier envelope phase is found to have negligible effect on the nuclear dynamics.

  8. Simulating Time-Dependent Energy Transfer Between Crossed Laser Beams in an Expanding Plasma

    SciTech Connect

    Hittinger, J F; Dorr, M R; Berger, R L; Williams, E A

    2004-10-11

    A coupled mode system is derived to investigate a three-wave parametric instability leading to energy transfer between co-propagating laser beams crossing in a plasma flow. The model includes beams of finite width refracting in a prescribed transverse plasma flow with spatial and temporal gradients in velocity and density. The resulting paraxial light equations are discretized spatially with a Crank-Nicholson-type scheme, and these algebraic constraints are nonlinearly coupled with ordinary differential equations in time that describe the ion acoustic response. The entire nonlinear differential-algebraic system is solved using an adaptive, backward-differencing method coupled with Newton's method. A numerical study is conducted in two dimensions that compares the intensity gain of the fully time-dependent coupled mode system with the gain computed under the further assumption of a strongly-damped ion acoustic response. The results demonstrate a time-dependent gain suppression when the beam diameter is commensurate with the velocity gradient scale length. The gain suppression is shown to depend on time-dependent beam refraction and is interpreted as a time-dependent frequency shift.

  9. Transient energy excitation in shortcuts to adiabaticity for the time-dependent harmonic oscillator

    SciTech Connect

    Chen Xi; Muga, J. G.

    2010-11-15

    We study for the time-dependent harmonic oscillator the transient energy excitation in speed-up processes ('shortcuts to adiabaticity') designed to reproduce the initial populations at some predetermined final frequency and time. We provide lower bounds and examples. Implications for the limits imposed to the process times and for the principle of unattainability of the absolute zero, in a single expansion or in quantum refrigerator cycles, are drawn.

  10. Prediction of Excitation Energies for Conjugated Oligomers and Polymers from Time-Dependent Density Functional Theory

    PubMed Central

    Tao, Jianmin; Tretiak, Sergei; Zhu, Jian-Xin

    2010-01-01

    With technological advances, light-emitting conjugated oligomers and polymers have become competitive candidates in the commercial market of light-emitting diodes for display and other technologies, due to the ultralow cost, light weight, and flexibility. Prediction of excitation energies of these systems plays a crucial role in the understanding of their optical properties and device design. In this review article, we discuss the calculation of excitation energies with time-dependent density functional theory, which is one of the most successful methods in the investigation of the dynamical response of molecular systems to external perturbation, owing to its high computational efficiency.

  11. Lindbladian operators, von Neumann entropy and energy conservation in time-dependent quantum open systems

    NASA Astrophysics Data System (ADS)

    Ou, Congjie; Chamberlin, Ralph V.; Abe, Sumiyoshi

    2017-01-01

    The Lindblad equation is widely employed in studies of Markovian quantum open systems. Here, the following question is posed: in a quantum open system with a time-dependent Hamiltonian such as a subsystem in contact with the heat bath, what is the corresponding Lindblad equation for the quantum state that keeps the internal energy of the subsystem constant in time? This issue is of importance in realizing quasi-stationary states of open systems such as quantum circuits and batteries. As an illustrative example, the time-dependent harmonic oscillator is analyzed. It is shown that the Lindbladian operator is uniquely determined with the help of a Lie-algebraic structure, and the time derivative of the von Neumann entropy is shown to be nonnegative if the curvature of the harmonic potential monotonically decreases in time.

  12. Quantum Transfer Energy and Nonlocal Correlation in a Dimer with Time-Dependent Coupling Effect

    NASA Astrophysics Data System (ADS)

    El-Shishtawy, Reda M.; Berrada, K.; C. Haddon, Robert; Al-Hadeethi, Yas F.; H. Al-Heniti, Saleh.; Raffah, Bahaaudin M.

    2017-05-01

    The presence of coherence phenomenon due to the interference of probability amplitude terms, is one of the most important features of quantum mechanics theory. Recent experiments show the presence of quantum processes whose coherence provided over suddenly large interval-time. In particular, photosynthetic mechanisms in light-harvesting complexes provide oscillatory behaviors in quantum mechanics due to quantum coherence. In this work, we investigate the coherent quantum transfer energy for a single-excitation and nonlocal correlation in a dimer system modelled by a two-level atom system with and without time-dependent coupling effect. We analyze and explore the required conditions that are feasible with real experimental realization for optimal transfer of quantum energy and generation of nonlocal quantum correlation. We show that the enhancement of the probability for a single-excitation transfer energy is greatly benefits from the combination of the energy detuning and time-dependent coupling effect. We investigate the presence of quantum correlations in the dimer using the entanglement of formation. We also find that the entanglement between the donor and acceptor is very sensitive to the physical parameters and it can be generated during the coherent energy transfer. On the other hand, we study the dynamical behavior of the quantum variance when performing a measurement on an observable of the density matrix operator. Finally, an interesting relationship between the transfer probability, entanglement and quantum variance is explored during the time evolution in terms of the physical parameters.

  13. Quantum Transfer Energy and Nonlocal Correlation in a Dimer with Time-Dependent Coupling Effect

    NASA Astrophysics Data System (ADS)

    El-Shishtawy, Reda M.; Berrada, K.; Haddon, Robert C.; Al-Hadeethi, Yas F.; Al-Heniti, Saleh H.; Raffah, Bahaaudin M.

    2017-02-01

    The presence of coherence phenomenon due to the interference of probability amplitude terms, is one of the most important features of quantum mechanics theory. Recent experiments show the presence of quantum processes whose coherence provided over suddenly large interval-time. In particular, photosynthetic mechanisms in light-harvesting complexes provide oscillatory behaviors in quantum mechanics due to quantum coherence. In this work, we investigate the coherent quantum transfer energy for a single-excitation and nonlocal correlation in a dimer system modelled by a two-level atom system with and without time-dependent coupling effect. We analyze and explore the required conditions that are feasible with real experimental realization for optimal transfer of quantum energy and generation of nonlocal quantum correlation. We show that the enhancement of the probability for a single-excitation transfer energy is greatly benefits from the combination of the energy detuning and time-dependent coupling effect. We investigate the presence of quantum correlations in the dimer using the entanglement of formation. We also find that the entanglement between the donor and acceptor is very sensitive to the physical parameters and it can be generated during the coherent energy transfer. On the other hand, we study the dynamical behavior of the quantum variance when performing a measurement on an observable of the density matrix operator. Finally, an interesting relationship between the transfer probability, entanglement and quantum variance is explored during the time evolution in terms of the physical parameters.

  14. Localized operator partitioning method for electronic excitation energies in the time-dependent density functional formalism.

    PubMed

    Nagesh, Jayashree; Frisch, Michael J; Brumer, Paul; Izmaylov, Artur F

    2016-12-28

    We extend the localized operator partitioning method (LOPM) [J. Nagesh, A. F. Izmaylov, and P. Brumer, J. Chem. Phys. 142, 084114 (2015)] to the time-dependent density functional theory framework to partition molecular electronic energies of excited states in a rigorous manner. A molecular fragment is defined as a collection of atoms using Becke's atomic partitioning. A numerically efficient scheme for evaluating the fragment excitation energy is derived employing a resolution of the identity to preserve standard one- and two-electron integrals in the final expressions. The utility of this partitioning approach is demonstrated by examining several excited states of two bichromophoric compounds: 9-((1- naphthyl)- methyl)- anthracene and 4-((2- naphthyl)- methyl)- benzaldehyde. The LOPM is found to provide nontrivial insights into the nature of electronic energy localization that is not accessible using a simple density difference analysis.

  15. Localized operator partitioning method for electronic excitation energies in the time-dependent density functional formalism

    NASA Astrophysics Data System (ADS)

    Nagesh, Jayashree; Frisch, Michael J.; Brumer, Paul; Izmaylov, Artur F.

    2016-12-01

    We extend the localized operator partitioning method (LOPM) [J. Nagesh, A. F. Izmaylov, and P. Brumer, J. Chem. Phys. 142, 084114 (2015)] to the time-dependent density functional theory framework to partition molecular electronic energies of excited states in a rigorous manner. A molecular fragment is defined as a collection of atoms using Becke's atomic partitioning. A numerically efficient scheme for evaluating the fragment excitation energy is derived employing a resolution of the identity to preserve standard one- and two-electron integrals in the final expressions. The utility of this partitioning approach is demonstrated by examining several excited states of two bichromophoric compounds: 9-((1- naphthyl)- methyl)- anthracene and 4-((2- naphthyl)- methyl)- benzaldehyde. The LOPM is found to provide nontrivial insights into the nature of electronic energy localization that is not accessible using a simple density difference analysis.

  16. Energy distribution of the quantum harmonic oscillator under random time-dependent perturbations.

    PubMed

    Garnier, J

    1999-10-01

    This paper investigates the evolution of a quantum particle in a harmonic oscillator driven by time-dependent forces. The perturbations are small, but they act long enough so that we can solve the problem in the asymptotic framework corresponding to a perturbation amplitude that tends to zero and a perturbation duration that tends to infinity. We describe the effective evolution equation of the state vector, which reads as a stochastic partial differential equation. We exhibit a closed-form equation for the transition probabilities, which can be interpreted in terms of a jump process. Using standard probability tools, we are then able to compute explicitly the probabilities for observing the different energy eigenstates and give the exact statistical distribution of the energy of the particle.

  17. Time dependent thermal lensing measurements of V-T energy transfer from highly excited NO2

    NASA Astrophysics Data System (ADS)

    Toselli, Beatriz M.; Walunas, Theresa L.; Barker, John R.

    1990-04-01

    The vibrational relaxation of NO2 (excited at 21,631/cm) by Ar, Kr, and Xe is investigated experimentally using the time-dependent thermal lensing (TDTL) apparatus and methods described by Barker and Rothem (1982) and Barker and Toselli (1989). The theoretical basis of TDTL is reviewed; the techniques used to analyze the TDTL signals and determine the beam size are discussed; and the results are presented in extensive tables and graphs and characterized in detail. The bulk average energy transfer per collision is shown to depend strongly on the vibrational energy, and a sharp increase above about 10,000/cm is tentatively attributed to large-amplitude vibration associated with coupled electronic states. Ar deactivation of NO2 (010) is found to have a V-T rate constant of (5.1 + or - 1.0) x 10 to the -14th cu cm/sec.

  18. LETTER TO THE EDITOR: Exact energy distribution function in a time-dependent harmonic oscillator

    NASA Astrophysics Data System (ADS)

    Robnik, Marko; Romanovski, Valery G.; Stöckmann, Hans-Jürgen

    2006-09-01

    Following a recent work by Robnik and Romanovski (2006 J. Phys. A: Math. Gen. 39 L35, 2006 Open Syst. Inf. Dyn. 13 197-222), we derive an explicit formula for the universal distribution function of the final energies in a time-dependent 1D harmonic oscillator, whose functional form does not depend on the details of the frequency ω(t) and is closely related to the conservation of the adiabatic invariant. The normalized distribution function is P(x) = \\pi^{-1} (2\\mu^2 - x^2)^{-\\frac{1}{2}} , where x=E_1- \\skew3\\bar{E}_1 ; E1 is the final energy, \\skew3\\bar{E}_1 is its average value and µ2 is the variance of E1. \\skew3\\bar{E}_1 and µ2 can be calculated exactly using the WKB approach to all orders.

  19. Fresnel integrals and irreversible energy transfer in an oscillatory system with time-dependent parameters.

    PubMed

    Kovaleva, Agnessa; Manevitch, Leonid I; Kosevich, Yuriy A

    2011-02-01

    We demonstrate that in significant limiting cases the problem of irreversible energy transfer in an oscillatory system with time-dependent parameters can be efficiently solved in terms of the Fresnel integrals. For definiteness, we consider a system of two weakly coupled linear oscillators in which the first oscillator with constant parameters is excited by an initial impulse, whereas the coupled oscillator with a slowly varying frequency is initially at rest but then acts as an energy trap. We show that the evolution equations of the slow passage through resonance are identical to the equations of the Landau-Zener tunneling problem, and therefore, the suggested asymptotic solution of the classical problem provides a simple analytic description of the quantum Landau-Zener tunneling with arbitrary initial conditions over a finite time interval. A correctness of approximations is confirmed by numerical simulations.

  20. Linking Neuromodulated Spike-Timing Dependent Plasticity with the Free-Energy Principle.

    PubMed

    Isomura, Takuya; Sakai, Koji; Kotani, Kiyoshi; Jimbo, Yasuhiko

    2016-09-01

    The free-energy principle is a candidate unified theory for learning and memory in the brain that predicts that neurons, synapses, and neuromodulators work in a manner that minimizes free energy. However, electrophysiological data elucidating the neural and synaptic bases for this theory are lacking. Here, we propose a novel theory bridging the information-theoretical principle with the biological phenomenon of spike-timing dependent plasticity (STDP) regulated by neuromodulators, which we term mSTDP. We propose that by integrating an mSTDP equation, we can obtain a form of Friston's free energy (an information-theoretical function). Then we analytically and numerically show that dopamine (DA) and noradrenaline (NA) influence the accuracy of a principal component analysis (PCA) performed using the mSTDP algorithm. From the perspective of free-energy minimization, these neuromodulatory changes alter the relative weighting or precision of accuracy and prior terms, which induces a switch from pattern completion to separation. These results are consistent with electrophysiological findings and validate the free-energy principle and mSTDP. Moreover, our scheme can potentially be applied in computational psychiatry to build models of the faulty neural networks that underlie the positive symptoms of schizophrenia, which involve abnormal DA levels, as well as models of the NA contribution to memory triage and posttraumatic stress disorder.

  1. Analysis of energy and time dependence of supernova shock effects on neutrino crossing probabilities

    NASA Astrophysics Data System (ADS)

    Fogli, G. L.; Lisi, E.; Mirizzi, A.; Montanino, D.

    2003-08-01

    It has recently been realized that supernova neutrino signals may be affected by shock propagation over a time interval of a few seconds after bounce. In the standard three-neutrino oscillation scenario, such effects crucially depend on the neutrino level crossing probability PH in the 1-3 sector. By using a simplified parametrization of the time-dependent supernova radial density profile, we explicitly show that simple analytical expressions for PH accurately reproduce the phase-averaged results of numerical calculations in the relevant parameter space. Such expressions are then used to study the structure of PH as a function of energy and time, with particular attention to cases involving multiple crossing along the shock profile. Illustrative applications are given in terms of positron spectra generated by supernova electron antineutrinos through inverse beta decay.

  2. Space-time dependence between energy sources and climate related energy production

    NASA Astrophysics Data System (ADS)

    Engeland, Kolbjorn; Borga, Marco; Creutin, Jean-Dominique; Ramos, Maria-Helena; Tøfte, Lena; Warland, Geir

    2014-05-01

    The European Renewable Energy Directive adopted in 2009 focuses on achieving a 20% share of renewable energy in the EU overall energy mix by 2020. A major part of renewable energy production is related to climate, called "climate related energy" (CRE) production. CRE production systems (wind, solar, and hydropower) are characterized by a large degree of intermittency and variability on both short and long time scales due to the natural variability of climate variables. The main strategies to handle the variability of CRE production include energy-storage, -transport, -diversity and -information (smart grids). The three first strategies aim to smooth out the intermittency and variability of CRE production in time and space whereas the last strategy aims to provide a more optimal interaction between energy production and demand, i.e. to smooth out the residual load (the difference between demand and production). In order to increase the CRE share in the electricity system, it is essential to understand the space-time co-variability between the weather variables and CRE production under both current and future climates. This study presents a review of the literature that searches to tackle these problems. It reveals that the majority of studies deals with either a single CRE source or with the combination of two CREs, mostly wind and solar. This may be due to the fact that the most advanced countries in terms of wind equipment have also very little hydropower potential (Denmark, Ireland or UK, for instance). Hydropower is characterized by both a large storage capacity and flexibility in electricity production, and has therefore a large potential for both balancing and storing energy from wind- and solar-power. Several studies look at how to better connect regions with large share of hydropower (e.g., Scandinavia and the Alps) to regions with high shares of wind- and solar-power (e.g., green battery North-Sea net). Considering time scales, various studies consider wind

  3. Time-dependent geometry and energy distribution in a spiral vortex layer

    NASA Astrophysics Data System (ADS)

    Angilella, J. R.; Vassilicos, J. C.

    1999-05-01

    The purpose of this paper is to study how the geometry and the spatial distribution of energy fluctuations of different length scales in a spiral vortex layer are related to each other in a time-dependent way. The numerical solution of Krasny [J. Comput. Phys. 65, 292 (1986)], corresponding to the development of the Kelvin-Helmholtz instability, is analyzed in order to determine some geometrical features necessary for the analysis of Lundgren's unstrained spiral vortex. The energy distribution of the asymptotic solution of Lundgren characterized by a similar geometry is investigated analytically (1) in the wavelet radius-scale space, with a wavelet selective in the radial direction, and (2) in the wavelet azimuth-scale space, with a wavelet selective in the azimuthal direction. Energy in the wavelet radius-scale space is organized in ``blobs'' distributed in a way determined by the Kolmogorov capacity of the spiral DK∈[1,2] (which determines the rate of accumulation of spiral turns). As time evolves these blobs move towards the small scale region of the wavelet radius-scale space, until their scale is of the order of the diffusive length scale νt, where t is the time and ν is the kinematic viscosity. In contrast, energy in the wavelet azimuth-scale space is not localized, and is characterized by a shear-augmented viscous cutoff proportional to νt3. An accelerated viscous dissipation of the enstrophy and energy of Lundgren's spiral vortex is found for DK>1.75, but not for DK<=1.75.

  4. Time-dependent geometry and energy distribution in a spiral vortex layer.

    PubMed

    Angilella, J R; Vassilicos, J C

    1999-05-01

    The purpose of this paper is to study how the geometry and the spatial distribution of energy fluctuations of different length scales in a spiral vortex layer are related to each other in a time-dependent way. The numerical solution of Krasny [J. Comput. Phys. 65, 292 (1986)], corresponding to the development of the Kelvin-Helmholtz instability, is analyzed in order to determine some geometrical features necessary for the analysis of Lundgren's unstrained spiral vortex. The energy distribution of the asymptotic solution of Lundgren characterized by a similar geometry is investigated analytically (1) in the wavelet radius-scale space, with a wavelet selective in the radial direction, and (2) in the wavelet azimuth-scale space, with a wavelet selective in the azimuthal direction. Energy in the wavelet radius-scale space is organized in "blobs" distributed in a way determined by the Kolmogorov capacity of the spiral D(K) in [1,2] (which determines the rate of accumulation of spiral turns). As time evolves these blobs move towards the small scale region of the wavelet radius-scale space, until their scale is of the order of the diffusive length scale square root[nut], where t is the time and nu is the kinematic viscosity. In contrast, energy in the wavelet azimuth-scale space is not localized, and is characterized by a shear-augmented viscous cutoff proportional to sqaure root[nut(3)]. An accelerated viscous dissipation of the enstrophy and energy of Lundgren's spiral vortex is found for D(K) > 1.75, but not for D(K) < or =1.75.

  5. A time-dependent search for high-energy neutrinos from bright GRBs with ANTARES

    NASA Astrophysics Data System (ADS)

    Celli, Silvia

    2017-03-01

    Astrophysical point-like neutrino sources, like Gamma-Ray Bursts (GRBs), are one of the main targets for neutrino telescopes, since they are among the best candidates for Ultra-High-Energy Cosmic Ray (UHECR) acceleration. From the interaction between the accelerated protons and the intense radiation fields of the source jet, charged mesons are produced, which then decay into neutrinos. The methods and the results of a search for high-energy neutrinos in spatial and temporal correlation with the detected gamma-ray emission are presented for four bright GRBs observed between 2008 and 2013: a time-dependent analysis, optimised for each flare of the selected bursts, is performed to predict detailed neutrino spectra. The internal shock scenario of the fireball model is investigated, relying on the neutrino spectra computed through the numerical code NeuCosmA. The analysis is optimized on a per burst basis, through the maximization of the signal discovery probability. Since no events in ANTARES data passed the optimised cuts, 90% C.L. upper limits are derived on the expected neutrino fluences.

  6. Time dependent 14 MeV neutrons measurement using a polycrystalline chemical vapor deposited diamond detector at the JET tokamak

    SciTech Connect

    Angelone, M.; Pillon, M.; Bertalot, L.; Orsitto, F.; Marinelli, M.; Milani, E.; Pucella, G.; Tucciarone, A.; Verona-Rinati, G.; Popovichev, S.; Murari, A.

    2005-01-01

    A polycrystalline chemical vapor deposited (CVD) diamond detector was installed on a JET tokamak in order to monitor the time dependent 14 MeV neutron emission produced by D-T plasma pulses during the Trace Tritium Experiment (TTE) performed in October 2003. This was the first tentative ever attempted to use a CVD diamond detector as neutron monitor in a tokamak environment. Despite its small active volume, the detector was able to detect the 14 MeV neutron emission (>1.0x10{sup 15} n/shot) with good reliability and stability during the experimental campaign that lasted five weeks. The comparison with standard silicon detectors presently used at JET as 14 MeV neutron monitors is reported, showing excellent correlation between the measurements. The results prove that CVD diamond detectors can be reliably used in a tokamak environment and therefore confirm the potential of this technology for next step machines like ITER.

  7. Microscopic time-dependent analysis of neutrons transfers at low-energy nuclear reactions with spherical and deformed nuclei

    NASA Astrophysics Data System (ADS)

    Samarin, Viacheslav

    2014-03-01

    Time-dependent Schrödinger equation is numerically solved by difference method for external neutrons of nuclei 6He, 18O, 48Са, 238U at their grazing collisions with energies in the vicinity of a Coulomb barrier. The spin-orbital interaction and Pauli's exclusion principle were taken into consideration during the solution.

  8. Low Energy Excitations of a Bose-Einstein Condensate: A Time-Dependent Variational Analysis

    SciTech Connect

    Perez-Garcia, V.M.; Michinel, H.; Cirac, J.; Lewenstein, M.; Zoller, P. ||||

    1996-12-01

    We solve the time-dependent Gross-Pitaevskii equation by a variational ansatz to calculate the excitation spectrum of a Bose-Einstein condensate in a trap. The trial wave function is a Gaussian which allows an essentially analytical treatment of the problem. Our results reproduce numerical calculations over the whole range from small to large particle numbers, and agree exactly with the Stringari results in the strong interaction limit. Excellent agreement is obtained with the recent JILA experiment and predictions for the negative scattering length case are also made. {copyright} {ital 1996 The American Physical Society.}

  9. Time-Dependent Spatial Domains of Electrons Accross the Energy Spectrum

    NASA Astrophysics Data System (ADS)

    Reeves, G. D.; Denton, M.; Boyd, A. J.; Turner, D. L.; Claudepierre, S. G.; Fennell, J. F.; Jaynes, A. N.; Kanekal, S. G.; Baker, D. N.; Mauk, B.; Spence, H. E.

    2016-12-01

    Radiation belt electrons in the inner magnetosphere are commonly described by an inner belt population close to the Earth, inside the plasmasphere, and an outer belt population outside the plasmasphere, separated by a "slot region". This picture has influenced much of our interpretation of radiation belt events and has informed much of our understanding of the processes that control radiation belt structure and dynamics. Recent studies with Van Allen Probes, MMS, THEMIS, and other HSO data sets have added much nuance and richness to that simplistic picture. One of the first results from the Van Allen Probes mission [Baker et al., 2013] showed that the outer zone can, at times, consist of two distinct belts (two spatial domains) at some energies while different energies still populate a single belt. Fennell et al., [2015] and Li et al., [2015] showed that, during the Van Allen Probes era there were no inner zone electrons with energies >1 MeV. In addition, Reeves et al., [2016] showed that the spatial extent of the inner zone was strongly energy-dependent with low energies (e.g. 50 keV) extending from L = 1 to 4 but high energies (e.g. 800 keV) extending L = 1 to only L 1.2. At high energies (e.g. >3 MeV) Baker et al., [2014] described an "impenetrable barrier" that restricted outer zone electrons to L >2.8 while Reeves et al., [2016] showed that electrons at lower energies commonly penetrated through the slot region and into the inner zone. Additionally, even when electrons did not penetrate through the slot, lower energies penetrated more deeply with a strikingly linear relationship between log(Energy) and L of the inner edge of the outer belt. Therefore, although the inner edge of the radiation belts may be at the plasmapause for one energy they cannot be co-located at other energies. We will discuss how and why electrons at different energies occupy different spatial domains as well as how and why those domains change in time. Among the features to be

  10. Latitude and local time dependence of precipitated low energy electrons at high latitudes

    NASA Technical Reports Server (NTRS)

    Gustafsson, G.

    1972-01-01

    Data from particle detectors on board the satellite OGO-4 were used to study the precipitation of electrons in the energy range 0.7 to 24 keV. The latitude dependence of these particles in the local time region from midnight to dawn was investigated in detail. The analysis shows that the precipitation of particles of energies 2.3 to 24 keV is centered at an invariant latitude of about 68 deg at midnight with a clear shift in latitude with increasing local time and this shift is more pronounced for lower energies. The highest fluxes of particles in this energy interval are measured at midnight and they decrease rapidly with local time. The data in the energy range 2.3 to 24 keV support a theory where particles are injected in the midnight region from the tail gaining energy due to a betatron process and then drift eastwards in a combined electric and magnetic field. The main part of the electrons at 0.7 keV show a different behavior. They seem to undergo an acceleration process which is rather local, sometimes giving field aligned fluxes which may be super-imposed on the background precipitation.

  11. Time dependence of energy spectra of brachytherapy sources and its impact on the half and the tenth value layers

    SciTech Connect

    Yue, Ning J.; Chen Zhe; Hearn, Robert A.; Rodgers, Joseph J.; Nath, Ravinder

    2009-11-15

    Purpose: Several factors including radionuclide purity influence the photon energy spectra from sealed brachytherapy sources. The existence of impurities and trace elements in radioactive materials as well as the substrate and encapsulation may not only alter the spectrum at a given time but also cause change in the spectra as a function of time. The purpose of this study is to utilize a semiempirical formalism, which quantitatively incorporates this time dependence, to calculate and evaluate the shielding requirement impacts introduced by this time dependence for a {sup 103}Pd source. Methods: The formalism was used to calculate the NthVL thicknesses in lead for a {sup 103}Pd model 200 seed. Prior to 2005, the {sup 103}Pd in this source was purified to a level better than 0.006% of the total {sup 103}Pd activity, the key trace impurity consisting of {sup 65}Zn. Because {sup 65}Zn emits higher energy photons and has a much longer half-life of 244 days compared to {sup 103}Pd, its presence in {sup 103}Pd seeds led to a time dependence of the photon spectrum and other related physical quantities. This study focuses on the time dependence of the NthVL and the analysis of the corresponding shielding requirements. Results: The results indicate that the first HVL and the first TVL in lead steadily increased with time for about 200 days and then reached a plateau. The increases at plateau were more than 1000 times compared to the corresponding values on the zeroth day. The second and third TVLs in lead reached their plateaus in about 100 and 60 days, respectively, and the increases were about 19 and 2.33 times the corresponding values on the zeroth day, respectively. All the TVLs demonstrated a similar time dependence pattern, with substantial increases and eventual approach to a plateau. Conclusions: The authors conclude that the time dependence of the emitted photon spectra from brachytherapy sources can introduce substantial variations in the values of the NthVL with

  12. Time-dependent behavior of a placed bed of cohesive sediment subjected to erosion and deposition cycles

    NASA Astrophysics Data System (ADS)

    Mariotti, G.; Valentine, K.; Fagherazzi, S.

    2015-02-01

    This study aims to explore the behavior of a cohesive sediment bed that undergoes cycles of erosion and deposition under diluted conditions. A bed of bentonite (montmorillonite) sediment was placed in two annular flumes and subjected to daily erosion tests for a period of 80 days, mimicking intermittent moderate-energy disturbances like tidal currents and wind waves. After each erosion test, the suspended sediment was allowed to settle back in the flumes. The amount of suspended sediment measured at the top of the water column at the end of each erosion test decreased in the first 5 days, concurrently with an increase in the bulk-settling velocity near the bed. This pattern is explained by turbulence-induced flocculation of clay particles and consequent formation of a surface floc layer. After about 20 days, the amount of suspended sediment measured at the top of the water column at the end of each erosion test increased and the settling velocity decreased, whereas the suspended sediment concentration measured near the bed remained nearly constant. We explain such trend by the cumulative release of slow-settling particles from the bed. This experiment suggests that the superficial layer of a placed bed that is periodically eroded and redeposited experiences competing processes: the sediment that is resuspended at every cycle becomes less erodible, but prolonged exposure to shear stress increases the pool of eroded sediment over time. The total amount of resuspended sediment seems to become constant after several tens of cycle, suggesting that the release of particles from the bed by cumulative erosion is balanced by the binding of such particles to the bed.

  13. Two time-dependent, focus-dependent experiments using the energy-dispersive spectrometer at LURE

    SciTech Connect

    Fontaine, A.; Baudelet, F.; Dartyge, E.; Guay, D. , Bat. 209d, F91405 Orsay Cedex ); Itie, J.P. , Bat. 209d, F91405 Orsay Cedex Laboratoire des Milieux Condenses Tour 14 Universite Paris VI-CNRS, F-75232 Paris ); Polian, A. ); Tolentino, H. , Bat. 209d, F91405 Orsay Cedex ); Tourillon, G. , Bat. 209d, F91405 Orsay Cedex )

    1992-01-01

    Rather than a brief review of what has been achieved at LURE (A. Fontaine, E. Dartyge, J. P. Itie, A. Polian, H. Tolentino, and G. Tourillon, {ital Topics} {ital in} {ital Current} {ital Chemistry} {bold 151}, (Springer, Berlin, 1989), Vol. 151) since 1985 with the fully dedicated, energy dispersive x-ray absorption fine structure beam line, we will present two classes of experiments plus a discussion on the present ultimate source of noise of our mechanical movement-free spectrometer. Moreover, the readers interested in this field, can find two other studies with the new born ports at Hamburg (M. Hagelstein, S. Cunis, R. Frahm, W. Niemann, and P. Rabe, Phys. B {bold 158}, 324 (1989)) and Daresbury (G. Baker, C. Richard, A. Catlow, J. Couves, A. J. Dent, G. Derbyshire, G. N. Greaves, and J. M. Thomas, XAFS VI York 1990). Related to this field are the quick extended x-ray absorption fine structure spectrometers developed initially at Hamburg under R. Frahm (R. Frahm, Nucl. Instrum. Methods A {bold 270}, 578 (1988)) and at LURE under P. Lagarde and C. Prietto (P. Lagarde, M. Lemonnier, and H. Dexpert, Physica B {bold 158}, 337 (1989)), which have been able in these two years to open new routes in a wide variety of science.

  14. Two time-dependent, focus-dependent experiments using the energy-dispersive spectrometer at LURE

    NASA Astrophysics Data System (ADS)

    Fontaine, A.; Baudelet, F.; Dartyge, E.; Guay, D.; Itié, J. P.; Polian, A.; Tolentino, H.; Tourillon, G.

    1992-01-01

    Rather than a brief review of what has been achieved at LURE [A. Fontaine, E. Dartyge, J. P. Itié, A. Polian, H. Tolentino, and G. Tourillon, Topics in Current Chemistry 151, (Springer, Berlin, 1989), Vol. 151] since 1985 with the fully dedicated, energy dispersive x-ray absorption fine structure beam line, we will present two classes of experiments plus a discussion on the present ultimate source of noise of our mechanical movement-free spectrometer. Moreover, the readers interested in this field, can find two other studies with the new born ports at Hamburg [M. Hagelstein, S. Cunis, R. Frahm, W. Niemann, and P. Rabe, Phys. B 158, 324 (1989)] and Daresbury [G. Baker, C. Richard, A. Catlow, J. Couves, A. J. Dent, G. Derbyshire, G. N. Greaves, and J. M. Thomas, XAFS VI York 1990]. Related to this field are the quick extended x-ray absorption fine structure spectrometers developed initially at Hamburg under R. Frahm [R. Frahm, Nucl. Instrum. Methods A 270, 578 (1988)] and at LURE under P. Lagarde and C. Prietto [P. Lagarde, M. Lemonnier, and H. Dexpert, Physica B 158, 337 (1989)], which have been able in these two years to open new routes in a wide variety of science.

  15. Excited-state nuclear forces on adiabatic potential-energy surfaces by time-dependent density-functional theory

    NASA Astrophysics Data System (ADS)

    Haruyama, Jun; Suzuki, Takahiro; Hu, Chunping; Watanabe, Kazuyuki

    2012-01-01

    We present a simple and computationally efficient method to calculate excited-state nuclear forces on adiabatic potential-energy surfaces (APES) from linear-response time-dependent density-functional theory within a real-space framework. The Casida ansatz, which has been validated for computing first-order nonadiabatic couplings in previous studies, was applied to the calculation of the excited-state forces. Our method is validated by the consistency of results in the lower excited states, which reproduce well those obtained by the numerical derivative of each APES. We emphasize the usefulness of this technique by demonstrating the excited-state molecular-dynamics simulation.

  16. Universal steps in quantum dynamics with time-dependent potential-energy surfaces: Beyond the Born-Oppenheimer picture

    NASA Astrophysics Data System (ADS)

    Albareda, Guillermo; Abedi, Ali; Tavernelli, Ivano; Rubio, Angel

    2016-12-01

    It was recently shown [G. Albareda et al., Phys. Rev. Lett. 113, 083003 (2014)], 10.1103/PhysRevLett.113.083003 that within the conditional decomposition approach to the coupled electron-nuclear dynamics, the electron-nuclear wave function can be exactly decomposed into an ensemble of nuclear wave packets effectively governed by nuclear conditional time-dependent potential-energy surfaces (C-TDPESs). Employing a one-dimensional model system, we show that for strong nonadiabatic couplings the nuclear C-TDPESs exhibit steps that bridge piecewise adiabatic Born-Oppenheimer potential-energy surfaces. The nature of these steps is identified as an effect of electron-nuclear correlation. Furthermore, a direct comparison with similar discontinuities recently reported in the context of the exact factorization framework allows us to draw conclusions about the universality of these discontinuities, viz., they are inherent to all nonadiabatic nuclear dynamics approaches based on (exact) time-dependent potential-energy surfaces.

  17. The simulated features of heliospheric cosmic-ray modulation with a time-dependent drift model. III - General energy dependence

    NASA Technical Reports Server (NTRS)

    Potgieter, M. S.; Le Roux, J. A.

    1992-01-01

    The time-dependent cosmic-ray transport equation is solved numerically in an axially symmetric heliosphere. Gradient and curvature drifts are incorporated, together with an emulated wavy neutral sheet. This model is used to simulate heliospheric cosmic-ray modulation for the period 1985-1989 during which drifts are considered to be important. The general energy dependence of the modulation of Galactic protons is studied as predicted by the model for the energy range 1 MeV to 10 GeV. The corresponding instantaneous radial and latitudinal gradients are calculated, and it is found that, whereas the latitudinal gradients follow the trends in the waviness of the neutral sheet to a large extent for all energies, the radial gradients below about 200 MeV deviate from this general pattern. In particular, these gradients increase when the waviness decreases for the simulated period 1985-1987.3, after which they again follow the neutral sheet by increasing rapidly.

  18. Time dependence of carbon film deposition on SnO{sub 2}/Si using DC unbalanced magnetron sputtering

    SciTech Connect

    Alfiadi, H. Aji, A. S. Darma, Y.

    2014-02-24

    Carbon deposition on SnO{sub 2} layer has been demonstrated at low temperature using DC unbalanced magnetron-sputtering technique for various time depositions. Before carbon sputtering process, SnO{sub 2} thin layer is grown on silicon substrate by thermal evaporation method using high purity Sn wire and then fully oxidizes by dry O{sub 2} at 225°C. Carbon sputtering process was carried out at pressure of 4.6×10{sup −2} Torr by keeping the substrate temperature of 300 °C for sputtering deposition time of 1 to 4 hours. The properties of SnO{sub 2}/Si structure and carbon thin film on SnO{sub 2} is characterized using SEM, EDAX, XRD, FTIR, and Raman Spectra. SEM images and XRD spectra show that SnO2 thin film has uniformly growth on Si substrate and affected by annealing temperature. Raman and FTIR results confirm the formation of carbon-rich thin film on SnO{sub 2}. In addition, XRD spectra indicate that some structural change occur by increasing sputtering deposition time. Furthermore, the change of atomic structure due to the thermal annealing is analized by XRD spectra and Raman spectroscopy.

  19. Accurate Ground-State Energies of Solids and Molecules from Time-Dependent Density-Functional Theory

    NASA Astrophysics Data System (ADS)

    Olsen, Thomas; Thygesen, Kristian S.

    2014-05-01

    We demonstrate that ground-state energies approaching chemical accuracy can be obtained by combining the adiabatic-connection fluctuation-dissipation theorem with time-dependent density-functional theory. The key ingredient is a renormalization scheme, which eliminates the divergence of the correlation hole characteristic of any local kernel. This new class of renormalized kernels gives a significantly better description of the short-range correlations in covalent bonds compared to the random phase approximation (RPA) and yields a fourfold improvement of RPA binding energies in both molecules and solids. We also consider examples of barrier heights in chemical reactions, molecular adsorption, and graphene interacting with metal surfaces, which are three examples where the RPA has been successful. In these cases, the renormalized kernel provides results that are of equal quality or even slightly better than the RPA, with a similar computational cost.

  20. Time-dependent scattering of a composite particle: A local self-energy approach for internal excitations

    NASA Astrophysics Data System (ADS)

    Grasselli, Federico; Bertoni, Andrea; Goldoni, Guido

    2016-09-01

    When composite particles—such as small molecules, nuclei, or photogenerated excitons in semiconductors—are scattered by an external potential, energy may be transferred between the c.m. and the internal degrees of freedom. An accurate dynamical modeling of this effect is pivotal in predicting diverse scattering quantities and reaction cross sections, and allows us to rationalize time-resolved energy and localization spectra. Here, we show that time-dependent scattering of a quantum composite particle with an arbitrary, nonperturbative external potential can be obtained by propagating the c.m. degrees of freedom with a properly designed local self-energy potential. The latter embeds the effect of internal virtual transitions and can be obtained by the knowledge of the stationary internal states. The case is made by simulating Wannier-Mott excitons in one- and two-dimensional semiconductor heterostructures. The self-energy approach shows very good agreement with numerically exact Schrödinger propagation for scattering potentials where a mean-field model cannot be applied, at a dramatically reduced computational cost.

  1. Excited state geometry optimizations by analytical energy gradient of long-range corrected time-dependent density functional theory.

    PubMed

    Chiba, Mahito; Tsuneda, Takao; Hirao, Kimihiko

    2006-04-14

    An analytical excitation energy gradient of long-range corrected time-dependent density functional theory (LC-TDDFT) is presented. This is based on a previous analytical TDDFT gradient formalism, which avoids solving the coupled-perturbed Kohn-Sham equation for each nuclear degree of freedom. In LC-TDDFT, exchange interactions are evaluated by combining the short-range part of a DFT exchange functional with the long-range part of the Hartree-Fock exchange integral. This LC-TDDFT gradient was first examined by calculating the excited state geometries and adiabatic excitation energies of small typical molecules and a small protonated Schiff base. As a result, we found that long-range interactions play a significant role even in valence excited states of small systems. This analytical LC-TDDFT gradient was also applied to the investigations of small twisted intramolecular charge transfer (TICT) systems. By comparing with calculated ab initio multireference perturbation theory and experimental results, we found that LC-TDDFT gave much more accurate absorption and fluorescence energies of these systems than those of conventional TDDFTs using pure and hybrid functionals. For optimized excited state geometries, LC-TDDFT provided fairly different twisting and wagging angles of these small TICT systems in comparison with conventional TDDFT results.

  2. Calculation of atomic excitation energies by time-dependent density functional theory within a modified linear response.

    PubMed

    Hu, Chunping; Sugino, Osamu; Tateyama, Yoshitaka

    2009-02-11

    Time-dependent density functional theory (TDDFT) has become a standard tool for investigation of electronic excited states. However, for certain types of electronic excitations, TDDFT is known to give systematically inaccurate results, which has been attributed to the insufficiency of conventional exchange-correlation functionals, such as the local density approximation (LDA). To improve TDDFT performance within LDA, a modified linear response (MLR) scheme was recently proposed, in which the responses from not only the ground state, but also the intermediate excited states are taken into account. This scheme was shown to greatly improve TDDFT performance on the prediction of Rydberg and charge-transfer excitation energies of molecules. Yet, for a validation of this TDDFT-MLR scheme for excitation energies, there remain issues to be resolved regarding Rydberg transitions of single atoms before going to larger systems. In the present work, we show an adapted algorithm to construct the intermediate excited states for rare-gas atoms. With the technique, Rydberg transition energies can be well decoded from LDA, as will also be shown in the application of the TDDFT-MLR scheme to other types of atoms.

  3. Time-dependent electrokinetic flows of non-Newtonian fluids in microchannel-array for energy conversion

    NASA Astrophysics Data System (ADS)

    Chun, Myung-Suk; Chun, Byoungjin; Lee, Ji-Young; Complex Fluids Team

    2016-11-01

    We investigate the externally time-dependent pulsatile electrokinetic viscous flows by extending the previous simulations concerning the electrokinetic microfluidics for different geometries. The external body force originated from between the nonlinear Poisson-Boltzmann field and the flow-induced electric field is employed in the Cauchy momentum equation, and then the Nernst-Planck equation in connection with the net current conservation is coupled. Our explicit model allows one to quantify the effects of the oscillating frequency and conductance of the Stern layer, considering the shear thinning effect and the strong electric double layer interaction. This presentation reports the new results regarding the implication of optimum frequency pressure pulsations toward realizing mechanical to electrical energy transfer with high conversion efficiencies. These combined factors for different channel dimension are examined in depth to obtain possible enhancements of streaming current, with taking advantage of pulsating pressure field. From experimental verifications by using electrokinetic power chip, it is concluded that our theoretical framework can serve as a useful basis for micro/nanofluidics design and potential applications to the enhanced energy conversion. NRF of Korea (No.2015R1A2A1A15052979) and KIST (No.2E26490).

  4. Time-dependent density functional study of the electronic potential energy curves and excitation spectrum of the oxygen molecule.

    PubMed

    Guan, Jingang; Wang, Fan; Ziegler, Tom; Cox, Hazel

    2006-07-28

    Orbital energies, ionization potentials, molecular constants, potential energy curves, and the excitation spectrum of O(2) are calculated using time-dependent density functional theory (TDDFT) with Tamm-Dancoff approximation (TDA). The calculated negative highest occupied molecular orbital energy (-epsilon(HOMO)) is compared with the energy difference ionization potential for five exchange correlation functionals consisting of the local density approximation (LDAxc), gradient corrected Becke exchange plus Perdew correlation (B(88X)+P(86C)), gradient regulated asymptotic correction (GRAC), statistical average of orbital potentials (SAOP), and van Leeuwen and Baerends asymptotically correct potential (LB94). The potential energy curves calculated using TDDFT with the TDA at internuclear distances from 1.0 to 1.8 A are divided into three groups according to the electron configurations. The 1pi(u) (4)1pi(g) (2) electron configuration gives rise to the X (3)Sigma(g) (-), a (1)Delta(g), and b (1)Sigma(g) (+) states; the 1pi(u) (3)1pi(g) (3) electron configuration gives rise to the c (1)Sigma(u) (-), C (3)Delta(u), and A (3)Sigma(u) (+) states; and the B (3)Sigma(u) (-), A (1)Delta(u), and f (1)Sigma(u) (+) states are determined by the mixing of two or more electron configurations. The excitation spectrum of the oxygen molecule, calculated with the aforementioned exchange correlation functionals, shows that the results are quite sensitive to the choice of functional. The LDAxc and the B(88X)+P(86C) functionals produce similar spectroscopic patterns with a single strongly absorbing band positioned at 19.82 and 19.72 eV, respectively, while the asymptotically corrected exchange correlation functionals of the SAOP and the LB94 varieties yield similar excitation spectra where the computed strongly absorbing band is located at 16.09 and 16.42 eV, respectively. However, all of the exchange correlation functionals yield only one strongly absorbing band (oscillator strength

  5. Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

    NASA Astrophysics Data System (ADS)

    Casida, Mark E.; Jamorski, Christine; Casida, Kim C.; Salahub, Dennis R.

    1998-03-01

    This paper presents an evaluation of the performance of time-dependent density-functional response theory (TD-DFRT) for the calculation of high-lying bound electronic excitation energies of molecules. TD-DFRT excitation energies are reported for a large number of states for each of four molecules: N2, CO, CH2O, and C2H4. In contrast to the good results obtained for low-lying states within the time-dependent local density approximation (TDLDA), there is a marked deterioration of the results for high-lying bound states. This is manifested as a collapse of the states above the TDLDA ionization threshold, which is at -ɛHOMOLDA (the negative of the highest occupied molecular orbital energy in the LDA). The -ɛHOMOLDA is much lower than the true ionization potential because the LDA exchange-correlation potential has the wrong asymptotic behavior. For this reason, the excitation energies were also calculated using the asymptotically correct potential of van Leeuwen and Baerends (LB94) in the self-consistent field step. This was found to correct the collapse of the high-lying states that was observed with the LDA. Nevertheless, further improvement of the functional is desirable. For low-lying states the asymptotic behavior of the exchange-correlation potential is not critical and the LDA potential does remarkably well. We propose criteria delineating for which states the TDLDA can be expected to be used without serious impact from the incorrect asymptotic behavior of the LDA potential.

  6. Chaos and Energy Spreading for Time-Dependent Hamiltonians, and the Various Regimes in the Theory of Quantum Dissipation

    NASA Astrophysics Data System (ADS)

    Cohen, Doron

    2000-08-01

    We make the first steps toward a generic theory for energy spreading and quantum dissipation. The Wall formula for the calculation of friction in nuclear physics and the Drude formula for the calculation of conductivity in mesoscopic physics can be regarded as two special results of the general formulation. We assume a time-dependent Hamiltonian H(Q, P; x(t)) with x(t)=Vt, where V is slow in a classical sense. The rate-of-change V is not necessarily slow in the quantum-mechanical sense. The dynamical variables (Q, P) may represent some "bath" which is being parametrically driven by x. This bath may consist of just a few degrees of freedom, but it is assumed to be classically chaotic. In the case of either the Wall or Drude formula, the dynamical variables (Q, P) may represent a single particle. In any case, dissipation means an irreversible systematic growth of the (average) energy. It is associated with the stochastic spreading of energy across levels. The latter can be characterized by a transition probability kernel Pt(n ∣ m), where n and m are level indices. This kernel is the main object of the present study. In the classical limit, due to the (assumed) chaotic nature of the dynamics, the second moment of Pt(n ∣ m) exhibits a crossover from ballistic to diffusive behavior. In order to capture this crossover within quantum mechanics, a proper theory for the quantal Pt(n ∣ m) should be constructed. We define the V regimes where either perturbation theory or semiclassical considerations are applicable in order to establish this crossover. In the limit ℏ→0 perturbation theory does not apply but semiclassical considerations can be used in order to argue that there is detailed correspondence, during the crossover time, between the quantal and the classical Pt(n ∣ m). In the perturbative regime there is a lack of such correspondence. Namely, Pt(n ∣ m) is characterized by a perturbative core-tail structure that persists during the crossover time. In

  7. Influence of multi-deposition multi-annealing on time-dependent dielectric breakdown characteristics of PMOS with high-k/metal gate last process

    NASA Astrophysics Data System (ADS)

    Wang, Yan-Rong; Yang, Hong; Xu, Hao; Wang, Xiao-Lei; Luo, Wei-Chun; Qi, Lu-Wei; Zhang, Shu-Xiang; Wang, Wen-Wu; Yan, Jiang; Zhu, Hui-Long; Zhao, Chao; Chen, Da-Peng; Ye, Tian-Chun

    2015-11-01

    A multi-deposition multi-annealing technique (MDMA) is introduced into the process of high-k/metal gate MOSFET for the gate last process to effectively reduce the gate leakage and improve the device’s performance. In this paper, we systematically investigate the electrical parameters and the time-dependent dielectric breakdown (TDDB) characteristics of positive channel metal oxide semiconductor (PMOS) under different MDMA process conditions, including the deposition/annealing (D&A) cycles, the D&A time, and the total annealing time. The results show that the increases of the number of D&A cycles (from 1 to 2) and D&A time (from 15 s to 30 s) can contribute to the results that the gate leakage current decreases by about one order of magnitude and that the time to fail (TTF) at 63.2% increases by about several times. However, too many D&A cycles (such as 4 cycles) make the equivalent oxide thickness (EOT) increase by about 1 Å and the TTF of PMOS worsen. Moreover, different D&A times and numbers of D&A cycles induce different breakdown mechanisms. Project supported by the National High Technology Research and Development Program of China (Grant No. SS2015AA010601) and the National Natural Science Foundation of China (Grant Nos. 61176091 and 61306129).

  8. An energy dissipation and cross shear time dependent computational wear model for the analysis of polyethylene wear in total knee replacements.

    PubMed

    O'Brien, Sean T; Bohm, Eric R; Petrak, Martin J; Wyss, Urs P; Brandt, Jan-M

    2014-03-21

    The cost and time efficiency of computational polyethylene wear simulations may enable the optimization of total knee replacements for the reduction of polyethylene wear. The present study proposes an energy dissipation wear model for polyethylene which considers the time dependent molecular behavior of polyethylene, aspects of tractive rolling and contact pressure. This time dependent - energy dissipation wear model was evaluated, along with several other wear models, by comparison to pin-on-disk results, knee simulator wear test results under various kinematic conditions and knee simulator wear test results that were performed following the ISO 14243-3 standard. The proposed time dependent - energy dissipation wear model resulted in improved accuracy for the prediction of pin-on-disk and knee simulator wear test results compared with several previously published wear models.

  9. The contribution of time-dependent stress relaxation in protein gels to the recoverable energy that is used as a tool to describe food texture

    NASA Astrophysics Data System (ADS)

    de Jong, Saskia; van Vliet, Ton; de Jongh, Harmen H. J.

    2015-11-01

    The recoverable energy (RE), defined as the ratio of the work exerted on a test specimen during compression and recovered upon subsequent decompression, has been shown to correlate to sensory profiling of protein-based food products. Understanding the mechanism determining the time-dependency of RE is primordial. This work aims to identify the protein-specific impact on the recoverable energy by stress dissipation via relaxation of (micro)structural rearrangements within protein gels. To this end, caseinate and gelatin gels are studied for their response to time-dependent mechanical deformation as they are known to develop structurally distinct network morphologies. This work shows that in gelatin gels no significant stress relaxation occurs on the seconds timescale, and consequently no time-dependency of the amount of energy stored in this material is observed. In caseinate gels, however, the energy dissipation via relaxation processes does contribute significantly to the time-dependency of reversible stored energy in the network. This can explain the obtained RE as a function of applied deformation at slow deformation rates. At faster deformation, an additional contribution to the dissipated energy is apparent, that increases with the deformation rate, which might point to the role of energy dissipation related to friction of the serum entrapped by the protein-network. This work shows that engineering strategies focused on controlling viscous flow in protein gels could be more effective to dictate the ability to elastically store energy in protein gels than routes that direct protein-specific aggregation and/or network-assembly.

  10. AN ENERGY-CONSERVING, PARTICLE-DOMINATED, TIME-DEPENDENT MODEL OF 3C 58 AND ITS OBSERVABILITY AT HIGH ENERGIES

    SciTech Connect

    Torres, Diego F.; Martin Rodriguez, Jonatan; Cillis, Analia N.

    2013-01-20

    We present a time-dependent spectral model of the nebula 3C 58 and compare it with available data. The model is for a leptonic nebula in which particles are subject to synchrotron, inverse Compton, self-synchrotron Compton, adiabatic, and bremsstrahlung processes. We find that 3C 58 is compatible with being a particle-dominated nebula, with a magnetic field of 35 {mu}G. A broken power-law injection fits well the multi-frequency data, with a break energy at about 40 GeV. We find that 3C 58 is not expected to appear in VERITAS or MAGIC II, unless the local IR background is a factor of {approx}20 off Galactic models' averages. For cases in which the cosmic microwave background dominates the inverse Compton contribution, we find that 3C 58 will not be visible either for the Cherenkov Telescope Array.

  11. An Energy-conserving, Particle-dominated, Time-dependent Model of 3C 58 and Its Observability at High Energies

    NASA Astrophysics Data System (ADS)

    Torres, Diego F.; Cillis, Analía N.; Martín Rodriguez, Jonatan

    2013-01-01

    We present a time-dependent spectral model of the nebula 3C 58 and compare it with available data. The model is for a leptonic nebula in which particles are subject to synchrotron, inverse Compton, self-synchrotron Compton, adiabatic, and bremsstrahlung processes. We find that 3C 58 is compatible with being a particle-dominated nebula, with a magnetic field of 35 μG. A broken power-law injection fits well the multi-frequency data, with a break energy at about 40 GeV. We find that 3C 58 is not expected to appear in VERITAS or MAGIC II, unless the local IR background is a factor of ~20 off Galactic models' averages. For cases in which the cosmic microwave background dominates the inverse Compton contribution, we find that 3C 58 will not be visible either for the Cherenkov Telescope Array.

  12. The spontaneous fission of 8Be and the fusion at sub-coloumb barrier energies in the time-dependent cluster theory

    NASA Astrophysics Data System (ADS)

    Drożdż, S.; Okolowicz, J.; Ploszajczak, M.

    1983-08-01

    The time-dependent cluster theory is applied for a description of the spontaneous fission of 8Be and for a calculation of the α-α fusion cross section at sub-Coulomb barrier energies. The calculated spontaneous fission decay width Γ(cal) ≅ 7.5 eV reproduces the experimental value Γ(ex) = 6.8 +/- 1.7 eV.

  13. Time-dependent absorption of very high-energy gamma-rays from the Galactic center by pair-production

    SciTech Connect

    Abramowski, Attila; Horns, Dieter; Ripken, Joachim; Gillessen, Stefan; Eldik, Christopher van

    2008-12-24

    Very high energy (VHE) gamma-rays have been detected from the direction of the Galactic center. The H.E.S.S. Cherenkov telescopes have located this {gamma}-ray source with a preliminary position uncertainty of 8.5'' per axis (6'' statistic+6'' sytematic per axis). Within the uncertainty region several possible counterpart candidates exist: the Super Massive Black Hole Sgr A*, the Pulsar Wind Nebula candidate G359.95-0.04, the Low Mass X-Ray Binary-system J174540.0-290031, the stellar cluster IRS 13, as well as self-annihilating dark matter. It is experimentally very challenging to further improve the positional accuracy in this energy range and therefore, it may not be possible to clearly associate one of the counterpart candidates with the VHE-source. Here, we present a new method to investigate a possible link of the VHE-source with the near environment of Sgr A*(within approximately 1000 Schwarzschild radii). This method uses the time- and energy-dependent effect of absorption of VHE {gamma}-rays by pair-production (in the following named pair-eclipse) with low-energy photons of stars closely orbiting the SMBH Sgr A*.

  14. Photodetachment and photodissociation of the linear OCuO- molecular anion: energy and time dependence of Cu- production.

    PubMed

    Mabbs, Richard; Holtgrewe, Nicholas; Dao, Diep Bich; Lasinski, Joshua

    2014-01-14

    A photodissociative study of CuO2(-) is presented using a combination of energy and time domain photoelectron spectroscopy. Ion source conditions are used that solely produce linear OCuO(-). Photodissociation of this isomer to produce Cu(-) + O2 is conclusively demonstrated at wavelengths between 765 and 340 nm. Nanosecond pulsed photoexcitation at wavelengths shorter than 340 nm produces single photon detachment transitions from the first excited state of CuO2(-). At longer wavelengths narrow Cu(-) fragment transitions are observed as a result of a sequential two photon process. In addition, the longer wavelengths produce a weak, broad two photon dependent signal, the result of detachment of the dissociating linear isomer. Time resolved pump-probe measurements reveal a long timescale growth (up to 150 ps) of the Cu(-) fragment yield, consistent with the unfavorable starting geometry for the dissociative process and indicating a potential energy surface which has one or more substantial barriers to dissociation.

  15. Correlated blinking via time dependent energy transfer in single CdSe quantum dot-dye nanoassemblies

    NASA Astrophysics Data System (ADS)

    Gerlach, Frank; Täuber, Daniela; von Borczyskowski, Christian

    2013-05-01

    Optical confocal spectroscopy on self-assembled single nanoassemblies from CdSe/ZnS quantum dots (QD) and perylene diimide dye molecules demonstrates efficient Förster resonance energy transfer (FRET). Intramolecular dynamics of the flexible dye molecule change the FRET efficiency in course of the detection period of several minutes. This can be followed by correlated observations of luminescence intensities and related spectral shifts of both constituents. Contrary to several experiments on similar assemblies, the FRET efficiencies are by almost one order of magnitude larger in the non-polar liquid solvent TEHOS as compared e.g. to toluene. Experimental and theoretically expected efficiencies are in close agreement with each other.

  16. Energy relaxation and separation of a hot electron-hole pair in organic aggregates from a time-dependent wavepacket diffusion method

    SciTech Connect

    Han, Lu; Liang, WanZhen; Zhao, Yi; Zhong, Xinxin

    2014-06-07

    The time-dependent wavepacket diffusive method [X. Zhong and Y. Zhao, J. Chem. Phys. 138, 014111 (2013)] is extended to investigate the energy relaxation and separation of a hot electron-hole pair in organic aggregates with incorporation of Coulomb interaction and electron-phonon coupling. The pair initial condition generated by laser pulse is represented by a Gaussian wavepacket with a central momentum. The results reveal that the hot electron energy relaxation is very well described by two rate processes with the fast rate much larger than the slow one, consistent with experimental observations, and an efficient electron-hole separation is accomplished accompanying the fast energy relaxation. Furthermore, although the extra energy indeed helps the separation by overcoming the Coulomb interaction, the width of initial wavepacket is much sensitive to the separation efficiency and the narrower wavepacket generates the more separated charges. This behavior may be useful to understand the experimental controversy of the hot carrier effect on charge separation.

  17. Analysis of time-dependent nonlinear dynamics of the axisymmetric liquid film on a vertical circular cylinder: Energy integral model

    NASA Astrophysics Data System (ADS)

    Novbari, E.; Oron, A.

    2011-01-01

    The nonlinear dynamics of an axisymmetric liquid film falling on the outer surface of a vertical cylinder is investigated in the framework of the set of two coupled evolution equations derived recently using the energy integral method (EIM). This set of EIM evolution equations is solved numerically and its solutions are compared with the traveling wave solutions derived from it using AUTO. We find that traveling wave solutions of EIM equations can bifurcate either supercritically or subcritically from the base state. The type of bifurcation depends on the parameter set of the problem. The set of EIM equations studied here admits both traveling wave and nonstationary wave flows. We demonstrate that in the case of subcritical primary bifurcation the film dynamics is sensitive to the choice of the initial condition and coexistence of up to five different flows is possible for the same parameter set in the domain of a given periodicity. The case of supercritical primary bifurcation exhibits much lesser dependence on the initial condition, though coexistence of two different flows for the same parameter set is possible. The synergetic approach based on both direct numerical solution of the governing evolution equations and search of traveling wave solutions using AUTO facilitate a discovery of a large variety of flows and help to conclude about stability of the traveling wave flows found using AUTO.

  18. The application of counter immunoelectrophoresis (CIE) in ocular protein studies. Part I: time dependent deposition patterns of immunoregulatory proteins on anionic hydrogel contact lenses.

    PubMed

    Mann, Aisling M; Jones, Lyndon W; Tighe, Brian J

    2002-06-01

    This paper focuses on the effects of wear regime on the deposition pattern of important immunoregulatory proteins on FDA Group IV etafilcon-A lenses. Specifically, the aim was to assess the extent to which the daily disposable wear modality produces a different deposition of proteins from the conventional daily wear regime which is coupled with cleaning and disinfection. Counter immunoelectrophoresis (CIE) was employed to detect individual proteins in lens extracts from individual patients and focused on the analysis of five proteins, IgA, IgG, lactoferrin, albumin and kininogen. Deposition was monitored as a function of time; significantly lower deposition was detected on the daily disposable lenses.

  19. Time dependent flare model with non-LTE radiative transfer

    NASA Astrophysics Data System (ADS)

    Varady, M.; Karlický, M.; Kašparová, J.; Heinzel, P.

    2002-12-01

    The first results of a time dependent simulation of chromospheric response to a high energy electron beam are presented. The hybrid code, i.e. a combination of a 1-D hydrodynamic code and a test particle code, has been used to calculate the energy losses of a high energy electron beam propagating through the solar atmosphere and the consequent response of the ambient solar plasma to the energy deposition. The resulting time evolution of the solar plasma temperature, density, velocity and energy deposit on hydrogen has then been used as an input for a time dependent radiative transfer code in the MALI approach to determine the time variation of the Hα line profile. Non-thermal collisional rates have been included in the linearised ESE.

  20. Time Dependent Fluids

    ERIC Educational Resources Information Center

    Collyer, A. A.

    1974-01-01

    Discusses the flow characteristics of thixotropic and negative thixotropic fluids; various theories underlying the thixotropic behavior; and thixotropic phenomena exhibited in drilling muds, commercial paints, pastes, and greases. Inconsistencies in the terminology used to label time dependent effects are revealed. (CC)

  1. Vicinage effect in the energy loss of H2 dimers: Experiment and calculations based on time-dependent density-functional theory

    NASA Astrophysics Data System (ADS)

    Koval, N. E.; Borisov, A. G.; Rosa, L. F. S.; Stori, E. M.; Dias, J. F.; Grande, P. L.; Sánchez-Portal, D.; Muiño, R. Díez

    2017-06-01

    We present a combined theoretical and experimental study of the energy loss of H2+ molecular ions interacting with thin oxide and carbon films. As a result of quantum mechanical interference of the target electrons, the energy loss of a molecular projectile differs from the sum of the energy losses of individual atomic projectiles. This difference is known as the vicinage effect. Calculations based on the time-dependent density functional theory allow the first-principles description of the dynamics of target excitations produced by the correlated motion of the nucleons forming the molecule. We investigate in detail the dependence of the vicinage effect on the speed and charge state of the projectile and find an excellent agreement between calculated and measured data.

  2. Resolving the energy and temperature dependence of C6H6∗ collisional relaxation via time-dependent bath temperature measurements

    NASA Astrophysics Data System (ADS)

    West, Niclas A.; Winner, Joshua D.; Bowersox, Rodney D. W.; North, Simon W.

    2016-07-01

    The relaxation of highly vibrationally excited benzene, generated by 193 nm laser excitation, was studied using the transient rotational-translational temperature rise of the N2 bath, which was measured by proxy using two-line laser induced fluorescence of seeded NO. The resulting experimentally measured time-dependent N2 temperature rises were modeled with MultiWell based simulations of Collisional Energy Transfer (CET) from benzene vibration to N2 rotation-translation. We find that the average energy transferred in benzene deactivating collisions depends linearly on the internal energy of the excited benzene molecules and depends approximately linearly on the N2 bath temperature between 300 K and 600 K. The results are consistent with experimental studies and classical trajectory calculations of CET in similar systems.

  3. Time dependence of the field energy densities surrounding sources: Application to scalar mesons near point sources and to electromagnetic fields near molecules

    NASA Astrophysics Data System (ADS)

    Persico, F.; Power, E. A.

    1987-07-01

    The time dependence of the dressing-undressing process, i.e., the acquiring or losing by a source of a boson field intensity and hence of a field energy density in its neighborhood, is considered by examining some simple soluble models. First, the loss of the virtual field is followed in time when a point source is suddenly decoupled from a neutral scalar meson field. Second, an initially bare point source acquires a virtual meson cloud as the coupling is switched on. The third example is that of an initially bare molecule interacting with the vacuum of the electromagnetic field to acquire a virtual photon cloud. In all three cases the dressing-undressing is shown to take place within an expanding sphere of radius r=ct centered at the source. At each point in space the energy density tends, for large times, to that of the ground state of the total system. Differences in the time dependence of the dressing between the massive scalar field and the massless electromagnetic field are discussed. The results are also briefly discussed in the light of Feinberg's ideas on the nature of half-dressed states in quantum field theory.

  4. How Parallel Are Excited State Potential Energy Surfaces from Time-Independent and Time-Dependent DFT? A BODIPY Dye Case Study.

    PubMed

    Komoto, Keenan T; Kowalczyk, Tim

    2016-10-06

    To support the development and characterization of chromophores with targeted photophysical properties, excited-state electronic structure calculations should rapidly and accurately predict how derivatization of a chromophore will affect its excitation and emission energies. This paper examines whether a time-independent excited-state density functional theory (DFT) approach meets this need through a case study of BODIPY chromophore photophysics. A restricted open-shell Kohn-Sham (ROKS) treatment of the S1 excited state of BODIPY dyes is contrasted with linear-response time-dependent density functional theory (TDDFT). Vertical excitation energies predicted by the two approaches are remarkably different due to overestimation by TDDFT and underestimation by ROKS relative to experiment. Overall, ROKS with a standard hybrid functional provides the more accurate description of the S1 excited state of BODIPY dyes, but excitation energies computed by the two methods are strongly correlated. The two approaches also make similar predictions of shifts in the excitation energy upon functionalization of the chromophore. TDDFT and ROKS models of the S1 potential energy surface are then examined in detail for a representative BODIPY dye through molecular dynamics sampling on both model surfaces. We identify the most significant differences in the sampled surfaces and analyze these differences along selected normal modes. Differences between ROKS and TDDFT descriptions of the S1 potential energy surface for this BODIPY derivative highlight the continuing need for validation of widely used approximations in excited state DFT through experimental benchmarking and comparison to ab initio reference data.

  5. Low energy electron induced cytosine base release in 2′-deoxycytidine-3′-monophosphate via glycosidic bond cleavage: A time-dependent wavepacket study

    SciTech Connect

    Bhaskaran, Renjith; Sarma, Manabendra

    2014-09-14

    Low energy electron (LEE) induced cytosine base release in a selected pyrimidine nucleotide, viz., 2′-deoxycytidine-3′-monophosphate is investigated using ab initio electronic structure methods and time dependent quantum mechanical calculations. It has been noted that the cytosine base scission is comparatively difficult process than the 3′ C–O bond cleavage from the lowest π{sup *} shape resonance in energy region <1 eV. This is mainly due to the high activation energy barrier associated with the electron transfer from the π{sup *} orbital of the base to the σ{sup *} orbital of the glycosidic N–C bond. In addition, the metastable state formed after impinging LEE (0–1 eV) has very short lifetime (10 fs) which may decay in either of the two competing auto-detachment or dissociation process simultaneously. On the other hand, the selected N–C mode may cleave to form the cytosine base anion at higher energy regions (>2 eV) via tunneling of the glycosidic bond. Resonance states generated within this energy regime will exist for a duration of ∼35–55 fs. Comparison of salient features of the two dissociation events, i.e., 3′ C–O single strand break and glycosidic N–C bond cleavage in 3′-dCMPH molecule are also provided.

  6. Time dependent holography

    NASA Astrophysics Data System (ADS)

    Das, Diptarka

    One of the most important results emerging from string theory is the gauge gravity duality (AdS/CFT correspondence) which tells us that certain problems in particular gravitational backgrounds can be exactly mapped to a particular dual gauge theory a quantum theory very similar to the one explaining the interactions between fundamental subatomic particles. The chief merit of the duality is that a difficult problem in one theory can be mapped to a simpler and solvable problem in the other theory. The duality can be used both ways. Most of the current theoretical framework is suited to study equilibrium systems, or systems where time dependence is at most adiabatic. However in the real world, systems are almost always out of equilibrium. Generically these scenarios are described by quenches, where a parameter of the theory is made time dependent. In this dissertation I describe some of the work done in the context of studying quantum quench using the AdS/CFT correspondence. We recover certain universal scaling type of behavior as the quenching is done through a quantum critical point. Another question that has been explored in the dissertation is time dependence of the gravity theory. Present cosmological observations indicate that our universe is accelerating and is described by a spacetime called de-Sitter(dS). In 2011 there had been a speculation over a possible duality between de-Sitter gravity and a particular field theory (Euclidean SP(N) CFT). However a concrete realization of this proposition was still lacking. Here we explicitly derive the dS/CFT duality using well known methods in field theory. We discovered that the time dimension emerges naturally in the derivation. We also describe further applications and extensions of dS/CFT. KEYWORDS: Holography, AdS/CFT correspondence, Quantum Quench, dS/CFT correspondence, Chaos.

  7. Dark energy models in LRS Bianchi type-II space-time in the new perspective of time-dependent deceleration parameter

    NASA Astrophysics Data System (ADS)

    Maurya, Dinesh Chandra; Zia, Rashid; Pradhan, Anirudh

    Before 1998, it was usually expected that the universe was expanding with a constant rate or the expansion was slowing down. In 1998, the surprising discovery based on type Ia supernovae, that the rate of expansion of the universe is increasing, forced the researchers to reconsider the various cosmological models proposed so far. The current study is also an effort to revisit the LRS Bianchi type-II, dark energy (DE) model by taking time-dependent deceleration parameter (DP) instead of constant DP. We have assumed the variable scale factor a(t) = [sinh(αt)] 1 n, which gives the variable DP as q(t) = nsech2(αt) - 1, with these considerations, the solutions of field equations are calculated. Various parameters of DE models are also calculated, and it is found that these are consistent with the recent observations.

  8. Coupled 3D time-dependent quantum wave-packet study of the O + OH reaction in hyperspherical coordinates on the CHIPR potential energy surface

    NASA Astrophysics Data System (ADS)

    Ghosh, Sandip; Sharma, Rahul; Adhikari, Satrajit; Varandas, António J. C.

    2017-05-01

    We report quantum dynamics calculations of the O + OH → H + O2 reaction on the CHIPR (Varandas, 2013) and DMBE IV (Pastrana et al., 1990) potential energy surfaces (PESs) for ground-state HO2 using the 3D time-dependent wavepacket formalism based on hyperspherical coordinates. Reaction probabilities for J = 0 are calculated for several initial rovibrational states of the OH radical (v = 0; j = 0-5). The J-shifting approximation is used to obtain initial state selected rate-coefficients in the range 0-400 K. Total and state-to-state rate-coefficients are predicted in good agreement with recent experimental studies and theoretical calculations.

  9. A simplified relativistic time-dependent density-functional theory formalism for the calculations of excitation energies including spin-orbit coupling effect.

    PubMed

    Wang, Fan; Ziegler, Tom

    2005-10-15

    In the present work we have proposed an approximate time-dependent density-functional theory (TDDFT) formalism to deal with the influence of spin-orbit coupling effect on the excitation energies for closed-shell systems. In this formalism scalar relativistic TDDFT calculations are first performed to determine the lowest single-group excited states and the spin-orbit coupling operator is applied to these single-group excited states to obtain the excitation energies with spin-orbit coupling effects included. The computational effort of the present method is much smaller than that of the two-component TDDFT formalism and this method can be applied to medium-size systems containing heavy elements. The compositions of the double-group excited states in terms of single-group singlet and triplet excited states are obtained automatically from the calculations. The calculated excitation energies based on the present formalism show that this formalism affords reasonable excitation energies for transitions not involving 5p and 6p orbitals. For transitions involving 5p orbitals, one can still obtain acceptable results for excitations with a small truncation error, while the formalism will fail for transitions involving 6p orbitals, especially 6p1/2 spinors.

  10. Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: The D(+)+H2 Reaction on the Triple-Sheeted DMBE Potential Energy Surface.

    PubMed

    Ghosh, Sandip; Sahoo, Tapas; Adhikari, Satrajit; Sharma, Rahul; Varandas, António J C

    2015-12-17

    We implement a coupled three-dimensional (3D) time-dependent wave packet formalism for the 4D reactive scattering problem in hyperspherical coordinates on the accurate double many body expansion (DMBE) potential energy surface (PES) for the ground and first two singlet states (1(1)A', 2(1)A', and 3(1)A') to account for nonadiabatic processes in the D(+) + H2 reaction for both zero and nonzero values of the total angular momentum (J). As the long-range interactions in D(+) + H2 contribute significantly due to nonadiabatic effects, the convergence profiles of reaction probabilities for the reactive noncharge transfer (RNCT), nonreactive charge transfer (NRCT), and reactive charge transfer (RCT) processes are shown for different collisional energies with respect to the helicity (K) and total angular momentum (J) quantum numbers. The total and state-to-state cross sections are presented as a function of the collision energy for the initial rovibrational state v = 0, j = 0 of the diatom, and the calculated cross sections compared with other theoretical and experimental results.

  11. Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules.

    PubMed

    Cao, Yixiang; Hughes, Thomas; Giesen, Dave; Halls, Mathew D; Goldberg, Alexander; Vadicherla, Tati Reddy; Sastry, Madhavi; Patel, Bhargav; Sherman, Woody; Weisman, Andrew L; Friesner, Richard A

    2016-06-15

    We have developed and implemented pseudospectral time-dependent density-functional theory (TDDFT) in the quantum mechanics package Jaguar to calculate restricted singlet and restricted triplet, as well as unrestricted excitation energies with either full linear response (FLR) or the Tamm-Dancoff approximation (TDA) with the pseudospectral length scales, pseudospectral atomic corrections, and pseudospectral multigrid strategy included in the implementations to improve the chemical accuracy and to speed the pseudospectral calculations. The calculations based on pseudospectral time-dependent density-functional theory with full linear response (PS-FLR-TDDFT) and within the Tamm-Dancoff approximation (PS-TDA-TDDFT) for G2 set molecules using B3LYP/6-31G*(*) show mean and maximum absolute deviations of 0.0015 eV and 0.0081 eV, 0.0007 eV and 0.0064 eV, 0.0004 eV and 0.0022 eV for restricted singlet excitation energies, restricted triplet excitation energies, and unrestricted excitation energies, respectively; compared with the results calculated from the conventional spectral method. The application of PS-FLR-TDDFT to OLED molecules and organic dyes, as well as the comparisons for results calculated from PS-FLR-TDDFT and best estimations demonstrate that the accuracy of both PS-FLR-TDDFT and PS-TDA-TDDFT. Calculations for a set of medium-sized molecules, including Cn fullerenes and nanotubes, using the B3LYP functional and 6-31G(**) basis set show PS-TDA-TDDFT provides 19- to 34-fold speedups for Cn fullerenes with 450-1470 basis functions, 11- to 32-fold speedups for nanotubes with 660-3180 basis functions, and 9- to 16-fold speedups for organic molecules with 540-1340 basis functions compared to fully analytic calculations without sacrificing chemical accuracy. The calculations on a set of larger molecules, including the antibiotic drug Ramoplanin, the 46-residue crambin protein, fullerenes up to C540 and nanotubes up to 14×(6,6), using the B3LYP functional and 6-31G

  12. Spectral methods for time dependent problems

    NASA Technical Reports Server (NTRS)

    Tadmor, Eitan

    1990-01-01

    Spectral approximations are reviewed for time dependent problems. Some basic ingredients from the spectral Fourier and Chebyshev approximations theory are discussed. A brief survey was made of hyperbolic and parabolic time dependent problems which are dealt with by both the energy method and the related Fourier analysis. The ideas presented above are combined in the study of accuracy stability and convergence of the spectral Fourier approximation to time dependent problems.

  13. A Gaussian Wave Packet Method for Studying Time Dependent Quantum Mechanics in a Curve Crossing System: Low Energy Motion, Tunneling and Thermal Dissipation.

    DTIC Science & Technology

    1986-02-01

    4) J n j no Using the wave function (I.1) and the conditions (114) in the time dependent Schrodinger equation leads to Hii( ) =Wo~e p[-(R-o...time dependent Schroedinger equation . They are both propagated bv using a variational method. The packets interact and we do not assume that they...incident state mimics the initial wave function, and the other packet is created by the time dependent Schroedinger equation . They are both propagated by

  14. An Eight-Degree-of-Freedom, Time-Dependent Quantum Dynamics Study for the H₂+C₂H Reaction on a New Modified potential Energy Surface

    SciTech Connect

    Wang, Dunyou; Huo, Winifred M.

    2007-10-21

    An eight dimensional time-dependent quantum dynamics wavepacket approach is performed for the study of the H₂+C₂H ! H + C₂H₂ reaction system on a new modified potential energy surface (PES) [Chem. Phys. Lett. 409, 249 (2005)]. This new potential energy surface is obtained by modifying Wang and Bowman's old PES [ J. Chem. Phys. 101, 8646 (1994)] based on the new ab initio calculation. This new modified PES has a much lower transition state barrier height at 2.29 kcal/mol than Wang and Bowman's old PES at 4.3 kcal/mol. This study shows the reactivity for this diatom-triatom reaction system is enchanced by vibrational excitations of H₂; whereas, the vibrational excitations of C₂H only have a small effect on the reactivity. Furthermore, the bending excitations of C₂H, comparing to the ground state reaction probability, hinder the reactivity. The comparison of the rate constant between this calculation and experimental results agree with each other very well. This comparison indicates that the new modified PES corrects the large barrier height problem in Wang and Bowman's old PES.

  15. Energy deposition in STARFIRE reactor components

    SciTech Connect

    Gohar, Y.; Brooks, J.N.

    1985-04-01

    The energy deposition in the STARFIRE commercial tokamak reactor was calculated based on detailed models for the different reactor components. The heat deposition and the 14 MeV neutron flux poloidal distributions in the first wall were obtained. The poloidal surface heat load distribution in the first wall was calculated from the plasma radiation. The Monte Carlo method was used for the calculation to allow an accurate modeling for the reactor geometry.

  16. Simulating One-Photon Absorption and Resonance Raman Scattering Spectra Using Analytical Excited State Energy Gradients within Time-Dependent Density Functional Theory.

    PubMed

    Silverstein, Daniel W; Govind, Niranjan; van Dam, Hubertus J J; Jensen, Lasse

    2013-12-10

    A parallel implementation of analytical time-dependent density functional theory gradients is presented for the quantum chemistry program NWChem. The implementation is based on the Lagrangian approach developed by Furche and Ahlrichs. To validate our implementation, we first calculate the Stokes shifts for a range of organic dye molecules using a diverse set of exchange-correlation functionals (traditional density functionals, global hybrids, and range-separated hybrids) followed by simulations of the one-photon absorption and resonance Raman scattering spectrum of the phenoxyl radical, the well-studied dye molecule rhodamine 6G, and a molecular host-guest complex (TTF⊂CBPQT(4+)). The study of organic dye molecules illustrates that B3LYP and CAM-B3LYP generally give the best agreement with experimentally determined Stokes shifts unless the excited state is a charge transfer state. Absorption, resonance Raman, and fluorescence simulations for the phenoxyl radical indicate that explicit solvation may be required for accurate characterization. For the host-guest complex and rhodamine 6G, it is demonstrated that absorption spectra can be simulated in good agreement with experimental data for most exchange-correlation functionals. However, because one-photon absorption spectra generally lack well-resolved vibrational features, resonance Raman simulations are necessary to evaluate the accuracy of the exchange-correlation functional for describing a potential energy surface.

  17. Simulating One-Photon Absorption and Resonance Raman Scattering Spectra Using Analytical Excited State Energy Gradients within Time-Dependent Density Functional Theory

    SciTech Connect

    Silverstein, Daniel W.; Govind, Niranjan; van Dam, Hubertus J. J.; Jensen, Lasse

    2013-12-10

    A parallel implementation of analytical time-dependent density functional theory gradients is presented for the quantum chemistry program NWChem. The implementation is based on the Lagrangian approach developed by Furche and Ahlrichs. To validate our implementation, we first calculate the Stokes shifts for a range of organic dye molecules using a diverse set of exchange-correlation functionals (traditional density functionals, global hybrids, and range-separated hybrids) followed by simulations of the one-photon absorption and resonance Raman scattering spectrum of the phenoxyl radical, the well-studied dye molecule rhodamine 6G, and a molecular host–guest complex (TTFcCBPQT4+). The study of organic dye molecules illustrates that B3LYP and CAM-B3LYP generally give the best agreement with experimentally determined Stokes shifts unless the excited state is a charge transfer state. Absorption, resonance Raman, and fluorescence simulations for the phenoxyl radical indicate that explicit solvation may be required for accurate characterization. For the host–guest complex and rhodamine 6G, it is demonstrated that absorption spectra can be simulated in good agreement with experimental data for most exchange-correlation functionals. Finally, however, because one-photon absorption spectra generally lack well-resolved vibrational features, resonance Raman simulations are necessary to evaluate the accuracy of the exchange-correlation functional for describing a potential energy surface.

  18. Analysis of time-dependent adaptations in whole-body energy balance in obesity induced by high-fat diet in rats.

    PubMed

    So, Mandy; Gaidhu, Mandeep P; Maghdoori, Babak; Ceddia, Rolando B

    2011-06-16

    by increased energy efficiency and time-dependent reduction in physical activity, favoring fat accumulation. These adaptations were mainly driven by the nutrient composition of the diet, since control and HF animals spontaneously elicited isoenergetic intake.

  19. Time-Dependent Photodissociation Regions

    NASA Technical Reports Server (NTRS)

    Hollenbach, David; Natta, Antonella

    1995-01-01

    We present theoretical models of the time-dependent thermal and chemical structure of molecular gas suddenly exposed to far-ultraviolet (FUV) (6 eV less than hv less than 13.6 eV) radiation fields and the consequent time- dependent infrared emission of the gas. We focus on the response of molecular hydrogen for cloud densities ranging from n = 10(exp 3) to 10(exp 6)/cu cm and FUV fluxes G(sub 0) = 10(exp 3)-10(exp 6) times the local FUV interstellar flux. For G(sub 0)/n greater than 10(exp -2) cu cm, the emergent H(sub 2) vibrational line intensities are initially larger than the final equilibrium values. The H(sub 2) lines are excited by FUV fluorescence and by collisional excitation in warm gas. Most of the H(sub 2) intensity is generated at a characteristic hydrogen column density of N approximately 10(exp 21)/sq cm, which corresponds to an FUV optical depth of unity caused by dust opacity. The time dependence of the H(sub 2) intensities arises because the initial abundances of H(sub 2) at these depths is much higher than the equilibrium values, so that H(sub 2) initially competes more effectively with dust in absorbing FUV photons. Considerable column densities of warm (T approximately 1000) K H(sub 2) gas can be produced by the FUV pumping of H(sub 2) vibrational levels followed by collisional de-excitation, which transfers the energy to heat. In dense (n greater than or approximately 10(exp 5)/cu cm) gas exposed to high (G(sub 0) greater than or approximately 10(exp 4)) fluxes, this warm gas produces a 2-1 S(1)/1-0 S(l) H(sub 2) line ratio of approximately 0.1, which mimics the ratio found in shocked gas. In lower density regions, the FUV pumping produces a pure-fluorescent ratio of approximately 0.5. We also present calculations of the time dependence of the atomic hydrogen column densities and of the intensities of 0 I 6300 A, S II 6730 A, Fe II 1.64 microns, and rotational OH and H20 emission. Potential applications include star-forming regions, clouds

  20. A seven-degree-of-freedom, time-dependent quantum dynamics study on the energy efficiency in surmounting the central energy barrier of the OH + CH{sub 3} → O + CH{sub 4} reaction

    SciTech Connect

    Yan, Pengxiu; Wang, Yuping; Li, Yida; Wang, Dunyou

    2015-04-28

    A time-dependent, quantum reaction dynamics calculation with seven degrees of freedom was carried out to study the energy efficiency in surmounting the approximate center energy barrier of OH + CH{sub 3}. The calculation shows the OH vibration excitations greatly enhance the reactivity, whereas the vibrational excitations of CH{sub 3} and the rotational excitations hinder the reactivity. On the basis of equal amount of total energy, although this reaction has a slight early barrier, it is the OH vibrational energy that is the dominate force in promoting the reactivity, not the translational energy. The studies on both the forward O + CH{sub 4} and reverse OH + CH{sub 3} reactions demonstrate, for these central barrier reactions, a small change of the barrier location can significantly change the energy efficacy roles on the reactivity. The calculated rate constants agree with the experimental data.

  1. Testing Noncollinear Spin-Flip, Collinear Spin-Flip, and Conventional Time-Dependent Density Functional Theory for Predicting Electronic Excitation Energies of Closed-Shell Atoms.

    PubMed

    Xu, Xuefei; Yang, Ke R; Truhlar, Donald G

    2014-05-13

    Conventional time-dependent density functional theory (TDDFT) is based on a closed-shell Kohn-Sham (KS) singlet ground state with the adiabatic approximation, using either linear response (KS-LR) or the Tamm-Dancoff approximation (KS-TDA); these methods can only directly predict singly excited states. This deficiency can be overcome by using a triplet state as the reference in the KS-TDA approximation and "exciting" the singlet by a spin flip (SF) from the triplet; this is the method suggested by Krylov and co-workers, and we abbreviate this procedure as SF-KS-TDA. SF-KS-TDA can be applied either with the original collinear kernel of Krylov and co-workers or with a noncollinear kernel, as suggested by Wang and Ziegler. The SF-KS-TDA method does bring some new practical difficulties into play, but it can at least formally model doubly excited states and states with double-excitation character, so it might be more useful than conventional TDDFT (both KS-LR and KS-TDA) for photochemistry if these additional difficulties can be surmounted and if it is accurate with existing approximate exchange-correlation functionals. In the present work, we carried out calculations specifically designed to understand better the accuracy and limitations of the conventional TDDFT and SF-KS-TDA methods; we did this by studying closed-shell atoms and closed-shell monatomic cations because they provide a simple but challenging testing ground for what we might expect in studying the photochemistry of molecules with closed-shell ground states. To test their accuracy, we applied conventional KS-LR and KS-TDA and 18 versions of SF-KS-TDA (nine collinear and nine noncollinear) to the same set of vertical excitation energies (including both Rydberg and valence excitations) of Be, B(+), Ne, Na(+), Mg, and Al(+). We did this for 10 exchange-correlation functionals of various types, both local and nonlocal. We found that the GVWN5 and M06 functionals with nonlocal kernels in spin-flip calculations

  2. Time-dependent photoelectron angular distributions

    NASA Astrophysics Data System (ADS)

    Wang, Xiangyang

    1999-09-01

    I show that the angular distribution of electrons photoionized from gas phase targets by short light pulses is time-dependent, when the orbital momentum composition of the photocurrent changes with excitation energy so evolves with the time of detection. A theory of time- dependent photoionization is outlined and general formulas of time-dependent photoelectron flux and angular distribution are given. Two general propagator methods suitable to describe the time-dependent photoionization and scattering processes are developed. The photoionization process is viewed as a local excitation followed by a half scattering. The local excitation process is solved theoretically in a small region around the target core. This approach has been generalized to describe the evolution of a wavepacket in an unbound system. An asymptotic propagator theorem is discovered and used to derive analytic expressions for asymptotic propagators. The origin of the time dependence is explored by parameterizing the time delay and orbital momentum coupling in a two channel model. K-shell photoionization of N2 and CO are calculated with this time- dependent photoionization theory, implemented using a multiple scattering model. Numerical results demonstrate that the time dependence of photoelectron angular distributions is a realistic effect.

  3. Time Dependent Nuclear Scattering Calculations

    NASA Astrophysics Data System (ADS)

    Weeks, David

    2005-04-01

    A new time dependent method for calculating scattering matrix elements of two and three body nuclear collisions below 50 Mev is being developed. The procedure closely follows the channel packet method (CPM) used to compute scattering matrix elements for non-adiabatic molecular reactions.ootnotetextT.A.Niday and D.E.Weeks, Chem. Phys. Letters 308 (1999) 106 Currently, one degree of freedom calculations using a simple square well have been completed and a two body scattering calculation using the Yukawa potential is anticipated. To perform nuclear scattering calculations with the CPM that will incorporate the nucleon-nucleon tensor force, we plan to position initial reactant and product channel packets in the asymptotic limit on single coupled potential energy surfaces labeled by the spin, isospin, and total angular momentum of the reactant nucleons. The wave packets will propagated numerically using the split operator method augmented by a coordinate dependant unitary transformation used to diagonalize the potential. Scattering matrix elements will be determined by the Fourier transform of the correlation function between the evolving reactant and product wave packets. A brief outline of the Argonne v18 nucleon-nucleon potentialootnotetextR.B.Wiringa, V.G.J.Stoks, and R.Schiavilla, Physical Review C 51(1995) 38 and the proposed wave packet calculations will be presented.

  4. Calorimetric sensors for energy deposition measurements

    SciTech Connect

    Langenbrunner, J.; Cooper, R.; Morgan, G.

    1998-12-31

    A calorimetric sensor with several novel design features has been developed. These sensors will provide an accurate sampling of thermal power density and energy deposition from proton beams incident on target components of accelerator-based systems, such as the Accelerator Production of Tritium Project (APT) and the Spallation Neutron Source (SNS). A small, solid slug (volume = 0.347 cc) of target material is suspended by kevlar fibers and surrounded by an adiabatic enclosure in an insulating vacuum canister of stainless steel construction. The slug is in thermal contact with a low-mass, calibrated, 100-k{Omega} thermistor. Power deposition caused by the passage of radiation through the slug is calculated from the rate of temperature rise of the slug. The authors have chosen slugs composed of Pb, Al, and LiAl.

  5. Invariants for time-dependent Hamiltonian systems.

    PubMed

    Struckmeier, J; Riedel, C

    2001-08-01

    An exact invariant is derived for n-degree-of-freedom Hamiltonian systems with general time-dependent potentials. The invariant is worked out in two equivalent ways. In the first approach, we define a special Ansatz for the invariant and determine its time-dependent coefficients. In the second approach, we perform a two-step canonical transformation of the initially time-dependent Hamiltonian to a time-independent one. The invariant is found to contain a function of time f(2)(t), defined as a solution of a linear third-order differential equation whose coefficients depend in general on the explicitly known configuration space trajectory that follows from the system's time evolution. It is shown that the invariant can be interpreted as the time integral of an energy balance equation. Our result is applied to a one-dimensional, time-dependent, damped non-linear oscillator, and to a three-dimensional system of Coulomb-interacting particles that are confined in a time-dependent quadratic external potential. We finally show that our results can be used to assess the accuracy of numerical simulations of time-dependent Hamiltonian systems.

  6. Time-dependent drift Hamiltonian

    SciTech Connect

    Boozer, A.H.

    1983-03-01

    The lowest-order drift equations are given in a canonical magnetic coordinate form for time-dependent magnetic and electric fields. The advantages of the canonical Hamiltonian form are also discussed.

  7. Laser energy deposition and its dynamic uniformity for direct-drive capsules

    NASA Astrophysics Data System (ADS)

    Xu, Yan; Wu, SiZhong; Zheng, WuDi

    2015-04-01

    The total laser energy deposition of multi-laser-beam irradiation is not only associated with the dynamic behavior of capsule but also the time-dependent angular distribution of the energy deposition of each beam around its axis. The dynamic behavior of laser energy deposition does not linearly respond to the dynamic behavior of laser irradiation. The laser energy deposition uniformity determines the symmetry of implosion. The dynamic behavior of laser energy deposition non-uniformity in OMEGA for laser with square beam shape intensity profile is investigated. In the case of smaller laser spot, the initial non-uniformity caused by laser beam overlap is very high. The shell asymmetry caused by the high initial laser irradiation non-uniformity is estimated by the extent of distortion of shock front which is not as severe as expected before the shock driven by main pulse arrives. This suggests that the large initial non-uniformity due to smaller laser spot is one of the elements that seed disturbance before the main pulse. The rms of laser energy deposition during the main pulse remains above 2%. Since the intensity of main driving pulse usually is several times higher than that of picket pulses, the non-uniformity in main pulse period may jeopardize the symmetrical implosion. When dynamic behavior of capsule is considered, the influence of beam pointing error, the target positioning error, and beam-to-beam power unbalance is quite different for the case of static capsule.

  8. Laser energy deposition and its dynamic uniformity for direct-drive capsules

    SciTech Connect

    Xu, Yan; Wu, SiZhong; Zheng, WuDi

    2015-04-15

    The total laser energy deposition of multi-laser-beam irradiation is not only associated with the dynamic behavior of capsule but also the time-dependent angular distribution of the energy deposition of each beam around its axis. The dynamic behavior of laser energy deposition does not linearly respond to the dynamic behavior of laser irradiation. The laser energy deposition uniformity determines the symmetry of implosion. The dynamic behavior of laser energy deposition non-uniformity in OMEGA for laser with square beam shape intensity profile is investigated. In the case of smaller laser spot, the initial non-uniformity caused by laser beam overlap is very high. The shell asymmetry caused by the high initial laser irradiation non-uniformity is estimated by the extent of distortion of shock front which is not as severe as expected before the shock driven by main pulse arrives. This suggests that the large initial non-uniformity due to smaller laser spot is one of the elements that seed disturbance before the main pulse. The rms of laser energy deposition during the main pulse remains above 2%. Since the intensity of main driving pulse usually is several times higher than that of picket pulses, the non-uniformity in main pulse period may jeopardize the symmetrical implosion. When dynamic behavior of capsule is considered, the influence of beam pointing error, the target positioning error, and beam-to-beam power unbalance is quite different for the case of static capsule.

  9. Testing time-dependent density functional theory with depopulated molecular orbitals for predicting electronic excitation energies of valence, Rydberg, and charge-transfer states and potential energies near a conical intersection

    SciTech Connect

    Li, Shaohong L.; Truhlar, Donald G.

    2014-09-14

    Kohn-Sham (KS) time-dependent density functional theory (TDDFT) with most exchange-correlation functionals is well known to systematically underestimate the excitation energies of Rydberg and charge-transfer excited states of atomic and molecular systems. To improve the description of Rydberg states within the KS TDDFT framework, Gaiduk et al. [Phys. Rev. Lett. 108, 253005 (2012)] proposed a scheme that may be called HOMO depopulation. In this study, we tested this scheme on an extensive dataset of valence and Rydberg excitation energies of various atoms, ions, and molecules. It is also tested on a charge-transfer excitation of NH{sub 3}-F{sub 2} and on the potential energy curves of NH{sub 3} near a conical intersection. We found that the method can indeed significantly improve the accuracy of predicted Rydberg excitation energies while preserving reasonable accuracy for valence excitation energies. However, it does not appear to improve the description of charge-transfer excitations that are severely underestimated by standard KS TDDFT with conventional exchange-correlation functionals, nor does it perform appreciably better than standard TDDFT for the calculation of potential energy surfaces.

  10. Interaction region design driven by energy deposition

    NASA Astrophysics Data System (ADS)

    Martin, Roman; Besana, Maria Ilaria; Cerutti, Francesco; Langner, Andy; Tomás, Rogelio; Cruz-Alaniz, Emilia; Dalena, Barbara

    2017-08-01

    The European Strategy Group for High Energy Physics recommends to study collider designs for the post-LHC era. Among the suggested projects there is the circular 100 TeV proton-proton collider FCC-hh. Starting from LHC and its proposed upgrade HL-LHC, this paper outlines the development of the interaction region design for FCC-hh. We identify energy deposition from debris of the collision events as a driving factor for the layout and draft the guiding principles to unify protection of the superconducting final focus magnets from radiation with a high luminosity performance. Furthermore, we offer a novel strategy to mitigate the lifetime limitation of the first final focus magnet due to radiation load, the Q1 split.

  11. Energy deposition calculated by PHITS code in Pb spallation target

    NASA Astrophysics Data System (ADS)

    Yu, Quanzhi

    2016-01-01

    Energy deposition in a Pb spallation target irradiated by high energetic protons was calculated by PHITS2.52 code. The validation of the energy deposition and neutron production calculated by PHITS code was performed. Results show good agreements between the simulation results and the experimental data. Detailed comparison shows that for the total energy deposition, PHITS simulation result was about 15% overestimation than that of the experimental data. For the energy deposition along the length of the Pb target, the discrepancy mainly presented at the front part of the Pb target. Calculation indicates that most of the energy deposition comes from the ionizations of the primary protons and the produced secondary particles. With the event generator mode of PHITS, the deposit energy distribution for the particles and the light nulclei is presented for the first time. It indicates that the primary protons with energy more than 100 MeV are the most contributors to the total energy deposition. The energy depositions peaking at 10 MeV and 0.1 MeV, are mainly caused by the electrons, pions, d, t, 3He and also α particles during the cascade process and the evaporation process, respectively. The energy deposition density caused by different proton beam profiles are also calculated and compared. Such calculation and analyses are much helpful for better understanding the physical mechanism of energy deposition in the spallation target, and greatly useful for the thermal hydraulic design of the spallation target.

  12. Time dependent view factor methods

    SciTech Connect

    Kirkpatrick, R.C.

    1998-03-01

    View factors have been used for treating radiation transport between opaque surfaces bounding a transparent medium for several decades. However, in recent years they have been applied to problems involving intense bursts of radiation in enclosed volumes such as in the laser fusion hohlraums. In these problems, several aspects require treatment of time dependence.

  13. The simulated features of heliospheric cosmic-ray modulation with a time-dependent drift model. II - On the energy dependence of the onset of new modulation in 1987

    NASA Technical Reports Server (NTRS)

    Le Roux, J. A.; Potgieter, M. S.

    1992-01-01

    Time-dependent heliospheric cosmic-ray modulation for the period 1985-1989 is simulated by means of a time-dependent axially symmetric drift model with an emulated wavy heliospheric neutral sheet (HNS). The model is used to extend previous calculations to other energies in order to study a possible energy-dependence of the onset of new modulation at various radial distances in 1987. The model, with the outward propagating changes of the HNS as the only time-dependent parameters, is found to predict essentially no energy-dependence in the time when new modulation started in the simulated 1987. When a more practical approach in defining 'constant' modulation in 1987 is followed, the present calculations can be interpreted to indicate that the end of the recovery period in 1987 happened progressively earlier and the onset of new modulation progressively later the higher the rigidity of the cosmic rays. This period of relatively unchanged modulation is predicted to last longer with increasing radial distance.

  14. Laser energy deposition in crossing shock interaction

    NASA Astrophysics Data System (ADS)

    Yan, H.; Knight, D.; Elliott, G.

    A combined computational and experimental study was performed to investigate the effect of a single laser energy pulse on the transition from a Mach Reflection (MR) to a Regular Reflection (RR) in the Dual Solution Domain (DSD). The freestream Mach number is 3.45 and two oblique shock waves are formed by two symmetric 22° wedges. These conditions correspond to a point midway within the DSD wherein either an MR or an RR is possible. A steady MR was first obtained experimentally and numerically, then a single laser pulse was deposited above the horizontal center plane. The experiment showed that the Mach stem height decreased to 30% of its original height due to the interaction with the thermal spot generated by the laser pulse and then returned to its original height by 300μs. That the Mach stem returned to its original height was most likely due to freestream turbulence in the wind tunnel. The numerical simulation successfully predicted the reverse transition from a stable MR to a stable RR and the stable RR persisted across the span. This study showed the capability of a laser energy pulse to control the reverse transition of MR → RR within the Dual Solution Domain.

  15. Energy Deposition Processes in Titan's Upper Atmosphere

    NASA Technical Reports Server (NTRS)

    Sittler, Edward C., Jr.; Bertucci, Cesar; Coates, Andrew; Cravens, Tom; Dandouras, Iannis; Shemansky, Don

    2008-01-01

    Most of Titan's atmospheric organic and nitrogen chemistry, aerosol formation, and atmospheric loss are driven from external energy sources such as Solar UV, Saturn's magnetosphere, solar wind and galactic cosmic rays. The Solar UV tends to dominate the energy input at lower altitudes of approximately 1100 km but which can extend down to approximately 400 km, while the plasma interaction from Saturn's magnetosphere, Saturn's magnetosheath or solar wind are more important at higher altitudes of approximately 1400 km, but the heavy ion plasma [O(+)] of approximately 2 keV and energetic ions [H(+)] of approximately 30 keV or higher from Saturn's magnetosphere can penetrate below 950km. Cosmic rays with energies of greater than 1 GeV can penetrate much deeper into Titan's atmosphere with most of its energy deposited at approximately 100 km altitude. The haze layer tends to dominate between 100 km and 300 km. The induced magnetic field from Titan's interaction with the external plasma can be very complex and will tend to channel the flow of energy into Titan's upper atmosphere. Cassini observations combined with advanced hybrid simulations of the plasma interaction with Titan's upper atmosphere show significant changes in the character of the interaction with Saturn local time at Titan's orbit where the magnetosphere displays large and systematic changes with local time. The external solar wind can also drive sub-storms within the magnetosphere which can then modify the magnetospheric interaction with Titan. Another important parameter is solar zenith angle (SZA) with respect to the co-rotation direction of the magnetospheric flow. Titan's interaction can contribute to atmospheric loss via pickup ion loss, scavenging of Titan's ionospheric plasma, loss of ionospheric plasma down its induced magnetotail via an ionospheric wind, and non-thermal loss of the atmosphere via heating and sputtering induced by the bombardment of magnetospheric keV ions and electrons. This

  16. Energy Deposition Processes in Titan's Upper Atmosphere

    NASA Technical Reports Server (NTRS)

    Sittler, Edward C., Jr.; Bertucci, Cesar; Coates, Andrew; Cravens, Tom; Dandouras, Iannis; Shemansky, Don

    2008-01-01

    Most of Titan's atmospheric organic and nitrogen chemistry, aerosol formation, and atmospheric loss are driven from external energy sources such as Solar UV, Saturn's magnetosphere, solar wind and galactic cosmic rays. The Solar UV tends to dominate the energy input at lower altitudes of approximately 1100 km but which can extend down to approximately 400 km, while the plasma interaction from Saturn's magnetosphere, Saturn's magnetosheath or solar wind are more important at higher altitudes of approximately 1400 km, but the heavy ion plasma [O(+)] of approximately 2 keV and energetic ions [H(+)] of approximately 30 keV or higher from Saturn's magnetosphere can penetrate below 950km. Cosmic rays with energies of greater than 1 GeV can penetrate much deeper into Titan's atmosphere with most of its energy deposited at approximately 100 km altitude. The haze layer tends to dominate between 100 km and 300 km. The induced magnetic field from Titan's interaction with the external plasma can be very complex and will tend to channel the flow of energy into Titan's upper atmosphere. Cassini observations combined with advanced hybrid simulations of the plasma interaction with Titan's upper atmosphere show significant changes in the character of the interaction with Saturn local time at Titan's orbit where the magnetosphere displays large and systematic changes with local time. The external solar wind can also drive sub-storms within the magnetosphere which can then modify the magnetospheric interaction with Titan. Another important parameter is solar zenith angle (SZA) with respect to the co-rotation direction of the magnetospheric flow. Titan's interaction can contribute to atmospheric loss via pickup ion loss, scavenging of Titan's ionospheric plasma, loss of ionospheric plasma down its induced magnetotail via an ionospheric wind, and non-thermal loss of the atmosphere via heating and sputtering induced by the bombardment of magnetospheric keV ions and electrons. This

  17. Spike-timing-dependent construction.

    PubMed

    Lightheart, Toby; Grainger, Steven; Lu, Tien-Fu

    2013-10-01

    Spike-timing-dependent construction (STDC) is the production of new spiking neurons and connections in a simulated neural network in response to neuron activity. Following the discovery of spike-timing-dependent plasticity (STDP), significant effort has gone into the modeling and simulation of adaptation in spiking neural networks (SNNs). Limitations in computational power imposed by network topology, however, constrain learning capabilities through connection weight modification alone. Constructive algorithms produce new neurons and connections, allowing automatic structural responses for applications of unknown complexity and nonstationary solutions. A conceptual analogy is developed and extended to theoretical conditions for modeling synaptic plasticity as network construction. Generalizing past constructive algorithms, we propose a framework for the design of novel constructive SNNs and demonstrate its application in the development of simulations for the validation of developed theory. Potential directions of future research and applications of STDC for biological modeling and machine learning are also discussed.

  18. Why are time-dependent density functional theory excitations in solids equal to band structure energy gaps for semilocal functionals, and how does nonlocal Hartree-Fock-type exchange introduce excitonic effects?

    PubMed

    Izmaylov, Artur F; Scuseria, Gustavo E

    2008-07-21

    We examine the time-dependent density functional theory (TD-DFT) equations for calculating excitation energies in solids with Gaussian orbitals and analytically show that for semilocal functionals, their lowest eigenvalue collapses to the minimum band orbital energy difference. With the introduction of nonlocal Hartree-Fock-type exchange (as in hybrid functionals), this result is no longer valid, and the lowest TD-DFT eigenvalue reflects the appearance of excitonic effects. Previously reported "charge-transfer" problems with semilocal TD-DFT excitations in molecules can be deduced from our analysis by taking the limit to infinite lattice constant.

  19. Time-dependent interstellar chemistry

    NASA Technical Reports Server (NTRS)

    Glassgold, A. E.

    1985-01-01

    Some current problems in interstellar chemistry are considered in the context of time-dependent calculations. The limitations of steady-state models of interstellar gas-phase chemistry are discussed, and attempts to chemically date interstellar clouds are reviewed. The importance of studying the physical and chemical properties of interstellar dust is emphasized. Finally, the results of a series of studies of collapsing clouds are described.

  20. Time-dependent mean-field determination of the excitation energy in transfer reactions: Application to the reaction 238U on 12C at 6.14 MeV/nucleon

    NASA Astrophysics Data System (ADS)

    Scamps, G.; Rodríguez-Tajes, C.; Lacroix, D.; Farget, F.

    2017-02-01

    The internal excitation of nuclei after multinucleon transfer is estimated by using the time-dependent mean-field theory. Transfer probabilities for each channel as well as the energy loss after reseparation are calculated. By combining these two pieces of information, we show that the excitation energy distribution of the transfer fragments can be obtained separately for the different transfer channels. The method is applied to the reaction involving a 238U beam on a 12C target, which has recently been measured at GANIL. It is shown that the excitation energy calculated with the microscopic theory compares well with the experimental observation, provided that the competition with fusion is properly taken into account. The reliability of the excitation energy is further confirmed by the comparison with the phenomenological heavy-ion phase-space model at higher center-of-mass energies.

  1. Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi-configuration time-dependent Hartree (MCTDH) approach

    SciTech Connect

    Sadri, Keyvan Meyer, Hans-Dieter; Lauvergnat, David; Gatti, Fabien

    2014-09-21

    For computational rovibrational spectroscopy the choice of the frame is critical for an approximate separation of overall rotation from internal motions. To minimize the coupling between internal coordinates and rotation, Eckart proposed a condition [“Some studies concerning rotating axes and polyatomic molecules,” Phys. Rev. 47, 552–558 (1935)] and a frame that fulfills this condition is hence called an Eckart frame. A method is developed to introduce in a systematic way the Eckart frame for the expression of the kinetic energy operator (KEO) in the polyspherical approach. The computed energy levels of a water molecule are compared with those obtained using a KEO in the standard definition of the Body-fixed frame of the polyspherical approach. The KEO in the Eckart frame leads to a faster convergence especially for large J states and vibrationally excited states. To provide an example with more degrees of freedom, rotational states of the vibrational ground state of the trans nitrous acid (HONO) are also investigated.

  2. Dissipative time-dependent quantum transport theory.

    PubMed

    Zhang, Yu; Yam, Chi Yung; Chen, GuanHua

    2013-04-28

    A dissipative time-dependent quantum transport theory is developed to treat the transient current through molecular or nanoscopic devices in presence of electron-phonon interaction. The dissipation via phonon is taken into account by introducing a self-energy for the electron-phonon coupling in addition to the self-energy caused by the electrodes. Based on this, a numerical method is proposed. For practical implementation, the lowest order expansion is employed for the weak electron-phonon coupling case and the wide-band limit approximation is adopted for device and electrodes coupling. The corresponding hierarchical equation of motion is derived, which leads to an efficient and accurate time-dependent treatment of inelastic effect on transport for the weak electron-phonon interaction. The resulting method is applied to a one-level model system and a gold wire described by tight-binding model to demonstrate its validity and the importance of electron-phonon interaction for the quantum transport. As it is based on the effective single-electron model, the method can be readily extended to time-dependent density functional theory.

  3. A Time Dependent Transport Equation Solver

    DTIC Science & Technology

    1991-05-01

    Using TWIGL Mesh Spacing ............. 63 11 Initial FEMP2D Flux Using 2X TWIGL Mesh Spacing ........ .. 64 12 Time Dependent Thermal Absorption...energy group, and g = G is the lowest ( thermal ) energy group. ?oo(r, E, t) the coefficient in the P approximation that phys- ically r’iDresents the total...than these MrPs. This suggest that the thermal flux calculations could be suspect. Indeed, both the FEMP2D and FMP2DT calculations showed that the

  4. Time-dependent coupling of electron energy distribution function, vibrational kinetics of the asymmetric mode of CO2 and dissociation, ionization and electronic excitation kinetics under discharge and post-discharge conditions

    NASA Astrophysics Data System (ADS)

    Pietanza, L. D.; Colonna, G.; D'Ammando, G.; Capitelli, M.

    2017-01-01

    A time-dependent self-consistent model based on the coupling of the Boltzmann equation for the electron energy distribution function (EEDF) with the non-equilibrium vibrational kinetics of the asymmetric mode, as well as a simplified global model, have been implemented for a pure CO2 plasma. The simplified time-dependent global model takes into account dissociation and ionization as well as the reverse of these processes. It also takes into account the excitation/de-excitation of an electronic excited state at 10.5 eV. The model has been applied to describe the discharge and post-discharge conditions typically met in an atmospheric-pressure dielectric barrier discharge (DBD) and in a moderate-pressure microwave discharge. The reported results show the strong coupling between the excited state and the electron energy distribution kinetics due to superelastic (vibrational and electronic) collisions. Moreover, the dissociation rate from a pure vibrational mechanism can become competitive with the corresponding rate from the direct electron impact mechanism at high values of vibrational temperature.

  5. Evidence for anisotropic dielectric properties of monoclinic hafnia using valence electron energy-loss spectroscopy in high-resolution transmission electron microscopy and ab initio time-dependent density-functional theory

    NASA Astrophysics Data System (ADS)

    Guedj, C.; Hung, L.; Zobelli, A.; Blaise, P.; Sottile, F.; Olevano, V.

    2014-12-01

    The effect of nanocrystal orientation on the energy loss spectra of monoclinic hafnia (m-HfO2) is measured by high resolution transmission electron microscopy (HRTEM) and valence energy loss spectroscopy (VEELS) on high quality samples. For the same momentum-transfer directions, the dielectric properties are also calculated ab initio by time-dependent density-functional theory (TDDFT). Experiments and simulations evidence anisotropy in the dielectric properties of m-HfO2, most notably with the direction-dependent oscillator strength of the main bulk plasmon. The anisotropic nature of m-HfO2 may contribute to the differences among VEELS spectra reported in literature. The good agreement between the complex dielectric permittivity extracted from VEELS with nanometer spatial resolution, TDDFT modeling, and past literature demonstrates that the present HRTEM-VEELS device-oriented methodology is a possible solution to the difficult nanocharacterization challenges given in the International Technology Roadmap for Semiconductors.

  6. Evidence for anisotropic dielectric properties of monoclinic hafnia using valence electron energy-loss spectroscopy in high-resolution transmission electron microscopy and ab initio time-dependent density-functional theory

    SciTech Connect

    Guedj, C.; Hung, L.; Sottile, F.; Zobelli, A.; Blaise, P.; Olevano, V.

    2014-12-01

    The effect of nanocrystal orientation on the energy loss spectra of monoclinic hafnia (m-HfO{sub 2}) is measured by high resolution transmission electron microscopy (HRTEM) and valence energy loss spectroscopy (VEELS) on high quality samples. For the same momentum-transfer directions, the dielectric properties are also calculated ab initio by time-dependent density-functional theory (TDDFT). Experiments and simulations evidence anisotropy in the dielectric properties of m-HfO{sub 2}, most notably with the direction-dependent oscillator strength of the main bulk plasmon. The anisotropic nature of m-HfO{sub 2} may contribute to the differences among VEELS spectra reported in literature. The good agreement between the complex dielectric permittivity extracted from VEELS with nanometer spatial resolution, TDDFT modeling, and past literature demonstrates that the present HRTEM-VEELS device-oriented methodology is a possible solution to the difficult nanocharacterization challenges given in the International Technology Roadmap for Semiconductors.

  7. Network-timing-dependent plasticity

    PubMed Central

    Delattre, Vincent; Keller, Daniel; Perich, Matthew; Markram, Henry; Muller, Eilif B.

    2015-01-01

    Bursts of activity in networks of neurons are thought to convey salient information and drive synaptic plasticity. Here we report that network bursts also exert a profound effect on Spike-Timing-Dependent Plasticity (STDP). In acute slices of juvenile rat somatosensory cortex we paired a network burst, which alone induced long-term depression (LTD), with STDP-induced long-term potentiation (LTP) and LTD. We observed that STDP-induced LTP was either unaffected, blocked or flipped into LTD by the network burst, and that STDP-induced LTD was either saturated or flipped into LTP, depending on the relative timing of the network burst with respect to spike coincidences of the STDP event. We hypothesized that network bursts flip STDP-induced LTP to LTD by depleting resources needed for LTP and therefore developed a resource-dependent STDP learning rule. In a model neural network under the influence of the proposed resource-dependent STDP rule, we found that excitatory synaptic coupling was homeostatically regulated to produce power law distributed burst amplitudes reflecting self-organized criticality, a state that ensures optimal information coding. PMID:26106298

  8. Network-timing-dependent plasticity.

    PubMed

    Delattre, Vincent; Keller, Daniel; Perich, Matthew; Markram, Henry; Muller, Eilif B

    2015-01-01

    Bursts of activity in networks of neurons are thought to convey salient information and drive synaptic plasticity. Here we report that network bursts also exert a profound effect on Spike-Timing-Dependent Plasticity (STDP). In acute slices of juvenile rat somatosensory cortex we paired a network burst, which alone induced long-term depression (LTD), with STDP-induced long-term potentiation (LTP) and LTD. We observed that STDP-induced LTP was either unaffected, blocked or flipped into LTD by the network burst, and that STDP-induced LTD was either saturated or flipped into LTP, depending on the relative timing of the network burst with respect to spike coincidences of the STDP event. We hypothesized that network bursts flip STDP-induced LTP to LTD by depleting resources needed for LTP and therefore developed a resource-dependent STDP learning rule. In a model neural network under the influence of the proposed resource-dependent STDP rule, we found that excitatory synaptic coupling was homeostatically regulated to produce power law distributed burst amplitudes reflecting self-organized criticality, a state that ensures optimal information coding.

  9. Ionizing Energy Depositions After Fast Neutron Interactions in Silicon

    DOE PAGES

    Bergmann, Benedikt; Pospisil, Stanislav; Caicedo, Ivan; ...

    2016-06-01

    In our study we present the ionizing energy depositions in a 300 μm thick silicon layer after fast neutron impact. With the Time-of-Flight (ToF) technique, the ionizing energy deposition spectra of recoil silicons and secondary charged particles were assigned to (quasi-)monoenergetic neutron energies in the range from 180 keV to hundreds of MeV. We also show and interpret representative measured energy spectra. By separating the ionizing energy losses of the recoil silicon from energy depositions by products of nuclear reactions, the competition of ionizing (IEL) and non-ionizing energy losses (NIEL) of a recoil silicon within the silicon lattice was investigated.more » Furthermore, the data give supplementary information to the results of a previous measurement and are compared with different theoretical predictions.« less

  10. Ionizing Energy Depositions After Fast Neutron Interactions in Silicon

    SciTech Connect

    Bergmann, Benedikt; Pospisil, Stanislav; Caicedo, Ivan; Kierstead, James; Takai, Helio; Frojdh, Erik

    2016-06-01

    In our study we present the ionizing energy depositions in a 300 μm thick silicon layer after fast neutron impact. With the Time-of-Flight (ToF) technique, the ionizing energy deposition spectra of recoil silicons and secondary charged particles were assigned to (quasi-)monoenergetic neutron energies in the range from 180 keV to hundreds of MeV. We also show and interpret representative measured energy spectra. By separating the ionizing energy losses of the recoil silicon from energy depositions by products of nuclear reactions, the competition of ionizing (IEL) and non-ionizing energy losses (NIEL) of a recoil silicon within the silicon lattice was investigated. Furthermore, the data give supplementary information to the results of a previous measurement and are compared with different theoretical predictions.

  11. Ionizing Energy Depositions After Fast Neutron Interactions in Silicon

    SciTech Connect

    Bergmann, Benedikt; Pospisil, Stanislav; Caicedo, Ivan; Kierstead, James; Takai, Helio; Frojdh, Erik

    2016-06-01

    In our study we present the ionizing energy depositions in a 300 μm thick silicon layer after fast neutron impact. With the Time-of-Flight (ToF) technique, the ionizing energy deposition spectra of recoil silicons and secondary charged particles were assigned to (quasi-)monoenergetic neutron energies in the range from 180 keV to hundreds of MeV. We also show and interpret representative measured energy spectra. By separating the ionizing energy losses of the recoil silicon from energy depositions by products of nuclear reactions, the competition of ionizing (IEL) and non-ionizing energy losses (NIEL) of a recoil silicon within the silicon lattice was investigated. Furthermore, the data give supplementary information to the results of a previous measurement and are compared with different theoretical predictions.

  12. Time dependence of PEB effects

    NASA Astrophysics Data System (ADS)

    Yanagishita, Yuichiro; Shigematsu, Kazumasa; Yanagida, Kimio

    1990-06-01

    Though simulations of PEB (Post Exposure Bake) on the basis of PAC diffusion mode! have been carried out by a number of researchers '' (2) , it has never been confirmed that those could predict experimental data caused by PEB' s effects accurately . Because no details of chemical reactions thernlly induced by PEB are known, fundamental parameters which determine PEB' s effects must be obtained experimentally. We have acquired the volume of changes of development rate function, RATE(M) by PEB with DRM monitoring for some types of photoresist . The values of diffusion length have been obtained by means of compareing experimental B (exposure ener) vs T (development time to clear) curves with simulated ones which is based on RATEOA) data. Their dependence on the baking time has been investigated with fixed FEB temperature and it has been proved that a progress of the diffusion saturates only in less than a few seconds when the diffusion length is about lO'-l5ncn, which is much shorter than the standing wave length(= 66nm, for G-line). Profiles of low contrast resist patterns can be improved by the decrease in development rate of slightly exposed areas by PEB. The effects on these resists depend on the baking time because the volume of the decrease grows with increasing FEB time. On the other hands, for high contrast resists PEB' s diffusion enhances their resolution while the decreases in development rate have little effect on them. Time dependence cannot be observed for these resists because the diffusion length remains constant with increasing FEB time.

  13. Asteroid fragmentation approaches for modeling atmospheric energy deposition

    NASA Astrophysics Data System (ADS)

    Register, Paul J.; Mathias, Donovan L.; Wheeler, Lorien F.

    2017-03-01

    During asteroid entry, energy is deposited in the atmosphere through thermal ablation and momentum-loss due to aerodynamic drag. Analytic models of asteroid entry and breakup physics are used to compute the energy deposition, which can then be compared against measured light curves and used to estimate ground damage due to airburst events. This work assesses and compares energy deposition results from four existing approaches to asteroid breakup modeling, and presents a new model that combines key elements of those approaches. The existing approaches considered include a liquid drop or "pancake" model where the object is treated as a single deforming body, and a set of discrete fragment models where the object breaks progressively into individual fragments. The new model incorporates both independent fragments and aggregate debris clouds to represent a broader range of fragmentation behaviors and reproduce more detailed light curve features. All five models are used to estimate the energy deposition rate versus altitude for the Chelyabinsk meteor impact, and results are compared with an observationally derived energy deposition curve. Comparisons show that four of the five approaches are able to match the overall observed energy deposition profile, but the features of the combined model are needed to better replicate both the primary and secondary peaks of the Chelyabinsk curve.

  14. Global Auroral Energy Deposition Derived from Polar UVI Images

    NASA Technical Reports Server (NTRS)

    Fillingim, M. O.; Brittnacher, M. J.; Elsen, R.; Parks, G. K.; Spann, J. F., Jr.; Germany, G. A.

    1997-01-01

    Quantitative measurement of the transfer of energy and momentum to the ionosphere from the solar wind is one of the main objectives of the ISTP program. Global measurement of auroral energy deposition derived from observations of the longer wavelength LBH band emissions made by the Ultraviolet Imager on the Polar spacecraft is one of the key elements in this satellite and ground-based instrument campaign. These "measurements" are inferred by combining information from consecutive images using different filters and have a time resolution on the average of three minutes and are made continuously over a 5 to 8 hour period during each 18 hour orbit of the Polar spacecraft. The energy deposition in the ionosphere from auroral electron precipitation augments are due to Joule heating associated with field aligned currents. Assuming conjugacy of energy deposition between the two hemispheres the total energy input to the ionosphere through electron precipitation can be determined at high time resolution. Previously, precipitating particle measurements along the tracks of low altitude satellites provided only local measurements and the global energy precipitation could be inferred through models but not directly measured. We use the UVI images for the entire month of January 1997 to estimate the global energy deposition at high time resolution. We also sort the energy deposition into sectors to find possible trends, for example, on the dayside and nightside, or the dawn and dusk sides.

  15. Calculation of energy deposition distributions for simple geometries

    NASA Technical Reports Server (NTRS)

    Watts, J. W., Jr.

    1973-01-01

    When high-energy charged particles pass through a thin detector, the ionization energy loss in that detector is subject to fluctuations or straggling which must be considered in interpreting the data. Under many conditions, which depend upon the charge and energy of the incident particle and the detector geometry, the ionization energy lost by the particle is significantly different from the energy deposited in the detector. This problem divides naturally into a calculation of the energy loss that results in excitation and low-energy secondary electrons which do not travel far from their production points, and a calculation of energy loss that results in high-energy secondary electrons which can escape from the detector. The first calculation is performed using a modification of the Vavilov energy loss distribution. A cutoff energy is introduced above which all electrons are ignored and energy transferred to low energy particles is assumed to be equivalent to the energy deposited by them. For the second calculation, the trajectory of the primary particle is considered as a source of secondary high-energy electrons. The electrons from this source are transported using Monte Carlo techniques and multiple scattering theory, and the energy deposited by them in the detector is calculated. The results of the two calculations are then combined to predict the energy deposition distribution. The results of these calculations are used to predict the charge resolution of parallel-plate pulse ionization chambers that are being designed to measure the charge spectrum of heavy nuclei in the galactic cosmic-ray flux.

  16. A nuclear fragmentation energy deposition model

    NASA Technical Reports Server (NTRS)

    Ngo, D. M.; Wilson, J. W.; Fogarty, T. N.; Buck, W. W.; Townsend, L. W. (Principal Investigator)

    1991-01-01

    A formalism for target fragment transport is presented with application to energy loss spectra in thin silicon devices. A nuclear data base is recommended that agrees well with the measurements of McNulty et al. using surface barrier detectors. High-energy events observed by McNulty et al., which are not predicted by intranuclear cascade models, are well represented by the present work.

  17. Molecular properties of excited electronic state: formalism, implementation, and applications of analytical second energy derivatives within the framework of the time-dependent density functional theory/molecular mechanics.

    PubMed

    Zeng, Qiao; Liu, Jie; Liang, WanZhen

    2014-05-14

    This work extends our previous works [J. Liu and W. Z. Liang, J. Chem. Phys. 135, 014113 (2011); J. Liu and W. Z. Liang, J. Chem. Phys. 135, 184111 (2011)] on analytical excited-state energy Hessian within the framework of time-dependent density functional theory (TDDFT) to couple with molecular mechanics (MM). The formalism, implementation, and applications of analytical first and second energy derivatives of TDDFT/MM excited state with respect to the nuclear and electric perturbations are presented. Their performances are demonstrated by the calculations of adiabatic excitation energies, and excited-state geometries, harmonic vibrational frequencies, and infrared intensities for a number of benchmark systems. The consistent results with the full quantum mechanical method and other hybrid theoretical methods indicate the reliability of the current numerical implementation of developed algorithms. The computational accuracy and efficiency of the current analytical approach are also checked and the computational efficient strategies are suggested to speed up the calculations of complex systems with many MM degrees of freedom. Finally, we apply the current analytical approach in TDDFT/MM to a realistic system, a red fluorescent protein chromophore together with part of its nearby protein matrix. The calculated results indicate that the rearrangement of the hydrogen bond interactions between the chromophore and the protein matrix is responsible for the large Stokes shift.

  18. Molecular properties of excited electronic state: Formalism, implementation, and applications of analytical second energy derivatives within the framework of the time-dependent density functional theory/molecular mechanics

    SciTech Connect

    Zeng, Qiao; Liang, WanZhen; Liu, Jie

    2014-05-14

    This work extends our previous works [J. Liu and W. Z. Liang, J. Chem. Phys. 135, 014113 (2011); J. Liu and W. Z. Liang, J. Chem. Phys. 135, 184111 (2011)] on analytical excited-state energy Hessian within the framework of time-dependent density functional theory (TDDFT) to couple with molecular mechanics (MM). The formalism, implementation, and applications of analytical first and second energy derivatives of TDDFT/MM excited state with respect to the nuclear and electric perturbations are presented. Their performances are demonstrated by the calculations of adiabatic excitation energies, and excited-state geometries, harmonic vibrational frequencies, and infrared intensities for a number of benchmark systems. The consistent results with the full quantum mechanical method and other hybrid theoretical methods indicate the reliability of the current numerical implementation of developed algorithms. The computational accuracy and efficiency of the current analytical approach are also checked and the computational efficient strategies are suggested to speed up the calculations of complex systems with many MM degrees of freedom. Finally, we apply the current analytical approach in TDDFT/MM to a realistic system, a red fluorescent protein chromophore together with part of its nearby protein matrix. The calculated results indicate that the rearrangement of the hydrogen bond interactions between the chromophore and the protein matrix is responsible for the large Stokes shift.

  19. Effect of layer thickness setting on deposition characteristics in direct energy deposition (DED) process

    NASA Astrophysics Data System (ADS)

    Shim, Do-Sik; Baek, Gyeong-Yun; Seo, Jin-Seon; Shin, Gwang-Yong; Kim, Kee-Poong; Lee, Ki-Yong

    2016-12-01

    Direct energy deposition is an additive manufacturing technique that involves the melting of metal powder with a high-powered laser beam and is used to build a variety of components. In laser-assisted metal deposition, the mechanical and metallurgical properties achieved are influenced by many factors. This paper addresses methods for selecting an appropriate layer thickness setting, which is an important parameter in layer-by-layer deposition manufacturing. A new procedure is proposed for determining the layer thickness setting for use in slicing of a part based on the single-layer height for a given depositing condition. This procedure was compared with a conventional method that uses an empirically determined layer thickness and with a feedback control method. The micro-hardness distribution, location of the melting pool, and microstructures of the deposited layers after deposition of a simple target shape were investigated for each procedure. The experimental results show that even though the feedback control method is the most effective method for obtaining the desired geometry, the deposited region was characterized by inhomogeneity of micro-hardness due to the time-variable depositing conditions involved. The largest dimensional error was associated with the conventional deposition procedure, which produced a rise in the melting zone due to over-deposition with respect to the slicing thickness, especially at the high laser power level considered. In contrast, the proposed procedure produced a stable melting zone position during deposition, which resulted in the deposited part having reasonable dimensional accuracy and uniform micro-hardness throughout the deposited region.

  20. Global Auroral Energy Deposition Compared with Magnetic Indices

    NASA Technical Reports Server (NTRS)

    Brittnacher, M. J.; Fillingim, M. O.; Elsen, R.; Parks, G. K.; Germany, G. A.; Spann, J. F., Jr.

    1997-01-01

    Measurement of the global rate of energy deposition in the ionosphere via auroral particle precipitation is one of the primary goals of the Polar UVI program and is an important component of the ISTP program. The instantaneous rate of energy deposition for the entire month of January 1997 has been calculated by applying models to the UVI images and is presented by Fillingim et al. in this session. Magnetic indices, such as Kp, AE, and Dst, which are sensitive to variations in magnetospheric current systems have been constructed from ground magnetometer measurements and employed as measures of activity. The systematic study of global energy deposition raises the possibility of constructing a global magnetospheric activity index explicitly based on particle precipitation to supplement magnetic indices derived from ground magnetometer measurements. The relationship between global magnetic activity as measured by these indices and the rate of total global energy loss due to precipitation is not known at present. We study the correlation of the traditional magnetic index of Kp for the month of January 1997 with the energy deposition derived from the UVI images. We address the question of whether the energy deposition through particle precipitation generally matches the Kp and AE indices, or the more exciting, but distinct, possibility that this particle-derived index may provide an somewhat independent measure of global magnetospheric activity that could supplement traditional magnetically-based activity indices.

  1. Global Auroral Energy Deposition Compared with Magnetic Indices

    NASA Technical Reports Server (NTRS)

    Brittnacher, M. J.; Fillingim, M. O.; Elsen, R.; Parks, G. K.; Germany, G. A.; Spann, J. F., Jr.

    1997-01-01

    Measurement of the global rate of energy deposition in the ionosphere via auroral particle precipitation is one of the primary goals of the Polar UVI program and is an important component of the ISTP program. The instantaneous rate of energy deposition for the entire month of January 1997 has been calculated by applying models to the UVI images and is presented by Fillingim et al. in this session. Magnetic indices, such as Kp, AE, and Dst, which are sensitive to variations in magnetospheric current systems have been constructed from ground magnetometer measurements and employed as measures of activity. The systematic study of global energy deposition raises the possibility of constructing a global magnetospheric activity index explicitly based on particle precipitation to supplement magnetic indices derived from ground magnetometer measurements. The relationship between global magnetic activity as measured by these indices and the rate of total global energy loss due to precipitation is not known at present. We study the correlation of the traditional magnetic index of Kp for the month of January 1997 with the energy deposition derived from the UVI images. We address the question of whether the energy deposition through particle precipitation generally matches the Kp and AE indices, or the more exciting, but distinct, possibility that this particle-derived index may provide an somewhat independent measure of global magnetospheric activity that could supplement traditional magnetically-based activity indices.

  2. Energy deposition model for I-125 photon radiation in water

    NASA Astrophysics Data System (ADS)

    Fuss, M. C.; Muñoz, A.; Oller, J. C.; Blanco, F.; Limão-Vieira, P.; Williart, A.; Huerga, C.; Téllez, M.; García, G.

    2010-10-01

    In this study, an electron-tracking Monte Carlo algorithm developed by us is combined with established photon transport models in order to simulate all primary and secondary particle interactions in water for incident photon radiation. As input parameters for secondary electron interactions, electron scattering cross sections by water molecules and experimental energy loss spectra are used. With this simulation, the resulting energy deposition can be modelled at the molecular level, yielding detailed information about localization and type of single collision events. The experimental emission spectrum of I-125 seeds, as used for radiotherapy of different tumours, was used for studying the energy deposition in water when irradiating with this radionuclide.

  3. Note: the influence of exploding foil shape on energy deposition.

    PubMed

    Zeng, Qingxuan; Lv, Junjun; Li, Mingyu

    2013-06-01

    The main influence factors of exploding bridge foil were studied in order to improve energy utilization of the explosion foil initiator. "Square" and "curving" shaped bridge foils were fabricated using magnetron sputtering and chemical etching techniques, and the key dimension of the bridge foil was measured using surface profiler. Commercial software MATLAB was employed to calculate the burst current, burst voltage, and energy deposition. Simulation results were in good agreement with experiment data. In this study, the energy deposition ratio of "square" shaped bridge is between 45%-50%, while the value of "curving" shaped bridge is between 55%-75%.

  4. A time-dependent variational principle and the time-dependent Hartree approximation in hydrodynamical form

    NASA Astrophysics Data System (ADS)

    Lill, J. V.; Haftel, M. I.; Herling, G. H.

    1989-05-01

    A quantum mechanical time-dependent variational principle is generalized using the classical theory of fluids to obtain a variational principle suitable for the fluid dynamical description of mixed state quantum mechanics. A newly derived set of moment equations, in both standard and renormalized form, can be derived with the aid of this principle through minimization of the error in expressing the total derivative of the Wigner function. Coupled systems are studied in the time-dependent Hartree (TDH) approximation using a novel variational principle, and the renormalization procedure used earlier in the examination of single particle dynamics is extended to the TDH analysis. Use of a local Maxwellian ansatz for each particle results in a particularly simple ``two-fluid'' theory, the TDH/LM approximation, which does not violate the standard and renormalized energy conservation theorems derived earlier for the single particle equations. The fluid dynamical TDH/LM approximation is shown to possess a simple semiclassical interpretation.

  5. Spectrum of energy depositions in the Auger Water Cherenkov Detector

    NASA Astrophysics Data System (ADS)

    Salazar, Humberto

    1999-08-01

    The measured spectrum of energy depositions in a Water Cherenkov Detector (WCD) prototype for the Pierre Auger Observatory is presented. A WCD (area 10 m2 )is located in the Puebla University campus at a depth of 800 g/cm2 (2200 m above sea level). Differential and integral spectra in a wide energy deposition range (0.5 - 150 of vertical equivalent muons) are presented. The problem of the WCD "self calibration" procedure (by rate of the muon events) is discussed. The characteristic change of the slopes of the differential spectrum at the transition from single muon signals to EAS signals is also discussed. The measured energy deposition spectrum at extreme signals is used to estimate the linearity of the response of the WCD PMTs. Key words: Auger array, water Cherenkov detector, extensive air showers

  6. ENERGY DEPOSITION PROFILES AND ENTROPY IN GALAXY CLUSTERS

    SciTech Connect

    Chaudhuri, Anya; Majumdar, Subhabrata; Nath, Biman B. E-mail: subha@tifr.res.in

    2012-11-10

    We report the results of our study of fractional entropy enhancement in the intracluster medium (ICM) of the clusters from the representative XMM-Newton cluster structure survey. We compare the observed entropy profile of these clusters with that expected for the ICM without any feedback, as well as with the introduction of preheating and cooling. We make the first estimate of the total, as well as radial, non-gravitational energy deposition up to r {sub 500} for this large, nearly flux-limited, sample of clusters. We find that the total energy deposition corresponding to the entropy enhancement is proportional to the cluster temperature (and hence cluster mass). The energy deposition per particle scaled by T {sub sp}, {Delta}E/T {sub sp} has a similar profile in all clusters, and is more pronounced in the central regions. Our results support models of entropy enhancement through active galactic nucleus feedback.

  7. Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3+ to study reaction dynamics using coupled 3D time-dependent wave-packet approach

    NASA Astrophysics Data System (ADS)

    Ghosh, Sandip; Mukherjee, Saikat; Mukherjee, Bijit; Mandal, Souvik; Sharma, Rahul; Chaudhury, Pinaki; Adhikari, Satrajit

    2017-08-01

    The workability of beyond Born-Oppenheimer theory to construct diabatic potential energy surfaces (PESs) of a charge transfer atom-diatom collision process has been explored by performing scattering calculations to extract accurate integral cross sections (ICSs) and rate constants for comparison with most recent experimental quantities. We calculate non-adiabatic coupling terms among the lowest three singlet states of H3+ system (11A', 21A', and 31A') using MRCI level of calculation and solve the adiabatic-diabatic transformation equation to formulate the diabatic Hamiltonian matrix of the same process [S. Mukherjee et al., J. Chem. Phys. 141, 204306 (2014)] for the entire region of nuclear configuration space. The nonadiabatic effects in the D+ + H2 reaction has been studied by implementing the coupled 3D time-dependent wave packet formalism in hyperspherical coordinates [S. Adhikari and A. J. C. Varandas, Comput. Phys. Commun. 184, 270 (2013)] with zero and non-zero total angular momentum (J) on such newly constructed accurate (ab initio) diabatic PESs of H3+. We have depicted the convergence profiles of reaction probabilities for the reactive non-charge transfer, non-reactive charge transfer, and reactive charge transfer processes for different collisional energies with respect to the helicity (K) and total angular momentum (J) quantum numbers. Finally, total and state-to-state ICSs are calculated as a function of collision energy for the initial rovibrational state (v = 0, j = 0) of the H2 molecule, and consequently, those quantities are compared with previous theoretical and experimental results.

  8. Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3(+) to study reaction dynamics using coupled 3D time-dependent wave-packet approach.

    PubMed

    Ghosh, Sandip; Mukherjee, Saikat; Mukherjee, Bijit; Mandal, Souvik; Sharma, Rahul; Chaudhury, Pinaki; Adhikari, Satrajit

    2017-08-21

    The workability of beyond Born-Oppenheimer theory to construct diabatic potential energy surfaces (PESs) of a charge transfer atom-diatom collision process has been explored by performing scattering calculations to extract accurate integral cross sections (ICSs) and rate constants for comparison with most recent experimental quantities. We calculate non-adiabatic coupling terms among the lowest three singlet states of H3(+) system (1(1)A('), 2(1)A('), and 3(1)A(')) using MRCI level of calculation and solve the adiabatic-diabatic transformation equation to formulate the diabatic Hamiltonian matrix of the same process [S. Mukherjee et al., J. Chem. Phys. 141, 204306 (2014)] for the entire region of nuclear configuration space. The nonadiabatic effects in the D(+) + H2 reaction has been studied by implementing the coupled 3D time-dependent wave packet formalism in hyperspherical coordinates [S. Adhikari and A. J. C. Varandas, Comput. Phys. Commun. 184, 270 (2013)] with zero and non-zero total angular momentum (J) on such newly constructed accurate (ab initio) diabatic PESs of H3(+). We have depicted the convergence profiles of reaction probabilities for the reactive non-charge transfer, non-reactive charge transfer, and reactive charge transfer processes for different collisional energies with respect to the helicity (K) and total angular momentum (J) quantum numbers. Finally, total and state-to-state ICSs are calculated as a function of collision energy for the initial rovibrational state (v = 0, j = 0) of the H2 molecule, and consequently, those quantities are compared with previous theoretical and experimental results.

  9. Energy deposition in discharge chamber of lightning protection multichamber system

    NASA Astrophysics Data System (ADS)

    Pinchuk, M. E.; Budin, A. V.; Kumkova, I. I.; Bogomaz, A. A.; Sivaev, A. D.; Chusov, A. N.; Zaynalov, R. I.

    2016-11-01

    The experimental data of energy deposition distribution along discharge chamber of lightning protection multichamber system in initial stage of discharge process aimed to model lightning current impulse up to 10 kA is presented. A multichamber system is a series connection of discharge chambers. According to our experiments the shock wave formation occurs during the breakdown phase between electrodes located at the bottom of discharge chamber. The consequent energy deposition during discharge development goes in the whole volume bounded by shock wave front.

  10. Time dependent particle emission from fission products

    SciTech Connect

    Holloway, Shannon T; Kawano, Toshihiko; Moller, Peter

    2010-01-01

    Decay heating following nuclear fission is an important factor in the design of nuclear facilities; impacting a variety of aspects ranging from cooling requirements to shielding design. Calculations of decay heat, often assumed to be a simple product of activity and average decay product energy, are complicated by the so called 'pandemonium effect'. Elucidated in the 1970's this complication arises from beta-decays feeding high-energy nuclear levels; redistributing the available energy between betas and gammas. Increased interest in improving the theoretical predictions of decay probabilities has been, in part, motivated by the recent experimental effort utilizing the Total Absorption Gamma-ray Spectrometer (TAGS) to determine individual beta-decay transition probabilities to individual nuclear levels. Accurate predictions of decay heating require a detailed understanding of these transition probabilities, accurate representation of particle decays as well as reliable predictions of temporal inventories from fissioning systems. We will discuss a recent LANL effort to provide a time dependent study of particle emission from fission products through a combination of Quasiparticle Random Phase Approximation (QRPA) predictions of beta-decay probabilities, statistical Hauser-Feshbach techniques to obtain particle and gamma-ray emissions in statistical Hauser-Feshbach and the nuclear inventory code, CINDER.

  11. Temporal and spatial characteristics of auroral energy deposition

    NASA Astrophysics Data System (ADS)

    Hampton, D. L.; Conde, M.

    2015-12-01

    Auroral electron precipitation forms a complex and dynamic energy input into the high-latitude ionosphere and thermopshere. Rapid changes in plasma density due to electron impact ionization create correspondingly rapid changes in conductivity which in turn change the magnitude and altitude profile of magnetospheric current closure in the E- and F-region. Modeling these changes in the ionosphere and their effects on the local or regional upper atmosphere requires detailed input over wide regions. In support of the AMISR PINOT campaign and several rocket campaigns (CASCADES-2, MICA, ASSP) we have developed and tested a method to determine the characteristics of auroral energy input using purely ground-based optical measurements in geometries away from magnetic zenith. Using the N2+ first negative emissions at 427.8 nm reproduces the total energy flux over a wide region, but alone does not indicate the altitude profile of this energy deposition. Using temperature maps of the E-region collected by a Scanning Doppler Imager (SDI) observing the auroral green-line emission is a proxy for the characteristic energy of the precipitating electrons. While in some cases the energy determination underestimates the average energy it still is a good proxy for understanding when the electron distribution changes. We examine two seasons worth of auroral observations and determine the spatial and temporal variability of auroral energy deposition in comparison to solar wind and geophysical activity parameters. We also compare the results with well-known empirical models of electron energy deposition and show that they underestimate the peak local energy deposition rates by as much as a factor of 30.

  12. Mechanical characteristics of a tool steel layer deposited by using direct energy deposition

    NASA Astrophysics Data System (ADS)

    Baek, Gyeong Yun; Shin, Gwang Yong; Lee, Eun Mi; Shim, Do Sik; Lee, Ki Yong; Yoon, Hi-Seak; Kim, Myoung Ho

    2017-07-01

    This study focuses on the mechanical characteristics of layered tool steel deposited using direct energy deposition (DED) technology. In the DED technique, a laser beam bonds injected metal powder and a thin layer of substrate via melting. In this study, AISI D2 substrate was hardfaced with AISI H13 and M2 metal powders for mechanical testing. The mechanical and metallurgical characteristics of each specimen were investigated via microstructure observation and hardness, wear, and impact tests. The obtained characteristics were compared with those of heat-treated tool steel. The microstructures of the H13- and M2-deposited specimens show fine cellular-dendrite solidification structures due to melting and subsequent rapid cooling. Moreover, the cellular grains of the deposited M2 layer were smaller than those of the H13 structure. The hardness and wear resistance were most improved in the M2-deposited specimen, yet the H13-deposited specimen had higher fracture toughness than the M2-deposited specimen and heat-treated D2.

  13. Heating liquid dielectrics by time dependent fields

    NASA Astrophysics Data System (ADS)

    Khalife, A.; Pathak, U.; Richert, R.

    2011-10-01

    Steady state and time-resolved dielectric relaxation experiments are performed at high fields on viscous glycerol and the effects of energy absorption from the electric field are studied. Time resolution is obtained by a sinusoidal field whose amplitude is switched from a low to a high level and by recording voltage and current traces with an oscilloscope during this transition. Based on their distinct time and frequency dependences, three sources of modifying the dynamics and dielectric loss via an increase in the effective temperature can be distinguished: electrode temperature, real sample temperature, and configurational temperatures of the modes that absorbed the energy. Isothermal conditions that are desired for focusing on the configurational temperature changes (as in dielectric hole burning and related techniques) are maintained only for very thin samples and for moderate power levels. For high frequencies, say ν > 1 MHz, changes of the real temperature will exceed the effects of configurational temperatures in the case of macroscopic samples. Regarding microwave chemistry, heating via cell phone use, and related situations in which materials are subject to fields involving frequencies beyond the MHz regime, we conclude that changes in the configurational (or fictive) temperatures remain negligible compared with the increase of the real temperature. This simplifies the assessment of how time dependent electric fields modify the properties of materials.

  14. Gamma-ray transfer and energy deposition in supernovae

    NASA Technical Reports Server (NTRS)

    Swartz, Douglas A.; Sutherland, Peter G.; Harkness, Robert P.

    1995-01-01

    Solutions to the energy-independent (gray) radiative transfer equations are compared to results of Monte Carlo simulations of the Ni-56 and Co-56 decay gamma-ray energy deposition in supernovae. The comparison shows that an effective, purely absorptive, gray opacity, kappa(sub gamma) approximately (0. 06 +/- 0.01)Y(sub e) sq cm/g, where Y is the total number of electrons per baryon, accurately describes the interaction of gamma-rays with the cool supernova gas and the local gamma-ray energy deposition within the gas. The nature of the gamma-ray interaction process (dominated by Compton scattering in the relativistic regime) creates a weak dependence of kappa(sub gamma) on the optical thickness of the (spherically symmetric) supernova atmosphere: The maximum value of kappa(sub gamma) applies during optically thick conditions when individual gamma-rays undergo multiple scattering encounters and the lower bound is reached at the phase characterized by a total Thomson optical depth to the center of the atmosphere tau(sub e) approximately less than 1. Gamma-ray deposition for Type Ia supernova models to within 10% for the epoch from maximum light to t = 1200 days. Our results quantitatively confirm that the quick and efficient solution to the gray transfer problem provides an accurate representation of gamma-ray energy deposition for a broad range of supernova conditions.

  15. Enhanced thermopower under a time-dependent gate voltage

    NASA Astrophysics Data System (ADS)

    Crépieux, Adeline; Šimkovic, Fedor; Cambon, Benjamin; Michelini, Fabienne

    2011-04-01

    We derive formal expressions of time-dependent energy and heat currents through a nanoscopic device using the Keldysh nonequilibrium Green function technique. Numerical results are reported for a metal-dot-metal junction where the dot level energy is abruptly changed by a step-shaped voltage pulse. Analytical linear responses are obtained for the time-dependent thermoelectric coefficients. We show that in the transient regime the Seebeck coefficient can be enhanced by an amount (as much as 40%) controlled by both the dot energy and the height of the voltage step.

  16. A Time-Dependent Anharmonic Oscillator

    NASA Astrophysics Data System (ADS)

    Contreras-Astorga, A.

    2017-05-01

    Supersymmetric Quantum Mechanics is commonly used to generate time independent Hamiltonians with a desired spectrum. This technique can be generalized to construct time dependent potentials. In this work, the harmonic oscillator and a coherent state are taken to perform a generalized SUSY transformation in order to obtain a time dependent anharmonic oscillator.

  17. Bohr Hamiltonian with time-dependent potential

    NASA Astrophysics Data System (ADS)

    Naderi, L.; Hassanabadi, H.; Sobhani, H.

    2016-04-01

    In this paper, Bohr Hamiltonian has been studied with the time-dependent potential. Using the Lewis-Riesenfeld dynamical invariant method appropriate dynamical invariant for this Hamiltonian has been constructed and the exact time-dependent wave functions of such a system have been derived due to this dynamical invariant.

  18. Valence excitation energies of alkenes, carbonyl compounds, and azabenzenes by time-dependent density functional theory: linear response of the ground state compared to collinear and noncollinear spin-flip TDDFT with the Tamm-Dancoff approximation.

    PubMed

    Isegawa, Miho; Truhlar, Donald G

    2013-04-07

    Time-dependent density functional theory (TDDFT) holds great promise for studying photochemistry because of its affordable cost for large systems and for repeated calculations as required for direct dynamics. The chief obstacle is uncertain accuracy. There have been many validation studies, but there are also many formulations, and there have been few studies where several formulations were applied systematically to the same problems. Another issue, when TDDFT is applied with only a single exchange-correlation functional, is that errors in the functional may mask successes or failures of the formulation. Here, to try to sort out some of the issues, we apply eight formulations of adiabatic TDDFT to the first valence excitations of ten molecules with 18 density functionals of diverse types. The formulations examined are linear response from the ground state (LR-TDDFT), linear response from the ground state with the Tamm-Dancoff approximation (TDDFT-TDA), the original collinear spin-flip approximation with the Tamm-Dancoff (TD) approximation (SF1-TDDFT-TDA), the original noncollinear spin-flip approximation with the TDA approximation (SF1-NC-TDDFT-TDA), combined self-consistent-field (SCF) and collinear spin-flip calculations in the original spin-projected form (SF2-TDDFT-TDA) or non-spin-projected (NSF2-TDDFT-TDA), and combined SCF and noncollinear spin-flip calculations (SF2-NC-TDDFT-TDA and NSF2-NC-TDDFT-TDA). Comparing LR-TDDFT to TDDFT-TDA, we observed that the excitation energy is raised by the TDA; this brings the excitation energies underestimated by full linear response closer to experiment, but sometimes it makes the results worse. For ethylene and butadiene, the excitation energies are underestimated by LR-TDDFT, and the error becomes smaller making the TDA. Neither SF1-TDDFT-TDA nor SF2-TDDFT-TDA provides a lower mean unsigned error than LR-TDDFT or TDDFT-TDA. The comparison between collinear and noncollinear kernels shows that the noncollinear kernel

  19. Valence excitation energies of alkenes, carbonyl compounds, and azabenzenes by time-dependent density functional theory: Linear response of the ground state compared to collinear and noncollinear spin-flip TDDFT with the Tamm-Dancoff approximation

    NASA Astrophysics Data System (ADS)

    Isegawa, Miho; Truhlar, Donald G.

    2013-04-01

    Time-dependent density functional theory (TDDFT) holds great promise for studying photochemistry because of its affordable cost for large systems and for repeated calculations as required for direct dynamics. The chief obstacle is uncertain accuracy. There have been many validation studies, but there are also many formulations, and there have been few studies where several formulations were applied systematically to the same problems. Another issue, when TDDFT is applied with only a single exchange-correlation functional, is that errors in the functional may mask successes or failures of the formulation. Here, to try to sort out some of the issues, we apply eight formulations of adiabatic TDDFT to the first valence excitations of ten molecules with 18 density functionals of diverse types. The formulations examined are linear response from the ground state (LR-TDDFT), linear response from the ground state with the Tamm-Dancoff approximation (TDDFT-TDA), the original collinear spin-flip approximation with the Tamm-Dancoff (TD) approximation (SF1-TDDFT-TDA), the original noncollinear spin-flip approximation with the TDA approximation (SF1-NC-TDDFT-TDA), combined self-consistent-field (SCF) and collinear spin-flip calculations in the original spin-projected form (SF2-TDDFT-TDA) or non-spin-projected (NSF2-TDDFT-TDA), and combined SCF and noncollinear spin-flip calculations (SF2-NC-TDDFT-TDA and NSF2-NC-TDDFT-TDA). Comparing LR-TDDFT to TDDFT-TDA, we observed that the excitation energy is raised by the TDA; this brings the excitation energies underestimated by full linear response closer to experiment, but sometimes it makes the results worse. For ethylene and butadiene, the excitation energies are underestimated by LR-TDDFT, and the error becomes smaller making the TDA. Neither SF1-TDDFT-TDA nor SF2-TDDFT-TDA provides a lower mean unsigned error than LR-TDDFT or TDDFT-TDA. The comparison between collinear and noncollinear kernels shows that the noncollinear kernel

  20. Monte Carlo simulation of energy deposition by low-energy electrons in molecular hydrogen

    NASA Technical Reports Server (NTRS)

    Heaps, M. G.; Furman, D. R.; Green, A. E. S.

    1975-01-01

    A set of detailed atomic cross sections has been used to obtain the spatial deposition of energy by 1-20-eV electrons in molecular hydrogen by a Monte Carlo simulation of the actual trajectories. The energy deposition curve (energy per distance traversed) is quite peaked in the forward direction about the entry point for electrons with energies above the threshold of the electronic states, but the peak decreases and broadens noticeably as the electron energy decreases below 10 eV (threshold for the lowest excitable electronic state of H2). The curve also assumes a very symmetrical shape for energies below 10 eV, indicating the increasing importance of elastic collisions in determining the shape of the curve, although not the mode of energy deposition.

  1. Tunable Time-Dependent Colloidal Interactions

    NASA Astrophysics Data System (ADS)

    Bergman, Andrew M.; Rogers, W. Benjamin; Manoharan, Vinothan N.

    Self-assembly of colloidal particles can be driven by changes in temperature, density, or the concentration of solutes, and it is even possible to program the thermal response and equilibrium phase transitions of such systems. It is still difficult, however, to tune how the self-assembly process varies in time. We demonstrate control over the time-dependence of colloidal interactions, using DNA-functionalized colloidal particles with binding energies that are set by the concentration of a free linker strand in solution. We control the rate at which this free strand is consumed using a catalytic DNA reaction, whose rate is governed by the concentration of a catalyst strand. Varying the concentration of the linker, its competitor, and the catalyst at a fixed temperature, we can tune the rate and degree of the formation of colloidal aggregates and their following disassembly. Close to the colloidal melting point, the timescales of these out-of-equilibrium assembly and disassembly processes are determined by the rate of the catalytic reaction. Far below the colloidal melting point, however, the effects from varying our linker and competitor concentrations dominate.

  2. Stability on Time-Dependent Domains

    NASA Astrophysics Data System (ADS)

    Knobloch, E.; Krechetnikov, R.

    2014-06-01

    We explore the key differences in the stability picture between extended systems on time-fixed and time-dependent spatial domains. As a paradigm, we take the complex Swift-Hohenberg equation, which is the simplest nonlinear model with a finite critical wavenumber, and use it to study dynamic pattern formation and evolution on time-dependent spatial domains in translationally invariant systems, i.e., when dilution effects are absent. In particular, we discuss the effects of a time-dependent domain on the stability of spatially homogeneous and spatially periodic base states, and explore its effects on the Eckhaus instability of periodic states. New equations describing the nonlinear evolution of the pattern wavenumber on time-dependent domains are derived, and the results compared with those on fixed domains. Pattern coarsening on time-dependent domains is contrasted with that on fixed domains with the help of the Cahn-Hilliard equation extended here to time-dependent domains. Parallel results for the evolution of the Benjamin-Feir instability on time-dependent domains are also given.

  3. Birefringence in time-dependent moving media

    NASA Astrophysics Data System (ADS)

    Lin, Shirong; Zhang, Ruoyang; Zhai, Yanwang; Wei, Jianye; Zhao, Qing

    2016-08-01

    Electromagnetic wave propagation in one- and two-dimensional time-dependent moving media is investigated in this paper. We identify another origin of linear birefringence caused by the component of the flow perpendicular to the wave vector. Previously, birefringence is induced by applying external electric and magnetic fields to non-crystalline material. Here it is shown that the time-varying velocity field also contributes to such a phenomenon. Our results indicate that the parallel component, time-dependent or not, will not yield birefringence. Furthermore, the time-dependent flow also results in a frequency shift. One-dimensional simulation is conducted to demonstrate these effects.

  4. Topic 5: Time-Dependent Behavior

    SciTech Connect

    Pfeiffer, P.A.; Tanabe, Tada-aki

    1991-12-31

    This chapter is a report of the material presented at the International Workshop on Finite Element Analysis of Reinforced Concrete, Session 4 -- Time Dependent Behavior, held at Columbia University, New York on June 3--6, 1991. Dr. P.A. Pfeiffer presented recent developments in time-dependent behavior of concrete and Professor T. Tanabe presented a review of research in Japan on time-dependent behavior of concrete. The chapter discusses the recent research of time-dependent behavior of concrete in the past few years in both the USA-European and Japanese communities. The author appreciates the valuable information provided by Zdenek P. Bazant in preparing the USA-European Research section.

  5. ALCHEMIC: Advanced time-dependent chemical kinetics

    NASA Astrophysics Data System (ADS)

    Semenov, Dmitry A.

    2017-08-01

    ALCHEMIC solves chemical kinetics problems, including gas-grain interactions, surface reactions, deuterium fractionization, and transport phenomena and can model the time-dependent chemical evolution of molecular clouds, hot cores, corinos, and protoplanetary disks.

  6. Beam-induced energy deposition in muon storage rings

    SciTech Connect

    Nikolai V. Mokhov; Carol J. Johnstone; Brett Parker

    2001-06-22

    Beam-induced radiation effects have been simulated for 20 and 50 GeV muon storage rings designed for a Neutrino Factory. It is shown that by appropriately shielding the superconducting magnets, quench stability, acceptable dynamic heat loads, and low residual dose rates can be achieved. Alternatively, if a specially-designed skew focusing magnet without superconducting coils on the magnet's mid-plane is used, then the energy is deposited preferentially in the warm iron yoke or outer cryostat layers and internal shielding may not be required. In addition to the component irradiation analysis, shielding studies have been performed. Calculations of the external radiation were done for both designs but the internal energy deposition calculations for the 20 GeV Study-2 lattice are still in progress.

  7. BEAM INDUCED ENERGY DEPOSITION IN MUON STORAGE RINGS.

    SciTech Connect

    MOKHOV,N.V.; JOHNSTONE,C.J.; PARKER,B.L.

    2001-06-18

    Beam-induced radiation effects have been simulated for 20 and 50 GeV muon storage rings designed for a Neutrino Factory. It is shown that by appropriately shielding the superconducting magnets, quench stability, acceptable dynamic heat loads, and low residual dose rates can be achieved. Alternatively, if a specially-designed skew focusing magnet without superconducting coils on the magnet's mid-plane is used, then the energy is deposited preferentially in the warm iron yoke or outer cryostat layers and internal shielding may not be required. In addition to the component irradiation analysis, shielding studies have been performed. Calculations of the external radiation were done for both designs but the internal energy deposition calculations for the 20 GeV Study-2 lattice are still in progress.

  8. Improvements to the FLASH Laser Energy Deposition Package

    NASA Astrophysics Data System (ADS)

    Flocke, Norbert; Bachan, J.; Couch, S.; Daley, C.; Dubey, A.; Fatenejad, M.; Graziani, C.; Lamb, Don; Lee, Dongwook; Scopatz, A.; Tzeferacos, P.; Weide, K.

    2012-10-01

    FLASH is an open source, compressible, spatially-adaptive, radiation magnetohydrodynamics code that is currently used at a number of institutions for simulating laser-driven HEDP experiments. FLASH uses ray-tracing to model laser energy deposition via the inverse-Bremsstrahlung process on an Eulerian block-structured mesh. We describe recent improvements to the laser ray-tracing package in FLASH which have led to increased accuracy and performance. A ``3D-in-2D'' ray-trace model has been developed which transports rays in three-dimensions when FLASH is configured to run in 2D cylindrical geometry. Several options have been added which allow users greater flexibility in choosing the initial ray placement. These options can be used to reduce the number of rays needed to accurately represent the energy deposition. Several models have been added to FLASH for smoothing the deposited laser energy to reduce numerical noise. The laser package has also been modified to use threading and mesh-replication for parallelization to improve computational performance. Finally, we will present the results of FLASH simulations that use these improvements and compare results using different laser options.

  9. Latest Developments to the FLASH Laser Energy Deposition Package

    NASA Astrophysics Data System (ADS)

    Flocke, Norbert; Daley, Chris; Fatenejad, Milad; Tzeferacos, Petros; Lamb, Don Q.

    2013-10-01

    We describe recent improvements to the FLASH laser energy deposition package. FLASH is an open source, compressible, spatially-adaptive, radiation hydro/MHD code based on an Eulerian AMR grid. Laser energy deposition is modeled using geometric optics ray-tracing algorithms and the inverse-Bremsstrahlung process. A large variety of options exist for users, which allows for a flexible setup of the laser. Several domain geometries are possible (1D, 2D cartesian and cylindrical, 3D in 2D ray-tracing, 3D cartesian) and several beam cross-sections are available (ray placements on square, radial or statistical grids). The original treatment is based on the Kaiser algorithm, which represents the electron number density as a cell-by-cell, piece-wise linear continuous function. We have added a second option that uses cubic interpolation of the electron number density, resulting in a smoother distribution of the energy deposition. We have also improved the computational performance of the package through threading and asynchronous communication when rays cross a block boundary. We present the results of performance and verification tests of the improved package. This work was supported by DOE NNSA ASC.

  10. Energy deposition rates by charged particles. [in upper atmosphere

    NASA Technical Reports Server (NTRS)

    Torkar, K. M.; Urban, A.; Bjordal, J.; Lundblad, J. A.; Soraas, F.; Smith, L. G.; Dumbs, A.; Grandal, B.; Ulwick, J. C.; Vancour, R. P.

    1985-01-01

    A summary of measurements of the precipitation of electrons and positive ions (in the keV-MeV range) detected aboard eight rockets launched within the Energy Budget Campaign from Northern Scandinavia is given, together with corresponding satellite data. In some cases strong temporal variations of the downgoing integral fluxes were observed. The fluxes provide the background for the calculated ion production rates and altitude profiles of the energy deposition into the atmosphere at different levels of geomagnetic disturbance and cosmic noise absorption. The derived ion production rates by eneretic particles are compared to other night-time ionisation sources.

  11. Energy deposition rates by charged particles. [in upper atmosphere

    NASA Technical Reports Server (NTRS)

    Torkar, K. M.; Urban, A.; Bjordal, J.; Lundblad, J. A.; Soraas, F.; Smith, L. G.; Dumbs, A.; Grandal, B.; Ulwick, J. C.; Vancour, R. P.

    1985-01-01

    A summary of measurements of the precipitation of electrons and positive ions (in the keV-MeV range) detected aboard eight rockets launched within the Energy Budget Campaign from Northern Scandinavia is given, together with corresponding satellite data. In some cases strong temporal variations of the downgoing integral fluxes were observed. The fluxes provide the background for the calculated ion production rates and altitude profiles of the energy deposition into the atmosphere at different levels of geomagnetic disturbance and cosmic noise absorption. The derived ion production rates by eneretic particles are compared to other night-time ionisation sources.

  12. Three-dimensional modeling of ionized gas. II. Spectral energy distributions of massive and very massive stars in stationary and time-dependent modeling of the ionization of metals in H II regions

    NASA Astrophysics Data System (ADS)

    Weber, J. A.; Pauldrach, A. W. A.; Hoffmann, T. L.

    2015-11-01

    Context. H II regions play a crucial role in the measurement of the chemical composition of the interstellar medium and provide fundamental data about element abundances that constrain models of galactic chemical evolution. Discrepancies that still exist between observed emission line strengths and those predicted by nebular models can be partly attributed to the spectral energy distributions (SEDs) of the sources of ionizing radiation used in the models as well as to simplifying assumptions made in nebular modeling. Aims: One of the main influences on the nebular spectra is the metallicity, both nebular and stellar, which shows large variations even among nearby galaxies. Although nebular modeling often involves testing of different nebular metallicities against their influence on the predicted spectra, adequate grids of stellar atmospheres and realistic SEDs for different metallicities are still lacking. This is unfortunate because the influence of stellar metallicity on nebular line strength ratios, via its effect on the SEDs, is of similar importance as variations in the nebular metallicity. To overcome this deficiency we have computed a grid of model atmosphere SEDs for massive and very massive O-type stars covering a range of metallicities from significantly subsolar (0.1 Z⊙) to supersolar (2 Z⊙). Methods: The SEDs have been computed using a state-of-the-art model atmosphere code that takes into account the attenuation of the ionizing flux by the spectral lines of all important elements and the hydrodynamics of the radiatively driven winds and their influence on the SEDs. For the assessment of the SEDs in nebular simulations we have developed a (heretofore not available) 3D radiative transfer code that includes a time-dependent treatment of the metal ionization. Results: Using the SEDs in both 1D and 3D nebular models we explore the relative influence of stellar metallicity, gas metallicity, and inhomogeneity of the gas on the nebular ionization structure

  13. Mathematical modelling of energy expenditure during tissue deposition.

    PubMed

    Hall, Kevin D

    2010-07-01

    Predicting the magnitude and rate of weight gain for a given increase of energy intake requires a model of whole-body energy expenditure that includes the energy cost of tissue deposition. Here, I introduce a mathematical framework for modelling energy expenditure that elucidates conceptual problems with the classical Kielanowski method for estimating the efficiencies of body fat and protein deposition. An alternative approach uses the theoretical biochemical efficiencies for protein and fat synthesis in combination with models of energy expenditure that include body fat and protein turnover costs. I illustrate this alternative approach using a simple mathematical model applied to previously published data from growing rats and human infants and compare the simple model results with the classical Kielanowski model. While both models fit the data reasonably well (R2>0.87 in rats and R2>0.67 in infants), the Kielanowski method resulted in parameter estimates that varied widely across experiments, had poor precision, and occasionally produced efficiency estimates greater than 1. In contrast, the new method provided precise parameter values and revealed consistencies across different experiments. The proposed mathematical framework has implications for interpreting studies of animal nutrition as well as providing a roadmap for future modelling efforts.

  14. Energy deposition in the ionosphere derived from LEO satellite observations

    NASA Astrophysics Data System (ADS)

    Stolle, Claudia; Park, Jaeheung; Buchert, Stephan; Trulik, Vladimir; Bilitza, Dieter

    2014-05-01

    Ten years of successful operation of the multi-instrument CHAMP satellite mission at a unique orbit altitude of about 400 km revealed many interesting features of the coupling between the thermosphere and ionosphere. Different processes contribute to the deposition of solar and magnetospheric energy into the thermosphere. One important venue is heating through thermal electrons transferring energy by collisions with ions and neutrals. In the ionospheric F region thermal electrons are heated primarily through photoelectrons by local or non-local processes. At high latitudes soft precipitation and electromagnetic heating play a major role. The energy deposition can be quantified by a family of chemo-physical equations (Schunk and Nagy, 2009) that depend on plasma and neutral densities and temperatures. One important indicator for the energy transfer is the difference between electron and ion- and neutral- temperatures. Electron cooling leads to thermospheric heating and and we expect that this process leads to a local enhancement of mass density (air drag). Sizable electron cooling rates in the F region have been published from EISCAT radar observations in the ionospheric cusp. Based on CHAMP observation of electron density and temperature we estimate the energy deposit in the F-region through cooling of the thermal electron gas caused by elastic and inelastic processes. We find that a significant deposition is present during day at mid latitudes. At low latitudes the energy flux remains important until midnight. Observed heating rates depend on the satellite altitudes, but they are globally available from the CHAMP data. Missing observations in the CHAMP dataset, e.g., ion temperature, are derived from empirical models as IRI or MSIS. We investigate the global distribution of the electron cooling rate, we quantify the contributions of the different processes (equations) to the total energy transfer, e.g., depending on height, and we intend to compare our results

  15. Cumulative beam breakup with time-dependent parameters

    SciTech Connect

    Jean Delayen

    2004-08-01

    A general analytical formalism developed recently for cumulative beam breakup (BBU) in linear accelerators with arbitrary beam current profile and misalignments [1, 2] is extended to include time-dependent parameters such as energy chirp or rf focusing in order to reduce BBU-induced instabilities and emittance growth. Analytical results are presented and applied to practical accelerator configurations.

  16. Time-dependent rates of molecular evolution.

    PubMed

    Ho, Simon Y W; Lanfear, Robert; Bromham, Lindell; Phillips, Matthew J; Soubrier, Julien; Rodrigo, Allen G; Cooper, Alan

    2011-08-01

    For over half a century, it has been known that the rate of morphological evolution appears to vary with the time frame of measurement. Rates of microevolutionary change, measured between successive generations, were found to be far higher than rates of macroevolutionary change inferred from the fossil record. More recently, it has been suggested that rates of molecular evolution are also time dependent, with the estimated rate depending on the timescale of measurement. This followed surprising observations that estimates of mutation rates, obtained in studies of pedigrees and laboratory mutation-accumulation lines, exceeded long-term substitution rates by an order of magnitude or more. Although a range of studies have provided evidence for such a pattern, the hypothesis remains relatively contentious. Furthermore, there is ongoing discussion about the factors that can cause molecular rate estimates to be dependent on time. Here we present an overview of our current understanding of time-dependent rates. We provide a summary of the evidence for time-dependent rates in animals, bacteria and viruses. We review the various biological and methodological factors that can cause rates to be time dependent, including the effects of natural selection, calibration errors, model misspecification and other artefacts. We also describe the challenges in calibrating estimates of molecular rates, particularly on the intermediate timescales that are critical for an accurate characterization of time-dependent rates. This has important consequences for the use of molecular-clock methods to estimate timescales of recent evolutionary events. © 2011 Blackwell Publishing Ltd.

  17. Vacuum radiation induced by time dependent electric field

    NASA Astrophysics Data System (ADS)

    Zhang, Bo; Zhang, Zhi-meng; Hong, Wei; He, Shu-Kai; Teng, Jian; Gu, Yu-qiu

    2017-04-01

    Many predictions of new phenomena given by strong field quantum electrodynamics (SFQED) will be tested on next generation multi-petawatt laser facilities in the near future. These new phenomena are basis to understand physics in extremely strong electromagnetic fields therefore have attracted wide research interest. Here we discuss a new SFQED phenomenon that is named as vacuum radiation. In vacuum radiation, a virtual electron loop obtain energy from time dependent external electric field and radiate an entangled photon pair. Features of vacuum radiation in a locally time dependent electric field including spectrum, characteristic temperature, production rate and power are given.

  18. Time-dependent perturbation theory for inelastic scattering

    NASA Astrophysics Data System (ADS)

    Cross, R. J.

    1982-08-01

    We show by numerical integration that the first-order, time-dependent, Magnus approximation agrees with the first-order, exponential, distorted-wave approximation to within a few percent, provided that the trajectory used for the time-dependent calculation is characterized by the arithmetic mean of the initial and final velocities and the arithmetic mean of the initial and final orbital angular momenta. Calculations are done for rotational energy transfer from an exponentially repulsive potential characteristic of He+H2 and for a Lennard-Jones potential characteristic of Ar+N2.

  19. Pulsar braking: Time dependent moment of inertia?

    NASA Astrophysics Data System (ADS)

    Urbanec, Martin

    2017-08-01

    Pulsars rotate with extremely stable rotational frequency enabling one to measure its first and second time derivatives. These observed values can be combined to the so-called braking index. However observed values of braking index differ from the theoretical value of 3 corresponding to braking by magnetic dipole radiation being the dominant theoretical model. Such a difference can be explained by contribution of other mechanism like pulsar wind or quadrupole radiation, or by time dependency of magnetic field or moment of inertia. In this presentation we focus on influence of time dependent moment of inertia on the braking index. We will also discuss possible physical models for time-dependence of moment of inertia.

  20. Exact solution of a quantum forced time-dependent harmonic oscillator

    NASA Technical Reports Server (NTRS)

    Yeon, Kyu Hwang; George, Thomas F.; Um, Chung IN

    1992-01-01

    The Schrodinger equation is used to exactly evaluate the propagator, wave function, energy expectation values, uncertainty values, and coherent state for a harmonic oscillator with a time dependent frequency and an external driving time dependent force. These quantities represent the solution of the classical equation of motion for the time dependent harmonic oscillator.

  1. Charge state dependent energy deposition by ion impact.

    PubMed

    Lake, R E; Pomeroy, J M; Grube, H; Sosolik, C E

    2011-08-05

    We report on a measurement of craters in thin dielectric films formed by Xe(Q+) (26 ≤ Q ≤ 44) projectiles. Tunnel junction devices with ion-irradiated barriers were used to amplify the effect of charge-dependent cratering through the exponential dependence of tunneling conductance on barrier thickness. Electrical conductance of a crater σ(c)(Q) increased by 4 orders of magnitude (7.9 × 10(-4) μS to 6.1 μS) as Q increased, corresponding to crater depths ranging from 2 to 11 Å. By employing a heated spike model, we determine that the energy required to produce the craters spans from 8 to 25 keV over the investigated charge states. Considering energy from preequilibrium nuclear and electronic stopping as well as neutralization, we find that at least (27 ± 2)% of available projectile neutralization energy is deposited into the thin film during impact.

  2. Time-Dependent Molecular Reaction Dynamics

    NASA Astrophysics Data System (ADS)

    Öhrn, Yngve

    2007-11-01

    This paper is a brief review of a time-dependent, direct, nonadiabatic theory of molecular processes called Electron Nuclear Dynamics (END). This approach to the study of molecular reaction dynamics is a hierarchical theory that can be applied at various levels of approximation. The simplest level of END uses classical nuclei and represents all electrons by a single, complex, determinantal wave function. The wave function parameters such as average nuclear positions and momenta, and molecular orbital coefcients carry the time dependence and serve as dynamical variables. Examples of application are given of the simplest level of END to ion-atom and ion-molecule reactions.

  3. Investigations of Low Temperature Time Dependent Cracking

    SciTech Connect

    Van der Sluys, W A; Robitz, E S; Young, B A; Bloom, J

    2002-09-30

    The objective of this project was to investigate metallurgical and mechanical phenomena associated with time dependent cracking of cold bent carbon steel piping at temperatures between 327 C and 360 C. Boiler piping failures have demonstrated that understanding the fundamental metallurgical and mechanical parameters controlling these failures is insufficient to eliminate it from the field. The results of the project consisted of the development of a testing methodology to reproduce low temperature time dependent cracking in laboratory specimens. This methodology was used to evaluate the cracking resistance of candidate heats in order to identify the factors that enhance cracking sensitivity. The resultant data was integrated into current available life prediction tools.

  4. Time-dependent Flare Models with MALI

    NASA Astrophysics Data System (ADS)

    Kašparová, J.; Heinzel, P.; Varady, M.; Karlický, M.

    2003-01-01

    Temporal variations of Hα line profile intensities related to electron beams are presented. We show first results of time dependent simulations of a chromospheric response to a 1 sec monoenergetic electron beam. 1-D hydrodynamic code together with particle representation of the beam have been used to calculate atmospheric evolution. Time dependent radiative transfer problem has been solved for the resulting atmosphere in the MALI approach, using the Crank-Nicholson implicit scheme. Non-thermal collisional rates were included in linearised equations of statistical equilibrium.

  5. Watching excitons move: the time-dependent transition density matrix

    NASA Astrophysics Data System (ADS)

    Ullrich, Carsten

    2012-02-01

    Time-dependent density-functional theory allows one to calculate excitation energies and the associated transition densities in principle exactly. The transition density matrix (TDM) provides additional information on electron-hole localization and coherence of specific excitations of the many-body system. We have extended the TDM concept into the real-time domain in order to visualize the excited-state dynamics in conjugated molecules. The time-dependent TDM is defined as an implicit density functional, and can be approximately obtained from the time-dependent Kohn-Sham orbitals. The quality of this approximation is assessed in simple model systems. A computational scheme for real molecular systems is presented: the time-dependent Kohn-Sham equations are solved with the OCTOPUS code and the time-dependent Kohn-Sham TDM is calculated using a spatial partitioning scheme. The method is applied to show in real time how locally created electron-hole pairs spread out over neighboring conjugated molecular chains. The coupling mechanism, electron-hole coherence, and the possibility of charge separation are discussed.

  6. Relativistic Photoionization Computations with the Time Dependent Dirac Equation

    DTIC Science & Technology

    2016-10-12

    The Dirac equation describes the motion of a spin one-half particle in an external electromagnetic field. The stationary states in both Coulomb...5, the peaks of the time dependent spectrum neatly line up with the dashed lines, which denote the discrete energies predicted by the time...near a null of a particular eigenfunction, the associated energy eigenvalue may not appear in the numerical spectrum . In Fig. 5, the diagnostic point

  7. Energy Deposition and Radiological Studies for the LBNF Hadron Absorber

    SciTech Connect

    Rakhno, I. L.; Mokhov, N. V.; Tropin, I. S.; Eidelman, Y. I.

    2015-06-25

    Results of detailed Monte Carlo energy deposition and radiological studies performed for the LBNF hadron absorber with the MARS15 code are described. The model of the entire facility, that includes a pion-production target, focusing horns, target chase, decay channel, hadron absorber system – all with corresponding radiation shielding – was developed using the recently implemented ROOT-based geometry option in the MARS15 code. Both normal operation and accidental conditions were studied. Results of detailed thermal calculations with the ANSYS code helped to select the most viable design options.

  8. Time-dependent freezing rate parcel model

    NASA Astrophysics Data System (ADS)

    Vali, G.; Snider, J. R.

    2015-02-01

    The time-dependent freezing rate (TDFR) model here described represents the formation of ice particles by immersion freezing within an air parcel. The air parcel trajectory follows an adiabatic ascent and includes a period in time when the parcel remains stationary at the top of its ascent. The description of the ice nucleating particles (INPs) in the air parcel is taken from laboratory experiments with cloud and precipitation samples and is assumed to represent the INP content of the cloud droplets in the parcel. Time dependence is included to account for variations in updraft velocity and for the continued formation of ice particles under isothermal conditions. The magnitudes of these factors are assessed on the basis of laboratory measurements. Results show that both factors give rise to three-fold variations in ice concentration for a realistic range of the input parameters. Refinements of the parameters specifying time dependence and INP concentrations are needed to make the results more specific to different atmospheric aerosol types. The simple model framework described in this paper can be adapted to more elaborate cloud models. The results here presented can help guide decisions on whether to include a time-dependent ice nucleation scheme or a simpler singular description in models.

  9. Time-dependent freezing rate parcel model

    NASA Astrophysics Data System (ADS)

    Vali, G.; Snider, J. R.

    2014-11-01

    The Time-Dependent Freezing Rate (TDFR) model here described represents the formation of ice particles by immersion freezing within an air parcel. The air parcel trajectory follows an adiabatic ascent and includes a period at time with the parcel remaining stationary at the top of its ascent. The description of the ice nucleating particles (INPs) in the air parcel is taken from laboratory experiments with cloud and precipitation samples and is assumed to represent the INP content of the cloud droplets in the parcel. Time-dependence is included to account for variations in updraft velocity and for the continued formation of ice particles at isothermal conditions. The magnitudes of these factors are assessed on the basis of laboratory measurements. Results show that both factors give rise to factors of about 3 variations in ice concentration for a realistic range of the input parameters. Refinements of the parameters specifying time-dependence and INP concentrations are needed to make the results more specific to different atmospheric aerosol types. The simple model framework described in this paper can be adapted to more elaborate cloud models. The results here presented can help guide decisions on whether to include a time-dependent ice nucleation scheme or a simpler singular description in models.

  10. Eigenfunction expansions for time dependent hamiltonians

    NASA Astrophysics Data System (ADS)

    Jauslin, H. R.; Guerin, S.; Deroussiaux, A.

    We describe a generalization of Floquet theory for non periodic time dependent Hamiltonians. It allows to express the time evolution in terms of an expansion in eigenfunctions of a generalized quasienergy operator. We discuss a conjecture on the extension of the adiabatic theorem to this type of systems, which gives a procedure for the physical preparation of Floquet states. *** DIRECT SUPPORT *** A3418380 00004

  11. Atomic Layer Deposition of Bismuth Vanadates for Solar Energy Materials.

    PubMed

    Stefik, Morgan

    2016-07-07

    The fabrication of porous nanocomposites is key to the advancement of energy conversion and storage devices that interface with electrolytes. Bismuth vanadate, BiVO4 , is a promising oxide for solar water splitting where the controlled fabrication of BiVO4 layers within porous, conducting scaffolds has remained a challenge. Here, the atomic layer deposition of bismuth vanadates is reported from BiPh3 , vanadium(V) oxytriisopropoxide, and water. The resulting films have tunable stoichiometry and may be crystallized to form the photoactive scheelite structure of BiVO4 . A selective etching process was used with vanadium-rich depositions to enable the synthesis of phase-pure BiVO4 after spinodal decomposition. BiVO4 thin films were measured for photoelectrochemical performance under AM 1.5 illumination. The average photocurrents were 1.17 mA cm(-2) at 1.23 V versus the reversible hydrogen electrode using a hole-scavenging sulfite electrolyte. The capability to deposit conformal bismuth vanadates will enable a new generation of nanocomposite architectures for solar water splitting.

  12. Natural excitation orbitals from linear response theories: Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory.

    PubMed

    van Meer, R; Gritsenko, O V; Baerends, E J

    2017-01-28

    Straightforward interpretation of excitations is possible if they can be described as simple single orbital-to-orbital (or double, etc.) transitions. In linear response time-dependent density functional theory (LR-TDDFT), the (ground state) Kohn-Sham orbitals prove to be such an orbital basis. In contrast, in a basis of natural orbitals (NOs) or Hartree-Fock orbitals, excitations often employ many orbitals and are accordingly hard to characterize. We demonstrate that it is possible in these cases to transform to natural excitation orbitals (NEOs) which resemble very closely the KS orbitals and afford the same simple description of excitations. The desired transformation has been obtained by diagonalization of a submatrix in the equations of linear response time-dependent 1-particle reduced density matrix functional theory (LR-TDDMFT) for the NO transformation, and that of a submatrix in the linear response time-dependent Hartree-Fock (LR-TDHF) equations for the transformation of HF orbitals. The corresponding submatrix is already diagonal in the KS basis in the LR-TDDFT equations. While the orbital shapes of the NEOs afford the characterization of the excitations as (mostly) simple orbital-to-orbital transitions, the orbital energies provide a fair estimate of excitation energies.

  13. Time-dependent shock acceleration of particles. Effect of the time-dependent injection, with application to supernova remnants

    NASA Astrophysics Data System (ADS)

    Petruk, O.; Kopytko, B.

    2016-11-01

    Three approaches are considered to solve the equation which describes the time-dependent diffusive shock acceleration of test particles at the non-relativistic shocks. At first, the solution of Drury for the particle distribution function at the shock is generalized to any relation between the acceleration time-scales upstream and downstream and for the time-dependent injection efficiency. Three alternative solutions for the spatial dependence of the distribution function are derived. Then, the two other approaches to solve the time-dependent equation are presented, one of which does not require the Laplace transform. At the end, our more general solution is discussed, with a particular attention to the time-dependent injection in supernova remnants. It is shown that, comparing to the case with the dominant upstream acceleration time-scale, the maximum momentum of accelerated particles shifts towards the smaller momenta with increase of the downstream acceleration time-scale. The time-dependent injection affects the shape of the particle spectrum. In particular, (i) the power-law index is not solely determined by the shock compression, in contrast to the stationary solution; (ii) the larger the injection efficiency during the first decades after the supernova explosion, the harder the particle spectrum around the high-energy cutoff at the later times. This is important, in particular, for interpretation of the radio and gamma-ray observations of supernova remnants, as demonstrated on a number of examples.

  14. Photodetachment microscopy in time-dependent fields

    NASA Astrophysics Data System (ADS)

    Ambalampitiya, H.; Fabrikant, I. I.

    2017-05-01

    Photodetachment of negative ions in combined laser and low-frequency fields is investigated. The time-dependent Green's function method is used for calculation of electron flux at a macroscopic distance from the photodetachment source, typical for a photodetachment microscopy experiment. In calculating the electron flux, we use the stationary phase method for the time integral, equivalent to the semiclassical approximation, to compute the time-dependent wave function. The stationary points t1(i ), i =1 ,...,n correspond to time instances of launching of classical trajectories arriving at the detector at a given spacetime point (r ,t ) . The number of trajectories n contributing to the electron flux at any point in the classically allowed spacetime domain can be controlled by varying the switching interval of the high-frequency laser which initiates the photodetachment process. The divergences inherent in the electron flux in the semiclassical treatment are removed by using the uniform Airy approximation near the caustics.

  15. Time-Dependent Erosion of Ion Optics

    NASA Technical Reports Server (NTRS)

    Wirz, Richard E.; Anderson, John R.; Katz, Ira; Goebel, Dan M.

    2008-01-01

    The accurate prediction of thruster life requires time-dependent erosion estimates for the ion optics assembly. Such information is critical to end-of-life mechanisms such as electron backstreaming. CEX2D was recently modified to handle time-dependent erosion, double ions, and multiple throttle conditions in a single run. The modified code is called "CEX2D-t". Comparisons of CEX2D-t results with LDT and ELT post-tests results show good agreement for both screen and accel grid erosion including important erosion features such as chamfering of the downstream end of the accel grid and reduced rate of accel grid aperture enlargement with time.

  16. On time-dependent radiative transfer

    NASA Technical Reports Server (NTRS)

    Streater, A.; Cooper, J.; Sandle, W.

    1987-01-01

    An integral equation is developed for application to time-dependent laboratory experiments in which partial redistribution effects are important. The equation of transport with the Heasly-Kneer (1976) emission coefficient and the equation of statistical equilibrium lead to a time-dependent redistribution function containing an absorption - reemission term which decays exponentially in time and a scattering term which is instantaneous. This integral equation does not agree with an equation written by Payne et al. (1974) that has been used to compare theory with experiments. The difference between the Payne equation and the equation developed here needs to be examined in detail, since it might under some circumstances be on the same order as the difference between partial and complete redistribution.

  17. On time-dependent radiative transfer

    NASA Astrophysics Data System (ADS)

    Streater, A.; Cooper, J.; Sandle, W.

    1987-02-01

    An integral equation is developed for application to time-dependent laboratory experiments in which partial redistribution effects are important. The equation of transport with the Heasly-Kneer (1976) emission coefficient and the equation of statistical equilibrium lead to a time-dependent redistribution function containing an absorption - reemission term which decays exponentially in time and a scattering term which is instantaneous. This integral equation does not agree with an equation written by Payne et al. (1974) that has been used to compare theory with experiments. The difference between the Payne equation and the equation developed here needs to be examined in detail, since it might under some circumstances be on the same order as the difference between partial and complete redistribution.

  18. Time-dependent species sensitivity distributions.

    PubMed

    Fox, David R; Billoir, Elise

    2013-02-01

    Time is a central component of toxicity assessments. However, current ecotoxicological practice marginalizes time in concentration-response (C-R) modeling and species sensitivity distribution (SSD) analyses. For C-R models, time is invariably fixed, and toxicity measures are estimated from a function fitted to the data at that time. The estimated toxicity measures are used as inputs to the SSD modeling phase, which similarly avoids explicit recognition of the temporal component. The present study extends some commonly employed probability models for SSDs to derive theoretical results that characterize the time-dependent nature of hazardous concentration (HCx) values. The authors' results show that even from very simple assumptions, more complex patterns in the SSD time dependency can be revealed.

  19. Time-dependent oral absorption models

    NASA Technical Reports Server (NTRS)

    Higaki, K.; Yamashita, S.; Amidon, G. L.

    2001-01-01

    The plasma concentration-time profiles following oral administration of drugs are often irregular and cannot be interpreted easily with conventional models based on first- or zero-order absorption kinetics and lag time. Six new models were developed using a time-dependent absorption rate coefficient, ka(t), wherein the time dependency was varied to account for the dynamic processes such as changes in fluid absorption or secretion, in absorption surface area, and in motility with time, in the gastrointestinal tract. In the present study, the plasma concentration profiles of propranolol obtained in human subjects following oral dosing were analyzed using the newly derived models based on mass balance and compared with the conventional models. Nonlinear regression analysis indicated that the conventional compartment model including lag time (CLAG model) could not predict the rapid initial increase in plasma concentration after dosing and the predicted Cmax values were much lower than that observed. On the other hand, all models with the time-dependent absorption rate coefficient, ka(t), were superior to the CLAG model in predicting plasma concentration profiles. Based on Akaike's Information Criterion (AIC), the fluid absorption model without lag time (FA model) exhibited the best overall fit to the data. The two-phase model including lag time, TPLAG model was also found to be a good model judging from the values of sum of squares. This model also described the irregular profiles of plasma concentration with time and frequently predicted Cmax values satisfactorily. A comparison of the absorption rate profiles also suggested that the TPLAG model is better at prediction of irregular absorption kinetics than the FA model. In conclusion, the incorporation of a time-dependent absorption rate coefficient ka(t) allows the prediction of nonlinear absorption characteristics in a more reliable manner.

  20. Time-dependent oral absorption models

    NASA Technical Reports Server (NTRS)

    Higaki, K.; Yamashita, S.; Amidon, G. L.

    2001-01-01

    The plasma concentration-time profiles following oral administration of drugs are often irregular and cannot be interpreted easily with conventional models based on first- or zero-order absorption kinetics and lag time. Six new models were developed using a time-dependent absorption rate coefficient, ka(t), wherein the time dependency was varied to account for the dynamic processes such as changes in fluid absorption or secretion, in absorption surface area, and in motility with time, in the gastrointestinal tract. In the present study, the plasma concentration profiles of propranolol obtained in human subjects following oral dosing were analyzed using the newly derived models based on mass balance and compared with the conventional models. Nonlinear regression analysis indicated that the conventional compartment model including lag time (CLAG model) could not predict the rapid initial increase in plasma concentration after dosing and the predicted Cmax values were much lower than that observed. On the other hand, all models with the time-dependent absorption rate coefficient, ka(t), were superior to the CLAG model in predicting plasma concentration profiles. Based on Akaike's Information Criterion (AIC), the fluid absorption model without lag time (FA model) exhibited the best overall fit to the data. The two-phase model including lag time, TPLAG model was also found to be a good model judging from the values of sum of squares. This model also described the irregular profiles of plasma concentration with time and frequently predicted Cmax values satisfactorily. A comparison of the absorption rate profiles also suggested that the TPLAG model is better at prediction of irregular absorption kinetics than the FA model. In conclusion, the incorporation of a time-dependent absorption rate coefficient ka(t) allows the prediction of nonlinear absorption characteristics in a more reliable manner.

  1. Time Dependent Behavior in the Weissenberg Effect

    NASA Astrophysics Data System (ADS)

    Degen, Michael M.; Andereck, C. David

    1997-03-01

    The Weissenberg effect is the climb of a non-Newtonian fluid up a rotating rod. We have found novel transitional effects in the behavior of a particular climbing fluid, STP(STP Oil Treatment distributed by First Brands Corporation.). The first state is a time-independent axisymmetric concave climb. As the rotation rate of the rod is increased, the first transition is to an axisymmetric climb with an ``onion dome'' shape. At higher rotation rates, the flow undergoes a symmetry breaking bifurcation to a time-dependent state. This time-dependent state exhibits an oscillation with a single frequency. Upon further increase of the rod rotation rate, the oscillation becomes modulated by a second frequency. The nature of each transition will be characterized, including the measurement of oscillation amplitudes and the frequency (or frequencies) of the time dependent states. These results will be compared with previous work.(G.S. Beavers, D.D. Joseph, J. Fluid Mech. 69), 475 (1975).(D.D. Joseph, R.L. Fosdick, Arch. Rational Mech. 49), 321 (1973).

  2. Time-dependent projected Hartree-Fock

    SciTech Connect

    Tsuchimochi, Takashi; Van Voorhis, Troy

    2015-03-28

    Projected Hartree-Fock (PHF) has recently emerged as an alternative approach to describing degenerate systems where static correlation is abundant, when the spin-symmetry is projected. Here, we derive a set of linearized time-dependent equations for PHF in order to be able to access excited states. The close connection of such linear-response time-dependent PHF (TDPHF) to the stability condition of a PHF wave function is discussed. Expanding this analysis also makes it possible to give analytical expressions for the projected coupling terms of Hamiltonian and overlaps between excited Slater determinants. TDPHF with spin-projection (TDSUHF) and its Tamm-Dancoff approximation are benchmarked for several electronically degenerate molecules including the dissociating H{sub 2}, F{sub 2} and O{sub 3} at equilibrium, and the distorted ethylene. It is shown that they give consistently better descriptions of excited states than does time-dependent HF (TDHF). Furthermore, we demonstrate that they offer not only singly but also doubly excited states, which naturally arise upon spin-projection. We also address the thermodynamic limit of TDSUHF, using non-interacting He gas. While TDPHF singly excited states tend to converge to those of HF with the size of the system due to the lack of size-extensivity of PHF, doubly excited states remain reasonable even at the thermodynamic limit. We find that the overall performance of our method is systematically better than the regular TDHF in many cases at the same computational scaling.

  3. Energy deposition rates by charged particles measured during the energy budget campaign

    NASA Technical Reports Server (NTRS)

    Urban, A.; Torkar, K. M.; Bjordal, J.; Lundblad, J. A.; Soraas, F.; Grandal, B.; Smith, L. G.; Ulwick, J. C.; Vancour, R. P.

    1982-01-01

    Measurements of the precipitation of electrons and positive ions (in the keV to MeV range) detected aboard eight rockets launched from Northern Scandinavia are reported together with corresponding satellite data. The downgoing integral fluxes indicate the temporal fluctuations during each flight. Height profiles of the energy deposition into the atmosphere at different levels of geomagnetic disturbance are given.

  4. Energy deposition rates by charged particles measured during the energy budget campaign

    NASA Technical Reports Server (NTRS)

    Urban, A.; Torkar, K. M.; Bjordal, J.; Lundblad, J. A.; Soraas, F.; Grandal, B.; Smith, L. G.; Ulwick, J. C.; Vancour, R. P.

    1982-01-01

    Measurements of the precipitation of electrons and positive ions (in the keV to MeV range) detected aboard eight rockets launched from Northern Scandinavia are reported together with corresponding satellite data. The downgoing integral fluxes indicate the temporal fluctuations during each flight. Height profiles of the energy deposition into the atmosphere at different levels of geomagnetic disturbance are given.

  5. Theoretical study of energy deposition in ionization chambers for tritium measurements

    SciTech Connect

    Chen, Zhilin; Peng, Shuming; Meng, Dan; He, Yuehong; Wang, Heyi

    2013-10-15

    Energy deposition in ionization chambers has been theoretically studied for tritium measurements in gaseous form. A one-dimension model is introduced to establish the quantitative relationship between energy deposition rate and many factors, including carrier gas, gas pressure, wall material, chamber size, and gas temperature. Energy deposition rate has been calculated at pressure varying from 5 kPa to 500 kPa based on some approximations. It is found that energy deposition rate varies greatly for different parameters, especially at low gas pressure. For the same chamber, energy deposition rate in argon is much higher than in deuterium, as much as 70.7% higher at 5 kPa. Gold plated chamber gives highest energy deposition rate in the calculations while aluminum chamber results in the lowest. As chamber size gets smaller, β ray emitted by tritium will deposit less energy in the sensitive region of the chamber. For chambers flowing through with the same gas, energy deposition rate in a 10 L chamber is 23.9% higher than in a 0.05 L chamber at 5 kPa. Gas temperature also places slight influence on energy deposition rate, and 373 K will lead to 6.7% lower deposition rate than 233 K at 5 kPa. In addition, experiments have been performed to obtain energy deposition rate in a gold plated chamber, which show good accordance with theoretical calculations.

  6. Theoretical study of energy deposition in ionization chambers for tritium measurements

    NASA Astrophysics Data System (ADS)

    Chen, Zhilin; Peng, Shuming; Meng, Dan; He, Yuehong; Wang, Heyi

    2013-10-01

    Energy deposition in ionization chambers has been theoretically studied for tritium measurements in gaseous form. A one-dimension model is introduced to establish the quantitative relationship between energy deposition rate and many factors, including carrier gas, gas pressure, wall material, chamber size, and gas temperature. Energy deposition rate has been calculated at pressure varying from 5 kPa to 500 kPa based on some approximations. It is found that energy deposition rate varies greatly for different parameters, especially at low gas pressure. For the same chamber, energy deposition rate in argon is much higher than in deuterium, as much as 70.7% higher at 5 kPa. Gold plated chamber gives highest energy deposition rate in the calculations while aluminum chamber results in the lowest. As chamber size gets smaller, β ray emitted by tritium will deposit less energy in the sensitive region of the chamber. For chambers flowing through with the same gas, energy deposition rate in a 10 L chamber is 23.9% higher than in a 0.05 L chamber at 5 kPa. Gas temperature also places slight influence on energy deposition rate, and 373 K will lead to 6.7% lower deposition rate than 233 K at 5 kPa. In addition, experiments have been performed to obtain energy deposition rate in a gold plated chamber, which show good accordance with theoretical calculations.

  7. Modeling Planetary Atmospheric Energy Deposition By Energetic Ions

    NASA Astrophysics Data System (ADS)

    Parkinson, Christopher; Bougher, Stephen; Gronoff, Guillaume; Barthelemy, Mathieu

    2016-07-01

    The structure, dynamics, chemistry, and evolution of planetary upper atmospheres are in large part determined by the available sources of energy. In addition to the solar EUV flux, the solar wind and solar energetic particle (SEP) events are also important sources. Both of these particle populations can significantly affect an atmosphere, causing atmospheric loss and driving chemical reactions. Attention has been paid to these sources from the standpoint of the radiation environment for humans and electronics, but little work has been done to evaluate their impact on planetary atmospheres. At unmagnetized planets or those with crustal field anomalies, in particular, the solar wind and SEPs of all energies have direct access to the atmosphere and so provide a more substantial energy source than at planets having protective global magnetic fields. Additionally, solar wind and energetic particle fluxes should be more significant for planets orbiting more active stars, such as is the case in the early history of the solar system for paleo-Venus and Mars. Therefore quantification of the atmospheric energy input from the solar wind and SEP events is an important component of our understanding of the processes that control their state and evolution. We have applied a full Lorentz motion particle transport model to study the effects of particle precipitation in the upper atmospheres of Mars and Venus. Such modeling has been previously done for Earth and Mars using a guiding center precipitation model. Currently, this code is only valid for particles with small gyroradii in strong uniform magnetic fields. There is a clear necessity for a Lorentz formulation, hence, a systematic study of the ionization, excitation, and energy deposition has been conducted, including a comparison of the influence relative to other energy sources (namely EUV photons). The result is a robust examination of the influence of energetic ion transport on the Venus and Mars upper atmosphere which

  8. Boosting thermoelectric efficiency using time-dependent control

    PubMed Central

    Zhou, Hangbo; Thingna, Juzar; Hänggi, Peter; Wang, Jian-Sheng; Li, Baowen

    2015-01-01

    Thermoelectric efficiency is defined as the ratio of power delivered to the load of a device to the rate of heat flow from the source. Till date, it has been studied in presence of thermodynamic constraints set by the Onsager reciprocal relation and the second law of thermodynamics that severely bottleneck the thermoelectric efficiency. In this study, we propose a pathway to bypass these constraints using a time-dependent control and present a theoretical framework to study dynamic thermoelectric transport in the far from equilibrium regime. The presence of a control yields the sought after substantial efficiency enhancement and importantly a significant amount of power supplied by the control is utilised to convert the wasted-heat energy into useful-electric energy. Our findings are robust against nonlinear interactions and suggest that external time-dependent forcing, which can be incorporated with existing devices, provides a beneficial scheme to boost thermoelectric efficiency. PMID:26464021

  9. Sublinear scaling for time-dependent stochastic density functional theory

    SciTech Connect

    Gao, Yi; Neuhauser, Daniel; Baer, Roi; Rabani, Eran

    2015-01-21

    A stochastic approach to time-dependent density functional theory is developed for computing the absorption cross section and the random phase approximation (RPA) correlation energy. The core idea of the approach involves time-propagation of a small set of stochastic orbitals which are first projected on the occupied space and then propagated in time according to the time-dependent Kohn-Sham equations. The evolving electron density is exactly represented when the number of random orbitals is infinite, but even a small number (≈16) of such orbitals is enough to obtain meaningful results for absorption spectrum and the RPA correlation energy per electron. We implement the approach for silicon nanocrystals using real-space grids and find that the overall scaling of the algorithm is sublinear with computational time and memory.

  10. Jet methods in time-dependent Lagrangian biomechanics

    NASA Astrophysics Data System (ADS)

    Ivancevic, Tijana T.

    2010-10-01

    In this paper we propose the time-dependent generalization of an ‘ordinary’ autonomous human biomechanics, in which total mechanical + biochemical energy is not conserved. We introduce a general framework for time-dependent biomechanics in terms of jet manifolds associated to the extended musculo-skeletal configuration manifold, called the configuration bundle. We start with an ordinary configuration manifold of human body motion, given as a set of its all active degrees of freedom (DOF) for a particular movement. This is a Riemannian manifold with a material metric tensor given by the total mass-inertia matrix of the human body segments. This is the base manifold for standard autonomous biomechanics. To make its time-dependent generalization, we need to extend it with a real time axis. By this extension, using techniques from fibre bundles, we defined the biomechanical configuration bundle. On the biomechanical bundle we define vector-fields, differential forms and affine connections, as well as the associated jet manifolds. Using the formalism of jet manifolds of velocities and accelerations, we develop the time-dependent Lagrangian biomechanics. Its underlying geometric evolution is given by the Ricci flow equation.

  11. Jet methods in time-dependent Lagrangian biomechanics

    NASA Astrophysics Data System (ADS)

    Ivancevic, Tijana

    2010-10-01

    In this paper we propose the time-dependent generalization of an `ordinary' autonomous human biomechanics, in which total mechanical + biochemical energy is not conserved. We introduce a general framework for time-dependent biomechanics in terms of jet manifolds associated to the extended musculo-skeletal configuration manifold, called the configuration bundle. We start with an ordinary configuration manifold of human body motion, given as a set of its all active degrees of freedom (DOF) for a particular movement. This is a Riemannian manifold with a material metric tensor given by the total mass-inertia matrix of the human body segments. This is the base manifold for standard autonomous biomechanics. To make its time-dependent generalization, we need to extend it with a real time axis. By this extension, using techniques from fibre bundles, we defined the biomechanical configuration bundle. On the biomechanical bundle we define vector-fields, differential forms and affine connections, as well as the associated jet manifolds. Using the formalism of jet manifolds of velocities and accelerations, we develop the time-dependent Lagrangian biomechanics. Its underlying geometric evolution is given by the Ricci flow equation.

  12. Time-dependent Partition Density-functional Theory

    NASA Astrophysics Data System (ADS)

    Mosquera, Martin; Wasserman, Adam

    2012-02-01

    We present an extension of time-dependent density functional theory that allows to partition the time-dependent external potential in terms of localized molecular fragment potentials. As a consequence, localized time-dependent densities arise for each molecular fragment. To enforce the condition that the sum of fragments must add up to the exact total density, a new quantity termed ``time-dependent partition potential'' is introduced. The Runge-Gross theorem is employed to show that there is a quasi one-to-one correspondence between the partition potential and the electronic density. The corresponding quantum-mechanical actions are derived by using the van Leeuwen's action and are used to derive a decomposition of the partition potential which allows for practical approximations. Linear response formulas are deduced to obtain the transition energies, and an approximation is suggested to obtain localized excitations in large molecular systems. Finally, numerical illustration of our theory is shown for one-dimensional fermions under the influence of a laser field.

  13. Effect of Energy Input on the Characteristic of AISI H13 and D2 Tool Steels Deposited by a Directed Energy Deposition Process

    NASA Astrophysics Data System (ADS)

    Park, Jun Seok; Park, Joo Hyun; Lee, Min-Gyu; Sung, Ji Hyun; Cha, Kyoung Je; Kim, Da Hye

    2016-05-01

    Among the many additive manufacturing technologies, the directed energy deposition (DED) process has attracted significant attention because of the application of metal products. Metal deposited by the DED process has different properties than wrought metal because of the rapid solidification rate, the high thermal gradient between the deposited metal and substrate, etc. Additionally, many operating parameters, such as laser power, beam diameter, traverse speed, and powder mass flow rate, must be considered since the characteristics of the deposited metal are affected by the operating parameters. In the present study, the effect of energy input on the characteristics of H13 and D2 steels deposited by a direct metal tooling process based on the DED process was investigated. In particular, we report that the hardness of the deposited H13 and D2 steels decreased with increasing energy input, which we discuss by considering microstructural observations and thermodynamics.

  14. Time-Dependent 5D Solutions of the Einstein Equations

    SciTech Connect

    Lopez, L. A.

    2010-07-12

    In this work are obtained 5D time-dependent solutions of Einstein equations, one is obtained by means of equiping a cylindrically symmetry solution (JEKK) with a scalar field, then lifting it to a fifth dimension. The other is obtained transforming the Myers-Perry solution via Wick rotation. The two solutions can be interpreted as gravitational waves in some cases. The singularities and C-energy are addressed.

  15. Excitons in Time-Dependent Density-Functional Theory.

    PubMed

    Ullrich, Carsten A; Yang, Zeng-hui

    2016-01-01

    This chapter gives an overview of the description of the optical and dielectric properties of bulk insulators and semiconductors in time-dependent density-functional theory (TDDFT), with an emphasis on excitons. We review the linear-response formalism for periodic solids, discuss excitonic exchange-correlation kernels, calculate exciton binding energies for various materials, and compare the treatment of excitons with TDDFT and with the Bethe-Salpeter equation.

  16. Time-dependent density functional theory Ehrenfest dynamics: collisions between atomic oxygen and graphite clusters.

    PubMed

    Isborn, Christine M; Li, Xiaosong; Tully, John C

    2007-04-07

    An ab initio direct Ehrenfest dynamics method with time-dependent density functional theory is introduced and applied to collisions of 5 eV oxygen atoms and ions with graphite clusters. Collisions at three different sites are simulated. Kinetic energy transfer from the atomic oxygen to graphite local vibrations is observed and electron-nuclear coupling resulting in electronic excitation within the graphite surface as well as alteration of the atomic charge is first reported in this paper. The three oxygen species studied, O(3P), O-(2P), and O+(4S), deposit different amounts of energy to the surface, with the highest degree of damage to the pi conjugation of the cluster produced by the atomic oxygen cation. Memory of the initial charge state is not lost as the atom approaches, in contrast to the usual assumption.

  17. Time-dependent Hartree approximation and time-dependent harmonic oscillator model

    NASA Astrophysics Data System (ADS)

    Blaizot, J. P.; Schulz, H.

    1982-03-01

    We present an analytically soluble model for studying nuclear collective motion within the framework of the time-dependent Hartree (TDH) approximation. The model reduces the TDH equations to the Schrödinger equation of a time-dependent harmonic oscillator. Using canonical transformations and coherent states we derive a few properties of the time-dependent harmonic oscillator which are relevant for applications. We analyse the role of the normal modes in the time evolution of a system governed by TDH equations. We show how these modes couple together due to the anharmonic terms generated by the non-linearity of the theory.

  18. Energy deposition in low-power coaxial plasma thrusters

    NASA Technical Reports Server (NTRS)

    Myers, R. M.; Kelly, A. J.; Jahn, R. G.

    1991-01-01

    An experimental examination of energy deposition in self-field, coaxial plasma thrusters revealed that the thrust efficiency ranged from 2-9 percent and that the dominant losses resulted from electrode heating and propellant ionization. Sensible enthalpy and radiative losses were negligible. Thruster specific impulse increased with current, ranging from 550-1750 seconds. Spectroscopic studies of the plume plasma showed that the electron temperature ranged from 0.5-2.5 eV and that the dominant species were singly and doubly ionized argon. Attempts to raise thruster efficiency by increasing the chamber pressure resulted in reduced electrode losses and lowered I(sp), but the thrust efficiency decreased because of a current redistribution that lowered the thrust beyond expectations.

  19. Enhancement of fast electron energy deposition by external magnetic fields

    NASA Astrophysics Data System (ADS)

    Honrubia, J. J.; Murakami, M.; Mima, K.; Johzaki, T.; Sunahara, A.; Nagatomo, H.; Fujioka, S.; Shiraga, H.; Azechi, H.

    2016-03-01

    Recently, generation of external magnetic fields of a few kT has been reported [Fujioka et al. Scientific Reports 2013 3 1170]. These fields can be used in fast ignition to mitigate the large fast electron divergence. In this summary, two fast ignition applications are briefly outlined. The first one deals with electron guiding by external B-fields applied at the end of the shell implosion of a re-entrant cone target. Preliminary results show that the B-field strength at the time of peak ρR may be sufficiently high for fast electron guiding. The second application deals with guiding of fast electrons in magnetized wires surrounded by plasma. Results show a significant enhancement of electron energy deposition at the end of the wire, which is particularly important for low-Z wires.

  20. Energy deposition studies for the LBNE beam absorber

    SciTech Connect

    Rakhno, Igor L.; Mokhov, Nikolai V.; Tropin, Igor S.

    2015-01-29

    Results of detailed Monte Carlo energy deposition studies performed for the LBNE absorber core and the surrounding shielding with the MARS15 code are described. The model of the entire facility, that includes a pion-production target, focusing horns, target chase, decay channel, hadron absorber system – all with corresponding radiation shielding – was developed using the recently implemented ROOT-based geometry option in the MARS15 code. This option provides substantial flexibility and automation when developing complex geometry models. Both normal operation and accidental conditions were studied. Various design options were considered, in particular the following: (i) filling the decay pipe with air or helium; (ii) the absorber mask material and shape; (iii) the beam spoiler material and size. Results of detailed thermal calculations with the ANSYS code helped to select the most viable absorber design options.

  1. Energy deposition in low-power coaxial plasma thrusters

    NASA Technical Reports Server (NTRS)

    Myers, R. M.; Kelly, A. J.; Jahn, R. G.

    1991-01-01

    An experimental examination of energy deposition in self-field, coaxial plasma thrusters revealed that the thrust efficiency ranged from 2-9 percent and that the dominant losses resulted from electrode heating and propellant ionization. Sensible enthalpy and radiative losses were negligible. Thruster specific impulse increased with current, ranging from 550-1750 seconds. Spectroscopic studies of the plume plasma showed that the electron temperature ranged from 0.5-2.5 eV and that the dominant species were singly and doubly ionized argon. Attempts to raise thruster efficiency by increasing the chamber pressure resulted in reduced electrode losses and lowered I(sp), but the thrust efficiency decreased because of a current redistribution that lowered the thrust beyond expectations.

  2. Time-dependent Dyson orbital theory.

    PubMed

    Gritsenko, O V; Baerends, E J

    2016-08-21

    Although time-dependent density functional theory (TDDFT) has become the tool of choice for real-time propagation of the electron density ρ(N)(t) of N-electron systems, it also encounters problems in this application. The first problem is the neglect of memory effects stemming from the, in TDDFT virtually unavoidable, adiabatic approximation, the second problem is the reliable evaluation of the probabilities P(n)(t) of multiple photoinduced ionization, while the third problem (which TDDFT shares with other approaches) is the reliable description of continuum states of the electrons ejected in the process of ionization. In this paper time-dependent Dyson orbital theory (TDDOT) is proposed. Exact TDDOT equations of motion (EOMs) for time-dependent Dyson orbitals are derived, which are linear differential equations with just static, feasible potentials of the electron-electron interaction. No adiabatic approximation is used, which formally resolves the first TDDFT problem. TDDOT offers formally exact expressions for the complete evolution in time of the wavefunction of the outgoing electron. This leads to the correlated probability of single ionization P(1)(t) as well as the probabilities of no ionization (P(0)(t)) and multiple ionization of n electrons, P(n)(t), which formally solves the second problem of TDDFT. For two-electron systems a proper description of the required continuum states appears to be rather straightforward, and both P(1)(t) and P(2)(t) can be calculated. Because of the exact formulation, TDDOT is expected to reproduce a notorious memory effect, the "knee structure" of the non-sequential double ionization of the He atom.

  3. Time-Dependent Protein Thermostability Assay.

    PubMed

    Vandecaetsbeek, Ilse; Vangheluwe, Peter

    2016-01-01

    Membrane protein purification often yields rather unstable proteins impeding functional and structural protein characterization. Low protein stability also leads to low purification yields as a result of protein degradation, aggregation, precipitation, and folding instability. It is often required to optimize buffer conditions through numerous iterations of trial and error to improve the homogeneity, stability, and solubility of the protein sample demanding high amounts of purified protein. Therefore we have set up a fast, simple, and high-throughput time-dependent thermostability-based assay at low protein cost to identify protein stabilizing factors to facilitate the handling and characterization of membrane proteins by subsequent structural and functional studies.

  4. The spike timing dependence of plasticity

    PubMed Central

    Feldman, Daniel E.

    2012-01-01

    In spike timing-dependent plasticity (STDP), the order and precise temporal interval between presynaptic and postsynaptic spikes determine the sign and magnitude of long-term potentiation (LTP) or depression (LTD). STDP is widely utilized in models of circuit-level plasticity, development, and learning. However, spike timing is just one of several factors (including firing rate, synaptic cooperativity, and depolarization) that govern plasticity induction, and its relative importance varies across synapses and activity regimes. This review summarizes the forms, cellular mechanisms, and prevalence of STDP, and evaluates the evidence that spike timing is an important determinant of plasticity in vivo. PMID:22920249

  5. Mending the broken PT-regime via an explicit time-dependent Dyson map

    NASA Astrophysics Data System (ADS)

    Fring, Andreas; Frith, Thomas

    2017-08-01

    We demonstrate that non-Hermitian Hamiltonian systems with spontaneously broken PT-symmetry and partially complex eigenvalue spectrum can be made meaningful in a quantum mechanical sense when introducing some explicit time-dependence into their parameters. Exploiting the fact that explicitly time-dependent non-Hermitian Hamiltonians are unobservable and not identical to the energy operators in such a scenario, we show that their corresponding non-Hermitian energy operators develop a different type of PT-symmetry from the Hamiltonians that ensures the reality of their energy spectra. For this purpose we analytically solve the fully time-dependent Dyson equation with all quantities involved being explicitly time-dependent giving rise to a time-dependent metric. The key auxiliary equation to be solved for the two level atomic system considered here is the nonlinear Ermakov-Pinney equation with time-dependent coefficients.

  6. Energy deposition, heat flow, and rapid solidification during laser and electron beam irradiation of materials

    SciTech Connect

    White, C.W.; Aziz, M.J.

    1985-10-01

    The fundamentals of energy deposition, heat flow, and rapid solidification during energy deposition from lasers and electron beams is reviewed. Emphasis is placed on the deposition of energy from pulsed sources (10 to 100 ns pulse duration time) in order to achieve high heating and cooling rates (10/sup 8/ to 10/sup 10/ /sup 0/C/s) in the near surface region. The response of both metals and semiconductors to pulsed energy deposition is considered. Guidelines are presented for the choice of energy source, wavelength, and pulse duration time.

  7. Exact time dependence of solutions to the time-dependent Schrödinger equation

    NASA Astrophysics Data System (ADS)

    Lohe, M. A.

    2009-01-01

    Solutions of the Schrödinger equation with an exact time dependence are derived as eigenfunctions of dynamical invariants which are constructed from time-independent operators using time-dependent unitary transformations. Exact solutions and a closed form expression for the corresponding time evolution operator are found for a wide range of time-dependent Hamiltonians in d dimensions, including non-Hermitean {\\cal PT} -symmetric Hamiltonians. Hamiltonians are constructed using time-dependent unitary spatial transformations comprising dilatations, translations and rotations and solutions are found in several forms: as eigenfunctions of a quadratic invariant, as coherent state eigenfunctions of boson operators, as plane wave solutions from which the general solution is obtained as an integral transform by means of the Fourier transform, and as distributional solutions for which the initial wavefunction is the Dirac δ-function. For the isotropic harmonic oscillator in d dimensions radial solutions are found which extend known results for d = 1, including Barut-Girardello and Perelomov coherent states (i.e., vector coherent states), which are shown to be related to eigenfunctions of the quadratic invariant by the ζ-transformation. This transformation, which leaves the Ermakov equation invariant, implements SU(1, 1) transformations on linear dynamical invariants. \\mathfrak{su}(1, 1) coherent states are derived also for the time-dependent linear potential. Exact solutions are found for Hamiltonians with electromagnetic interactions in which the time-dependent magnetic and electric fields are not necessarily spatially uniform. As an example, it is shown how to find exact solutions of the time-dependent Schrödinger equation for the Dirac magnetic monopole in the presence of time-dependent magnetic and electric fields of a specified form.

  8. Time-dependent convection at high latitudes

    NASA Astrophysics Data System (ADS)

    Idenden, D. W.; Moffett, R. J.; Quegan, S.; Fuller-Rowell, T. J.

    1996-11-01

    A fully time-dependent ionospheric convection model, in which electric potentials are derived by an analytic solution of Laplace's equation, is described. This model has been developed to replace the empirically derived average convection patterns currently used routinely in the Sheffield/SEL/UCL coupled thermosphere/ionosphere/plasmasphere model (CTIP) for modelling disturbed periods. Illustrative studies of such periods indicate that, for the electric field pulsation periods imposed, long-term averages of parameters such as Joule heating and plasma density have significantly different values in a time-dependent model compared to those derived under the same mean conditions in a steady-state model. These differences are indicative of the highly non-linear nature of the processes involved. Acknowledgements. The work done by P. Henelius and E. Vilenius in programme development is gratefully acknowledged. Topical Editor D. Alcayder thanks I. Pryse and A. Vallance-Jones for their help in evaluating this paper.--> Correspondence to: T. Nygrén-->

  9. Time-dependent diffusion in stellar atmospheres

    NASA Astrophysics Data System (ADS)

    Alecian, G.; Stift, M. J.; Dorfi, E. A.

    2011-12-01

    The chemical peculiarities of Ap stars are due to abundance stratifications produced by atomic diffusion in their outer layers. Theoretical models can predict such stratifications, but so far only provide equilibrium solutions which correspond to the maximum depth-dependent abundances for each element that can be supported by the radiation field. However, these stratifications are actually built up through a non-linear, time-dependent process which has never been modelled for realistic stellar atmospheres. Here, we present the first numerical simulations of time-dependent diffusion. We solve the continuity equation after having computed, as accurately as possible, atomic diffusion velocities (with and without a magnetic field) for a simplified fictitious - but still realistic - chemical element: cloudium. The direct comparison with existing observations is not the immediate aim of this work but rather a general understanding of how the stratification build-up proceeds in time and space. Our results raise serious questions as to the relevance of equilibrium solutions and reinforce the suspicion that certain accumulations of chemical elements might prove unstable.

  10. Energy deposition study of low-energy cosmic radiation at sea level

    NASA Astrophysics Data System (ADS)

    Wijesinghe, Pushpa

    In this dissertation work, a computer simulation model based on the Geant4 simulation package has been designed and developed to study the energy deposition and track structures of cosmic muons and their secondary electrons in tissue-like materials. The particle interactions in a cubic water volume were first simulated. To analyze the energy deposition and tracks in small structures, with the intention of studying the energy localization in nanometric structures such as DNA, the chamber was sliced in three dimentions. Validation studies have been performed by comparing the results with experimental, theoretical, and other simulation results to test the accuracy of the simulation model. A human body phantom in sea-level muon environment was modeled to measure the yearly dose to a human from cosmic muons. The yearly dose in this phantom is about 22 millirems. This is close to the accepted value for the yearly dose from cosmic radiation at sea level. Shielding cosmic muons with a concrete slab from 0 to 2 meters increased the dose received by the body. This dissertation presents an extensive study on the interactions of secondary electrons created by muons in water. Index words. Radiation Dosimetry Simulation, Track Structures, Sea-Level muon Flux, Energy Deposition

  11. Control of MR to RR Transition by Pulsed Energy Deposition

    NASA Astrophysics Data System (ADS)

    Yan, Hong; Adelgren, Russell; Elliott, Gregory; Knight, Doyle

    2003-11-01

    This paper presents a study of the effect of a single laser energy pulse on the transition from a Mach Reflection (MR) to a Regular Reflection (RR) in the Dual Solution Domain (DSD). The freestream Mach number is 3.45 and two oblique shock waves are formed by two symmetric 22 degree wedges. These conditions correspond to a point midway within the DSD. A steady MR was first obtained experimentally and numerically, then a single laser pulse was deposited above the horizontal center plane. For the steady MR, the simulation showed the variation of Mach stem height along the span due to side effects. The predicted spanwise averaged Mach stem height was 1.96 mm within 2 percent of the experimental value of 2 mm. The experiment showed that the Mach stem height decreased to 30 percent of its original height due to the interaction with the laser spot and then returned to its original height by 300 microsec. That the Mach stem returned to its original height was most likely due to freestream turbulence in the wind tunnel. The numerical simulation successfully predicted the reverse transition from a stable MR to a stable RR and the stable RR persisted across the span. This study showed the capability of a laser energy pulse to control the reverse transition of MR -> RR within the Dual Solution Domain.

  12. Time-Dependent Delayed Signatures From Energetic Photon Interrogations

    SciTech Connect

    D. R. Norman; J. L. Jones; B. W. Blackburn; S. M. Watson; K. J. Haskell

    2006-08-01

    A pulsed photonuclear interrogation environment is rich with time-dependent, material specific, radiation signatures. Exploitation of these signatures in the delayed time regime (>1us after the photon flash) has been explored through various detection schemes to identify both shielded nuclear material and nitrogen-based explosives. Prompt emission may also be invaluable for these detection methods. Numerical and experimental results, which utilize specially modified neutron and HpGe detectors, are presented which illustrate the efficacy of utilizing these time-dependent signatures. Optimal selection of the appropriate delayed time window is essential to these pulsed inspection systems. For explosive (ANFO surrogate) detection, both numerical models and experimental results illustrate that nearly all 14N(n,y) reactions have occurred within l00 us after the flash. In contrast, however, gamma-ray and neutron signals for nuclear material detection require a delay of several milliseconds after the photon pulse. In this case, any data collected too close to the photon flash results in a spectrum dominated by high energy signals which make it difficult to discern signatures from nuclear material. Specifically, two short-lived, high-energy fission fragments (97Ag(T1/2=5.1 s) and 94Sr(T1/2=75.2 s)) were measured and identified as indicators of the presence of fissionable material. These developments demonstrate that a photon inspection environment can be exploited for time-dependent, material specific signatures through the proper operation of specially modified detectors.

  13. Time-dependent thermoelectric transport for nanoscale thermal machines

    NASA Astrophysics Data System (ADS)

    Daré, A.-M.; Lombardo, P.

    2016-01-01

    We analyze an electronic nanoscale thermal machine driven by time-dependent environment: besides bias and gate voltage variations, we consider also the less prevailing time modulation of the couplings between leads and dot. We provide energy and heat current expressions in such situations, as well as expressions for the power exchanged between the dot+leads system and its outside. Calculations are made in the Keldysh nonequilibrium Green's function framework. We apply these results to design a cyclic refrigerator, circumventing the ambiguity of defining energy flows between subsystems in the case of strong coupling. For fast lead-dot coupling modulation, we observe transient currents which cannot be ascribed to charge tunneling.

  14. Student understanding of time dependence in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Emigh, Paul J.; Passante, Gina; Shaffer, Peter S.

    2015-12-01

    [This paper is part of the Focused Collection on Upper Division Physics Courses.] The time evolution of quantum states is arguably one of the more difficult ideas in quantum mechanics. In this article, we report on results from an investigation of student understanding of this topic after lecture instruction. We demonstrate specific problems that students have in applying time dependence to quantum systems and in recognizing the key role of the energy eigenbasis in determining the time dependence of wave functions. Through analysis of student responses to a set of four interrelated tasks, we categorize some of the difficulties that underlie common errors. The conceptual and reasoning difficulties that have been identified are illustrated through student responses to four sets of questions administered at different points in a junior-level course on quantum mechanics. Evidence is also given that the problems persist throughout undergraduate instruction and into the graduate level.

  15. Tokamak power reactor ignition and time dependent fractional power operation

    SciTech Connect

    Vold, E.L.; Mau, T.K.; Conn, R.W.

    1986-06-01

    A flexible time-dependent and zero-dimensional plasma burn code with radial profiles was developed and employed to study the fractional power operation and the thermal burn control options for an INTOR-sized tokamak reactor. The code includes alpha thermalization and a time-dependent transport loss which can be represented by any one of several currently popular scaling laws for energy confinement time. Ignition parameters were found to vary widely in density-temperature (n-T) space for the range of scaling laws examined. Critical ignition issues were found to include the extent of confinement time degradation by alpha heating, the ratio of ion to electron transport power loss, and effect of auxiliary heating on confinement. Feedback control of the auxiliary power and ion fuel sources are shown to provide thermal stability near the ignition curve.

  16. Energy deposition in low power coaxial plasma thrusters

    NASA Astrophysics Data System (ADS)

    Myers, Roger Metcalf

    The energy deposition in steady-state, low power, coaxial plasma thrusters operated between 10 and 30 kW with argon and nitrogen propellants was studied experimentally and analytically. The major energy sinks were found to be electrode losses (primarily anode), propellant ionization, and thrust. Performance measurements showed the efficiency and specific impulse to vary between two and ten percent and 500 and 1200 seconds, respectively, as functions of thruster current level, propellant flow rate, and thruster geometry. Thrust was found to increase quadratically with current, in agreement with theoretical models of self-field electromagnetic thrusters. Spectroscopic studies of the plasma exhaust with argon propellant showed it to consist primarily of singly and doubly ionized argon, with an electron temperature between 1.2 and 1.7 eV and electron densities between 2 x 10 (exp 13) cu cm and 5 x 10 (exp 13) cu cm. Floating potential measurements showed the anode fall voltage to be between 65 and 95 percent of the total thruster voltage depending on thruster geometry, propellant, and current level. Non-intrusive cathode surface temperature and erosion measurements revealed that the cathode energy balance was governed by electron cooling, surface radiation and conduction through the cathode base. Comparisons of these new results with data from megawatt class, quasi-steady magnetoplasmadynamic thrusters revealed similarities between the plasma properties and acceleration mechanisms of the devices, but showed they have dramatically different anode power fractions. Attempts to increase thruster efficiency by decreasing the chamber radius were not successful, indicating that major changes in thruster design and/or power level will be required to achieve high efficiency, high specific impulse operation.

  17. Fission dynamics within time-dependent Hartree-Fock. II. Boost-induced fission

    NASA Astrophysics Data System (ADS)

    Goddard, Philip; Stevenson, Paul; Rios, Arnau

    2016-01-01

    Background: Nuclear fission is a complex large-amplitude collective decay mode in heavy nuclei. Microscopic density functional studies of fission have previously concentrated on adiabatic approaches based on constrained static calculations ignoring dynamical excitations of the fissioning nucleus and the daughter products. Purpose: We explore the ability of dynamic mean-field methods to describe induced fission processes, using quadrupole boosts in the nuclide 240Pu as an example. Methods: Following upon the work presented in Goddard et al. [Phys. Rev. C 92, 054610 (2015)], 10.1103/PhysRevC.92.054610, quadrupole-constrained Hartree-Fock calculations are used to create a potential energy surface. An isomeric state and a state beyond the second barrier peak are excited by means of instantaneous as well as temporally extended gauge boosts with quadrupole shapes. The subsequent deexcitation is studied in a time-dependent Hartree-Fock simulation, with emphasis on fissioned final states. The corresponding fission fragment mass numbers are studied. Results: In general, the energy deposited by the quadrupole boost is quickly absorbed by the nucleus. In instantaneous boosts, this leads to fast shape rearrangements and violent dynamics that can ultimately lead to fission. This is a qualitatively different process than the deformation-induced fission. Boosts induced within a finite time window excite the system in a relatively gentler way and do induce fission but with a smaller energy deposition. Conclusions: The fission products obtained using boost-induced fission in time-dependent Hartree-Fock are more asymmetric than the fragments obtained in deformation-induced fission or the corresponding adiabatic approaches.

  18. Time dependent thermal properties of disordered solids

    NASA Astrophysics Data System (ADS)

    Ochiai, Moyuru

    2009-04-01

    In experiments, the entropy of glass is measured by heat flow, and this leads the fact that the entropy determined by cooling and heating shows respectively lower and upper bounds of the entropy defined by statistical thermodynamics. This report presents a new theoretical approach by stochastic theory to the above phenomenon obtained by experiments of glass and makes clear the relation between calorimetric entropy and statistical mechanical one caused by the non-equilibrium process of a glass state with heat exchange. The method shown here can be applied not only so-called glass but also disordered solids. In this theory, a master equation used in non-equilibrium statistical mechanics is basic. Furthermore, a canonical distribution of fluctuations extended to the time-dependent case and detailed balance equation are the key of our theory.

  19. Time-dependent Cooling in Photoionized Plasma

    NASA Astrophysics Data System (ADS)

    Gnat, Orly

    2017-02-01

    I explore the thermal evolution and ionization states in gas cooling from an initially hot state in the presence of external photoionizing radiation. I compute the equilibrium and nonequilibrium cooling efficiencies, heating rates, and ion fractions for low-density gas cooling while exposed to the ionizing metagalactic background radiation at various redshifts (z = 0 ‑ 3), for a range of temperatures (108–104 K), densities (10‑7–103 cm‑3), and metallicities (10‑3–2 times solar). The results indicate the existence of a threshold ionization parameter, above which the cooling efficiencies are very close to those in photoionization equilibrium (so that departures from equilibrium may be neglected), and below which the cooling efficiencies resemble those in collisional time-dependent gas cooling with no external radiation (and are thus independent of density).

  20. Determination of Time Dependent Virus Inactivation Rates

    NASA Astrophysics Data System (ADS)

    Chrysikopoulos, C. V.; Vogler, E. T.

    2003-12-01

    A methodology is developed for estimating temporally variable virus inactivation rate coefficients from experimental virus inactivation data. The methodology consists of a technique for slope estimation of normalized virus inactivation data in conjunction with a resampling parameter estimation procedure. The slope estimation technique is based on a relatively flexible geostatistical method known as universal kriging. Drift coefficients are obtained by nonlinear fitting of bootstrap samples and the corresponding confidence intervals are obtained by bootstrap percentiles. The proposed methodology yields more accurate time dependent virus inactivation rate coefficients than those estimated by fitting virus inactivation data to a first-order inactivation model. The methodology is successfully applied to a set of poliovirus batch inactivation data. Furthermore, the importance of accurate inactivation rate coefficient determination on virus transport in water saturated porous media is demonstrated with model simulations.

  1. Time-dependent landslide probability mapping

    USGS Publications Warehouse

    Campbell, Russell H.; Bernknopf, Richard L.; ,

    1993-01-01

    Case studies where time of failure is known for rainfall-triggered debris flows can be used to estimate the parameters of a hazard model in which the probability of failure is a function of time. As an example, a time-dependent function for the conditional probability of a soil slip is estimated from independent variables representing hillside morphology, approximations of material properties, and the duration and rate of rainfall. If probabilities are calculated in a GIS (geomorphic information system ) environment, the spatial distribution of the result for any given hour can be displayed on a map. Although the probability levels in this example are uncalibrated, the method offers a potential for evaluating different physical models and different earth-science variables by comparing the map distribution of predicted probabilities with inventory maps for different areas and different storms. If linked with spatial and temporal socio-economic variables, this method could be used for short-term risk assessment.

  2. Time Dependent Fluid Occurrence Offshore Taiwan

    NASA Astrophysics Data System (ADS)

    Chen, L.

    2010-12-01

    Time Dependent Fluid Occurrence Offshore Taiwan Liwen Chenab, Wu-Cheng Chia, Char-Shine Liuc (mma@earth.sinica.edu.tw)(wchi@gate.sinica.edu.tw) ; aInstitute of Earth Sciences, Academia Sinica, Taipei, Taiwan bInstitute of Geosciences, National Taiwan University, Taipei, Taiwan ; cInstitute of Oceanography, National Taiwan University, Taipei, Taiwan Earthquake-induced groundwater flows have been observed recently. Such fluid flow might temporarily change the temperature field in the crust. Here we used seismically detected gas hydrate under seafloor to study the temperature fields at a few hundred meters subbottom depth before, and after the 2006 Henchuan earthquake (Mw7.0). We used the hydrate-related bottom-simulating-reflector (BSR) in seismic profiles to study the effects of gas/fluid migration on the BSR attributes. We have conducted two seismic experiments before and after the earthquake across the same transects near the hypocenter of the earthquake using similar air gun arrays and streamers. By analyzing this unique dataset, we found enhanced BSR reflectivity in average after the earthquake (~0.03), but the Sea-floor reflectivity is very similar (~0.5). We also found changed amplitudes versus offset (AVO) in the dataset (the gradient of reflection coefficient versus the angles was ~-0.34). We interpret these results as a consequence of earthquake-induced gas and fluid migration, bringing the gases underneath the BSR, thus the enhanced reflection coefficients. Next we will explore new methods to use the BSR as a flow meter. Using time-dependent seismic attribute analyses across transects before and after a large earthquake, we found strong evidences of earthquake-related fluid migrations and possibly associated temperature perturbations. This is among the first studies to document such feature in the offshore region.

  3. Local Measurement of Fuel Energy Deposition and Heat Transfer Environment During Fuel Lifetime Using Controlled Calorimetry

    SciTech Connect

    Don W. Miller; Andrew Kauffmann; Eric Kreidler; Dongxu Li; Hanying Liu; Daniel Mills; Thomas D. Radcliff; Joseph Talnagi

    2001-12-31

    A comprehensive description of the accomplishments of the DOE grant titled, ''Local Measurement of Fuel Energy Deposition and Heat Transfer Environment During Fuel Lifetime using Controlled Calorimetry''.

  4. Vapor-deposited porous films for energy conversion

    DOEpatents

    Jankowski, Alan F.; Hayes, Jeffrey P.; Morse, Jeffrey D.

    2005-07-05

    Metallic films are grown with a "spongelike" morphology in the as-deposited condition using planar magnetron sputtering. The morphology of the deposit is characterized by metallic continuity in three dimensions with continuous and open porosity on the submicron scale. The stabilization of the spongelike morphology is found over a limited range of the sputter deposition parameters, that is, of working gas pressure and substrate temperature. This spongelike morphology is an extension of the features as generally represented in the classic zone models of growth for physical vapor deposits. Nickel coatings were deposited with working gas pressures up 4 Pa and for substrate temperatures up to 1000 K. The morphology of the deposits is examined in plan and in cross section views with scanning electron microscopy (SEM). The parametric range of gas pressure and substrate temperature (relative to absolute melt point) under which the spongelike metal deposits are produced appear universal for other metals including gold, silver, and aluminum.

  5. Time-dependent quantum wave packet study of the Ar+H2+→ArH(+)+H reaction on a new ab initio potential energy surface for the ground electronic state (1(2)A').

    PubMed

    Hu, Mei; Xu, Wenwu; Liu, Xinguo; Tan, Ruishan; Li, Hongzheng

    2013-05-07

    A new global potential energy surface for the ground electronic state (1(2)A') of the Ar+H2(+)→ArH(+)+H reaction has been constructed by multi-reference configuration interaction method with Davidson correction and a basis set of aug-cc-pVQZ. Using 6080 ab initio single-point energies of all the regions for the dynamics, a many-body expansion function form has been used to fit these points. The quantum reactive scattering dynamics calculations taking into account the Coriolis coupling (CC) were carried out on the new potential energy surface over a range of collision energies (0.03-1.0 eV). The reaction probabilities and integral cross sections for the title reaction were calculated. The significance of including the CC quantum scattering calculation has been revealed by the comparison between the CC and the centrifugal sudden approximation calculation. The calculated cross section is in agreement with the experimental result at collision energy 1.0 eV.

  6. Time-dependent quantum wave packet study of the Ar+H{sub 2}{sup +}{yields}ArH{sup +}+H reaction on a new ab initio potential energy surface for the ground electronic state (1{sup 2}A Prime )

    SciTech Connect

    Hu Mei; Liu Xinguo; Tan Ruishan; Li Hongzheng; Xu Wenwu

    2013-05-07

    A new global potential energy surface for the ground electronic state (1{sup 2}A Prime ) of the Ar+H{sub 2}{sup +}{yields}ArH{sup +}+H reaction has been constructed by multi-reference configuration interaction method with Davidson correction and a basis set of aug-cc-pVQZ. Using 6080 ab initio single-point energies of all the regions for the dynamics, a many-body expansion function form has been used to fit these points. The quantum reactive scattering dynamics calculations taking into account the Coriolis coupling (CC) were carried out on the new potential energy surface over a range of collision energies (0.03-1.0 eV). The reaction probabilities and integral cross sections for the title reaction were calculated. The significance of including the CC quantum scattering calculation has been revealed by the comparison between the CC and the centrifugal sudden approximation calculation. The calculated cross section is in agreement with the experimental result at collision energy 1.0 eV.

  7. Recent results on time-dependent Hamiltonian oscillators

    NASA Astrophysics Data System (ADS)

    Robnik, M.

    2016-09-01

    Time-dependent Hamilton systems are important in modeling the nondissipative interaction of the system with its environment. We review some recent results and present some new ones. In time-dependent, parametrically driven, one-dimensional linear oscillator, the complete analysis can be performed (in the sense explained below), also using the linear WKB method. In parametrically driven nonlinear oscillators extensive numerical studies have been performed, and the nonlinear WKB-like method can be applied for homogeneous power law potentials (which e.g. includes the quartic oscillator). The energy in time-dependent Hamilton systems is not conserved, and we are interested in its evolution in time, in particular the evolution of the microcanonical ensemble of initial conditions. In the ideal adiabatic limit (infinitely slow parametric driving) the energy changes according to the conservation of the adiabatic invariant, but has a Dirac delta distribution. However, in the general case the initial Dirac delta distribution of the energy spreads and we follow its evolution, especially in the two limiting cases, the slow variation close to the adiabatic regime, and the fastest possible change - a parametric kick, i.e. discontinuous jump (of a parameter), where some exact analytic results are obtained (the so-called PR property, and ABR property). For the linear oscillator the distribution of the energy is always, rigorously, the arcsine distribution, whose variance can in general be calculated by the linear WKB method, while in nonlinear systems there is no such universality. We calculate the Gibbs entropy for the ensembles of noninteracting nonlinear oscillator, which gives the right equipartition and thermostatic laws even for one degree of freedom.

  8. Relativistic Coulomb excitation within the time dependent superfluid local density approximation

    SciTech Connect

    Stetcu, I.; Bertulani, C. A.; Bulgac, A.; Magierski, P.; Roche, K. J.

    2015-01-06

    Within the framework of the unrestricted time-dependent density functional theory, we present for the first time an analysis of the relativistic Coulomb excitation of the heavy deformed open shell nucleus 238U. The approach is based on the superfluid local density approximation formulated on a spatial lattice that can take into account coupling to the continuum, enabling self-consistent studies of superfluid dynamics of any nuclear shape. We compute the energy deposited in the target nucleus as a function of the impact parameter, finding it to be significantly larger than the estimate using the Goldhaber-Teller model. The isovector giant dipole resonance, the dipole pygmy resonance, and giant quadrupole modes are excited during the process. As a result, the one-body dissipation of collective dipole modes is shown to lead a damping width Γ↓≈0.4 MeV and the number of preequilibrium neutrons emitted has been quantified.

  9. Time-dependent neutron and photon dose-field analysis

    NASA Astrophysics Data System (ADS)

    Wooten, Hasani Omar

    2005-11-01

    A unique tool is developed that allows the user to model physical representations of complicated glovebox facilities in two dimensions and determine neutral-particle flux and ambient dose-equivalent fields throughout that geometry. The code Pandemonium, originally designed to determine flux and dose rates only, has been improved to include realistic glovebox geometries, time-dependent source and detector positions, time-dependent shielding thickness calculations, time-integrated doses, a representative criticality accident scenario based on time-dependent reactor kinetics, and more rigorous photon treatment. The photon model has been significantly enhanced by expanding the energy range to 10 MeV to include fission photons, and by including a set of new buildup factors, the result of an extensive study into the previously unknown "purely-angular effect" on photon buildup. Purely-angular photon buildup factors are determined using discrete ordinates and coupled electron-photon cross sections to account for coherent and incoherent scattering and secondary photon effects of bremsstrahlung and florescence. Improvements to Pandemonium result in significant modeling capabilities for processing facilities using intense neutron and photon sources, and the code obtains comparable results to Monte Carlo calculations but within a fraction of the time required to run such codes as MCNPX.

  10. Deposition of dopant impurities and pulsed energy drive-in

    DOEpatents

    Wickboldt, Paul; Carey, Paul G.; Smith, Patrick M.; Ellingboe, Albert R.

    2008-01-01

    A semiconductor doping process which enhances the dopant incorporation achievable using the Gas Immersion Laser Doping (GILD) technique. The enhanced doping is achieved by first depositing a thin layer of dopant atoms on a semiconductor surface followed by exposure to one or more pulses from either a laser or an ion-beam which melt a portion of the semiconductor to a desired depth, thus causing the dopant atoms to be incorporated into the molten region. After the molten region recrystallizes the dopant atoms are electrically active. The dopant atoms are deposited by plasma enhanced chemical vapor deposition (PECVD) or other known deposition techniques.

  11. Deposition of dopant impurities and pulsed energy drive-in

    DOEpatents

    Wickboldt, Paul; Carey, Paul G.; Smith, Patrick M.; Ellingboe, Albert R.

    1999-01-01

    A semiconductor doping process which enhances the dopant incorporation achievable using the Gas Immersion Laser Doping (GILD) technique. The enhanced doping is achieved by first depositing a thin layer of dopant atoms on a semiconductor surface followed by exposure to one or more pulses from either a laser or an ion-beam which melt a portion of the semiconductor to a desired depth, thus causing the dopant atoms to be incorporated into the molten region. After the molten region recrystallizes the dopant atoms are electrically active. The dopant atoms are deposited by plasma enhanced chemical vapor deposition (PECVD) or other known deposition techniques.

  12. Deposition of dopant impurities and pulsed energy drive-in

    DOEpatents

    Wickboldt, P.; Carey, P.G.; Smith, P.M.; Ellingboe, A.R.

    1999-06-29

    A semiconductor doping process which enhances the dopant incorporation achievable using the Gas Immersion Laser Doping (GILD) technique is disclosed. The enhanced doping is achieved by first depositing a thin layer of dopant atoms on a semiconductor surface followed by exposure to one or more pulses from either a laser or an ion-beam which melt a portion of the semiconductor to a desired depth, thus causing the dopant atoms to be incorporated into the molten region. After the molten region recrystallizes the dopant atoms are electrically active. The dopant atoms are deposited by plasma enhanced chemical vapor deposition (PECVD) or other known deposition techniques. 2 figs.

  13. Deposition of dopant impurities and pulsed energy drive-in

    DOEpatents

    Wickboldt, Paul; Carey, Paul G.; Smith, Patrick M.; Ellingboe, Albert R.

    2008-01-01

    A semiconductor doping process which enhances the dopant incorporation achievable using the Gas Immersion Laser Doping (GILD) technique. The enhanced doping is achieved by first depositing a thin layer of dopant atoms on a semiconductor surface followed by exposure to one or more pulses from either a laser or an ion-beam which melt a portion of the semiconductor to a desired depth, thus causing the dopant atoms to be incorporated into the molten region. After the molten region recrystallizes the dopant atoms are electrically active. The dopant atoms are deposited by plasma enhanced chemical vapor deposition (PECVD) or other known deposition techniques.

  14. Solvable time-dependent models in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Cordero-Soto, Ricardo J.

    In the traditional setting of quantum mechanics, the Hamiltonian operator does not depend on time. While some Schrodinger equations with time-dependent Hamiltonians have been solved, explicitly solvable cases are typically scarce. This thesis is a collection of papers in which this first author along with Suslov, Suazo, and Lopez, has worked on solving a series of Schrodinger equations with a time-dependent quadratic Hamiltonian that has applications in problems of quantum electrodynamics, lasers, quantum devices such as quantum dots, and external varying fields. In particular the author discusses a new completely integrable case of the time-dependent Schrodinger equation in Rn with variable coefficients for a modified oscillator, which is dual with respect to the time inversion to a model of the quantum oscillator considered by Meiler, Cordero-Soto, and Suslov. A second pair of dual Hamiltonians is found in the momentum representation. Our examples show that in mathematical physics and quantum mechanics a change in the direction of time may require a total change of the system dynamics in order to return the system back to its original quantum state. The author also considers several models of the damped oscillators in nonrelativistic quantum mechanics in a framework of a general approach to the dynamics of the time-dependent Schrodinger equation with variable quadratic Hamiltonians. The Green functions are explicitly found in terms of elementary functions and the corresponding gauge transformations are discussed. The factorization technique is applied to the case of a shifted harmonic oscillator. The time-evolution of the expectation values of the energy related operators is determined for two models of the quantum damped oscillators under consideration. The classical equations of motion for the damped oscillations are derived for the corresponding expectation values of the position operator. Finally, the author constructs integrals of motion for several models

  15. Infrared Blobs : Time-dependent Flags

    NASA Astrophysics Data System (ADS)

    McCullough, P. R.; Mack, J.; Dulude, M.; Hilbert, B.

    2014-10-01

    We describe the creation of time-dependent flags for pixels associated with "blobs" on the WFC3 IR detector. We detect the blobs on flat fields obtained by repeated observations of the night side of the Earth. We provide the most complete census of IR blobs' positions, radii, and times of first appearance. In aggregate, a set of 46 blobs, 27 "strong" and 19 "medium" in their effective scattering cross section, affect slightly less than 1% of the pixels of the detector. A second set of 81 "weak" (and typically smaller) blobs affect another 1% of the pixels. In the past, the "blob" flag, bit 9 (i.e. value = 512) in the data quality (DQ) array described in Table 2.5 of the WFC3 Data Handbook (Rajan et al. 2010) has been a static 2-D array; henceforth a set of such arrays, each associated with a "use after" date corresponding to the appearance of one or more new blobs, can be used. We prepared such DQ arrays using the 46 "strong" and "medium" blobs and discuss why we did not include the fainter blobs therein. As an added data product, we create and test a blob flat field that corrects the effects of blobs on extended emission; however, it should not be applied if stellar photometry is the goal.

  16. Time-dependent deformations on marine clays on submarine slopes

    SciTech Connect

    Silva, A.J.; Brandes, H.; Sadd, M.H.; Tian, W.M. )

    1990-06-01

    Evidence from geological and geophysical records indicates that time-dependent deformations occur on or within many submarine slopes. Laboratory studies on marine clays from the slope/rise and the ocean's basin have shown that these clays are generally quite viscous and therefore can be expected to deform in the field even under such small stresses as those caused by the downslope component of gravity on relatively gentle slopes. The nature and extent of these deformations has important geologic and engineering applications and depends on a number of factors. A research program at the University of Rhode Island is under way to study these factors, make predictions on rates of displacement, and identify environmental conditions that may lead to catastrophic mass failures. A laboratory testing program on the time-dependent characteristics of marine clays has been under way for a number of years. The data include, among others, long-term drained triaxial, one-dimensional, and direct simple shear creep tests. These results along with practical considerations are used to select a constitutive model for inclusion in the numerical code. Sediment deposits encountered on the continental slope and rise can vary substantially both in composition and behavior over relatively short distances. To analyze the integrated behavior of such a continuum, the authors have selected the finite element method. The code being developed will initially include a numerical model proposed by other investigators. With the aid of the developed methodology, creep deformations can be studied for a number of field cases of interest.

  17. Efficient auxiliary-mode approach for time-dependent nanoelectronics

    NASA Astrophysics Data System (ADS)

    Popescu, Bogdan Stefan; Croy, Alexander

    2016-09-01

    A new scheme for numerically solving the equations arising in the time-dependent non-equilibrium Green's function formalism is developed. It is based on an auxiliary-mode expansion of the self-energies which convert the complicated set of integro-differential equations into a set of ordinary differential equations. In the new scheme all auxiliary matrices are replaced by vectors or scalars. This drastically reduces the computational effort and memory requirements of the method, rendering it applicable to topical problems in electron quantum optics and molecular electronics. As an illustrative example we consider the dynamics of a Leviton wave-packet in a 1D wire.

  18. Time dependent modeling of non-LTE plasmas: Final report

    SciTech Connect

    Not Available

    1988-06-01

    During the period of performance of this contract Science Applications International Corporation (SAIC) has aided Lawrence Livermore National Laboratory (LLNL) in the development of an unclassified modeling tool for studying time evolution of high temperature ionizing and recombining plasmas. This report covers the numerical code developed, (D)ynamic (D)etailed (C)onfiguration (A)ccounting (DDCA), which was written to run on the National Magnetic Fusion Energy Computing Center (NMFECC) network as well as the classified Livermore Computer Center (OCTOPUS) network. DDCA is a One-Dimensional (1D) time dependent hydrodynamic model which makes use of the non-LTE detailed atomic physics ionization model DCA. 5 refs.

  19. Time-dependence in mixture toxicity prediction.

    PubMed

    Dawson, Douglas A; Allen, Erin M G; Allen, Joshua L; Baumann, Hannah J; Bensinger, Heather M; Genco, Nicole; Guinn, Daphne; Hull, Michael W; Il'Giovine, Zachary J; Kaminski, Chelsea M; Peyton, Jennifer R; Schultz, T Wayne; Pöch, Gerald

    2014-12-04

    The value of time-dependent toxicity (TDT) data in predicting mixture toxicity was examined. Single chemical (A and B) and mixture (A+B) toxicity tests using Microtox(®) were conducted with inhibition of bioluminescence (Vibrio fischeri) being quantified after 15, 30 and 45-min of exposure. Single chemical and mixture tests for 25 sham (A1:A2) and 125 true (A:B) combinations had a minimum of seven duplicated concentrations with a duplicated control treatment for each test. Concentration/response (x/y) data were fitted to sigmoid curves using the five-parameter logistic minus one parameter (5PL-1P) function, from which slope, EC25, EC50, EC75, asymmetry, maximum effect, and r(2) values were obtained for each chemical and mixture at each exposure duration. Toxicity data were used to calculate percentage-based TDT values for each individual chemical and mixture of each combination. Predicted TDT values for each mixture were calculated by averaging the TDT values of the individual components and regressed against the observed TDT values obtained in testing, resulting in strong correlations for both sham (r(2)=0.989, n=25) and true mixtures (r(2)=0.944, n=125). Additionally, regression analyses confirmed that observed mixture TDT values calculated for the 50% effect level were somewhat better correlated with predicted mixture TDT values than at the 25 and 75% effect levels. Single chemical and mixture TDT values were classified into five levels in order to discern trends. The results suggested that the ability to predict mixture TDT by averaging the TDT of the single agents was modestly reduced when one agent of the combination had a positive TDT value and the other had a minimal or negative TDT value. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  20. Time dependence of Hawking radiation entropy

    SciTech Connect

    Page, Don N.

    2013-09-01

    If a black hole starts in a pure quantum state and evaporates completely by a unitary process, the von Neumann entropy of the Hawking radiation initially increases and then decreases back to zero when the black hole has disappeared. Here numerical results are given for an approximation to the time dependence of the radiation entropy under an assumption of fast scrambling, for large nonrotating black holes that emit essentially only photons and gravitons. The maximum of the von Neumann entropy then occurs after about 53.81% of the evaporation time, when the black hole has lost about 40.25% of its original Bekenstein-Hawking (BH) entropy (an upper bound for its von Neumann entropy) and then has a BH entropy that equals the entropy in the radiation, which is about 59.75% of the original BH entropy 4πM{sub 0}{sup 2}, or about 7.509M{sub 0}{sup 2} ≈ 6.268 × 10{sup 76}(M{sub 0}/M{sub s}un){sup 2}, using my 1976 calculations that the photon and graviton emission process into empty space gives about 1.4847 times the BH entropy loss of the black hole. Results are also given for black holes in initially impure states. If the black hole starts in a maximally mixed state, the von Neumann entropy of the Hawking radiation increases from zero up to a maximum of about 119.51% of the original BH entropy, or about 15.018M{sub 0}{sup 2} ≈ 1.254 × 10{sup 77}(M{sub 0}/M{sub s}un){sup 2}, and then decreases back down to 4πM{sub 0}{sup 2} = 1.049 × 10{sup 77}(M{sub 0}/M{sub s}un){sup 2}.

  1. Time-dependent radioactivity distribution in MAFF

    NASA Astrophysics Data System (ADS)

    Nebel, F.; Zech, E.; Faestermann, T.; Krücken, R.; Maier-Komor, P.; Assmann, W.; Szerypo, J.; Groß, M.; Kester, O.; Thirolf, P. G.; Grötzschel, R.

    2006-05-01

    The Munich Accelerator for Fission Fragments is planned to be installed at the FRM II in Garching. It will operate a uranium-carbide-loaded graphite matrix as a target for neutron-induced fission. The radioactive reaction fragments leave the ion source as both, atoms and ions. For radiation safety it is imperative to have a basic understanding of the fragment distribution within the beam line. Atoms leaving the graphite matrix will spread like a gas and stick to surfaces depending on their species. A probabilistic Monte-Carlo approach is used to predict the surface coating of internal surfaces of the beam line for all fission nuclides. To decrease calculation time, the problem is reduced to two dimensions with the surface areas being a measure for the probability, that they are hit by a particle. The program is completely time dependent to implement radioactive decay. Ions leaving the fission ion source are transported by electrostatic means towards the mass pre-separator, a low-resolution dipole magnet with a complex slit system in the focal plane. All unwanted ions are stopped at the slits, resulting in a high level of radioactive contamination. While it is advantageous for shielding purposes to have the majority of the contamination in one point, precautions must be taken to ensure that it stays that way. Material corrosion caused by sputtering will release previously implanted radionuclides. To reduce this effect, different methods are under investigation, one of which is changing the slit geometry. The considered designs will be described and experimental results will be shown.

  2. Time dependence of Hawking radiation entropy

    NASA Astrophysics Data System (ADS)

    Page, Don N.

    2013-09-01

    If a black hole starts in a pure quantum state and evaporates completely by a unitary process, the von Neumann entropy of the Hawking radiation initially increases and then decreases back to zero when the black hole has disappeared. Here numerical results are given for an approximation to the time dependence of the radiation entropy under an assumption of fast scrambling, for large nonrotating black holes that emit essentially only photons and gravitons. The maximum of the von Neumann entropy then occurs after about 53.81% of the evaporation time, when the black hole has lost about 40.25% of its original Bekenstein-Hawking (BH) entropy (an upper bound for its von Neumann entropy) and then has a BH entropy that equals the entropy in the radiation, which is about 59.75% of the original BH entropy 4πM02, or about 7.509M02 ≈ 6.268 × 1076(M0/Msolar)2, using my 1976 calculations that the photon and graviton emission process into empty space gives about 1.4847 times the BH entropy loss of the black hole. Results are also given for black holes in initially impure states. If the black hole starts in a maximally mixed state, the von Neumann entropy of the Hawking radiation increases from zero up to a maximum of about 119.51% of the original BH entropy, or about 15.018M02 ≈ 1.254 × 1077(M0/Msolar)2, and then decreases back down to 4πM02 = 1.049 × 1077(M0/Msolar)2.

  3. Influence of deposited energy on shock wave induced by underwater pulsed current discharge

    NASA Astrophysics Data System (ADS)

    Li, Xian-Dong; Liu, Yi; Liu, Si-Wei; Li, Zhi-Yuan; Zhou, Gu-Yue; Li, Hua; Lin, Fu-Chang; Pan, Yuan

    2016-10-01

    In this paper, an integrated experimental system is established to study the influence of deposited energy on the intensity of the shock wave induced by underwater pulse discharge. Considering the time varying behavior of the arc, the calculation methods of the deposited energy into the plasma channel and the average arc resistance are proposed and presented. The effect of the breakdown process on the deposited energy and the shock wave is analyzed. It can be concluded that the shock wave intensity can be improved by depositing more energy in the first half oscillation period and increasing the arc resistance. It is also found that the energy deposition and the shock wave intensity are significantly influenced by the breakdown time delay and the shape of the initial plasma channel.

  4. Towards time-dependent current-density-functional theory in the non-linear regime

    SciTech Connect

    Escartín, J. M.; Vincendon, M.; Dinh, P. M.; Suraud, E.; Romaniello, P.; Reinhard, P.-G.

    2015-02-28

    Time-Dependent Density-Functional Theory (TDDFT) is a well-established theoretical approach to describe and understand irradiation processes in clusters and molecules. However, within the so-called adiabatic local density approximation (ALDA) to the exchange-correlation (xc) potential, TDDFT can show insufficiencies, particularly in violently dynamical processes. This is because within ALDA the xc potential is instantaneous and is a local functional of the density, which means that this approximation neglects memory effects and long-range effects. A way to go beyond ALDA is to use Time-Dependent Current-Density-Functional Theory (TDCDFT), in which the basic quantity is the current density rather than the density as in TDDFT. This has been shown to offer an adequate account of dissipation in the linear domain when the Vignale-Kohn (VK) functional is used. Here, we go beyond the linear regime and we explore this formulation in the time domain. In this case, the equations become very involved making the computation out of reach; we hence propose an approximation to the VK functional which allows us to calculate the dynamics in real time and at the same time to keep most of the physics described by the VK functional. We apply this formulation to the calculation of the time-dependent dipole moment of Ca, Mg and Na{sub 2}. Our results show trends similar to what was previously observed in model systems or within linear response. In the non-linear domain, our results show that relaxation times do not decrease with increasing deposited excitation energy, which sets some limitations to the practical use of TDCDFT in such a domain of excitations.

  5. Towards time-dependent current-density-functional theory in the non-linear regime.

    PubMed

    Escartín, J M; Vincendon, M; Romaniello, P; Dinh, P M; Reinhard, P-G; Suraud, E

    2015-02-28

    Time-Dependent Density-Functional Theory (TDDFT) is a well-established theoretical approach to describe and understand irradiation processes in clusters and molecules. However, within the so-called adiabatic local density approximation (ALDA) to the exchange-correlation (xc) potential, TDDFT can show insufficiencies, particularly in violently dynamical processes. This is because within ALDA the xc potential is instantaneous and is a local functional of the density, which means that this approximation neglects memory effects and long-range effects. A way to go beyond ALDA is to use Time-Dependent Current-Density-Functional Theory (TDCDFT), in which the basic quantity is the current density rather than the density as in TDDFT. This has been shown to offer an adequate account of dissipation in the linear domain when the Vignale-Kohn (VK) functional is used. Here, we go beyond the linear regime and we explore this formulation in the time domain. In this case, the equations become very involved making the computation out of reach; we hence propose an approximation to the VK functional which allows us to calculate the dynamics in real time and at the same time to keep most of the physics described by the VK functional. We apply this formulation to the calculation of the time-dependent dipole moment of Ca, Mg and Na2. Our results show trends similar to what was previously observed in model systems or within linear response. In the non-linear domain, our results show that relaxation times do not decrease with increasing deposited excitation energy, which sets some limitations to the practical use of TDCDFT in such a domain of excitations.

  6. Towards time-dependent current-density-functional theory in the non-linear regime

    NASA Astrophysics Data System (ADS)

    Escartín, J. M.; Vincendon, M.; Romaniello, P.; Dinh, P. M.; Reinhard, P.-G.; Suraud, E.

    2015-02-01

    Time-Dependent Density-Functional Theory (TDDFT) is a well-established theoretical approach to describe and understand irradiation processes in clusters and molecules. However, within the so-called adiabatic local density approximation (ALDA) to the exchange-correlation (xc) potential, TDDFT can show insufficiencies, particularly in violently dynamical processes. This is because within ALDA the xc potential is instantaneous and is a local functional of the density, which means that this approximation neglects memory effects and long-range effects. A way to go beyond ALDA is to use Time-Dependent Current-Density-Functional Theory (TDCDFT), in which the basic quantity is the current density rather than the density as in TDDFT. This has been shown to offer an adequate account of dissipation in the linear domain when the Vignale-Kohn (VK) functional is used. Here, we go beyond the linear regime and we explore this formulation in the time domain. In this case, the equations become very involved making the computation out of reach; we hence propose an approximation to the VK functional which allows us to calculate the dynamics in real time and at the same time to keep most of the physics described by the VK functional. We apply this formulation to the calculation of the time-dependent dipole moment of Ca, Mg and Na2. Our results show trends similar to what was previously observed in model systems or within linear response. In the non-linear domain, our results show that relaxation times do not decrease with increasing deposited excitation energy, which sets some limitations to the practical use of TDCDFT in such a domain of excitations.

  7. Halite depositional facies in a solar salt pond: A key to interpreting physical energy and water depth in ancient deposits

    SciTech Connect

    Handford, C.R. )

    1990-08-01

    Subaqueous deposits of aragonite, gypsum, and halite are accumulating in shallow solar salt ponds constructed in the Pekelmeer, a sea-level salina on Bonaire, Netherlands Antilles. Several halite facies are deposited in the crystallizer ponds in response to difference in water depth and wave energy. Cumulate halite, which originates as floating rafts, is present only along the protected, upwind margins of ponds where low-energy conditions foster their formation and preservation. Cornet crystals with peculiar mushroom- and mortarboard-shaped caps precipitate in centimetre-deep brine sheets within a couple of metres of the upwind or low-energy margins. Downwind from these margins, cornet and chevron halite precipitate on the pond floors in water depths ranging from a few centimetres to {approximately} 60 cm. Halite pisoids with radial-concentric structure are precipitated in the swash zone along downwind high-energy shorelines where they form pebbly beaches. This study suggests that primary halite facies are energy and/or depth dependent and that some primary features, if preserved in ancient halite deposits, can be used to infer physical energy conditions, subenvironments such as low- to high-energy shorelines, and extremely shallow water depths in ancient evaporite basins.

  8. Time-dependent density functional theory of high-intensity short-pulse laser irradiation on insulators

    NASA Astrophysics Data System (ADS)

    Sato, S. A.; Yabana, K.; Shinohara, Y.; Otobe, T.; Lee, K.-M.; Bertsch, G. F.

    2015-11-01

    We calculate the energy deposition by very short laser pulses in SiO2 (α -quartz) with a view to establishing systematics for predicting damage and nanoparticle production. The theoretical framework is time-dependent density functional theory, implemented by the real-time method in a multiscale representation. For the most realistic simulations we employ a meta-GGA Kohn-Sham potential similar to that of Becke and Johnson. We find that the deposited energy in the medium can be accurately modeled as a function of the local electromagnetic pulse fluence. The energy-deposition function can in turn be quite well fitted to the strong-field Keldysh formula for a range of intensities from below the melting threshold to well beyond the ablation threshold. We find reasonable agreement between the damage threshold and the energy required to melt the substrate. Also, the depth of the ablated crater at higher energies is fairly well reproduced assuming that the material ablated with the energy exceeds that required to convert it to an atomic fluid. However, the calculated ablation threshold is higher than experiment, suggesting a nonthermal mechanism for the surface ablation.

  9. Progress Report on Alloy 617 Time Dependent Allowables

    SciTech Connect

    Wright, Julie Knibloe

    2015-06-01

    Time dependent allowable stresses are required in the ASME Boiler and Pressure Vessel Code for design of components in the temperature range where time dependent deformation (i.e., creep) is expected to become significant. There are time dependent allowable stresses in Section IID of the Code for use in the non-nuclear construction codes, however, there are additional criteria that must be considered in developing time dependent allowables for nuclear components. These criteria are specified in Section III NH. St is defined as the lesser of three quantities: 100% of the average stress required to obtain a total (elastic, plastic, primary and secondary creep) strain of 1%; 67% of the minimum stress to cause rupture; and 80% of the minimum stress to cause the initiation of tertiary creep. The values are reported for a range of temperatures and for time increments up to 100,000 hours. These values are determined from uniaxial creep tests, which involve the elevated temperature application of a constant load which is relatively small, resulting in deformation over a long time period prior to rupture. The stress which is the minimum resulting from these criteria is the time dependent allowable stress St. In this report data from a large number of creep and creep-rupture tests on Alloy 617 are analyzed using the ASME Section III NH criteria. Data which are used in the analysis are from the ongoing DOE sponsored high temperature materials program, form Korea Atomic Energy Institute through the Generation IV VHTR Materials Program and historical data from previous HTR research and vendor data generated in developing the alloy. It is found that the tertiary creep criterion determines St at highest temperatures, while the stress to cause 1% total strain controls at low temperatures. The ASME Section III Working Group on Allowable Stress Criteria has recommended that the uncertainties associated with determining the onset of tertiary creep and the lack of significant

  10. TIME-DEPENDENT MODELS OF FLARES FROM SAGITTARIUS A*

    SciTech Connect

    Dodds-Eden, Katie; Genzel, Reinhard; Gillessen, Stefan; Eisenhauer, Frank; Sharma, Prateek; Quataert, Eliot; Porquet, Delphine

    2010-12-10

    The emission from Sgr A*, the supermassive black hole in the Galactic Center, shows order of magnitude variability ('flares') a few times a day that is particularly prominent in the near-infrared (NIR) and X-rays. We present a time-dependent model for these flares motivated by the hypothesis that dissipation of magnetic energy powers the flares. We show that episodic magnetic reconnection can occur near the last stable circular orbit in time-dependent magnetohydrodynamic simulations of black hole accretion-the timescales and energetics of these events are broadly consistent with the flares from Sgr A*. Motivated by these results, we present a spatially one-zone time-dependent model for the electron distribution function in flares, including energy loss due to synchrotron cooling and adiabatic expansion. Synchrotron emission from transiently accelerated particles can explain the NIR/X-ray light curves and spectra of a luminous flare observed on 2007 April 4. A significant decrease in the magnetic field strength during the flare (coincident with the electron acceleration) is required to explain the simultaneity and symmetry of the simultaneous light curves. Our models predict that the NIR and X-ray spectral indices are related by {Delta}{alpha} {approx_equal} 0.5 (where {nu}F{sub {nu}} {proportional_to} {nu}{sup {alpha}}) and that there is only modest variation in the spectral index during flares. We also explore implications of this model for longer wavelength (radio-submillimeter) emission seemingly associated with X-ray and NIR flares; we argue that a few hour decrease in the submillimeter emission is a more generic consequence of large-scale magnetic reconnection than delayed radio emission from adiabatic expansion.

  11. Time-Dependent Rate Phenomenon in Viruses

    PubMed Central

    Aiewsakun, Pakorn

    2016-01-01

    ABSTRACT Among the most fundamental questions in viral evolutionary biology are how fast viruses evolve and how evolutionary rates differ among viruses and fluctuate through time. Traditionally, viruses are loosely classed into two groups: slow-evolving DNA viruses and fast-evolving RNA viruses. As viral evolutionary rate estimates become more available, it appears that the rates are negatively correlated with the measurement timescales and that the boundary between the rates of DNA and RNA viruses might not be as clear as previously thought. In this study, we collected 396 viral evolutionary rate estimates across almost all viral genome types and replication strategies, and we examined their rate dynamics. We showed that the time-dependent rate phenomenon exists across multiple levels of viral taxonomy, from the Baltimore classification viral groups to genera. We also showed that, by taking the rate decay dynamics into account, a clear division between the rates of DNA and RNA viruses as well as reverse-transcribing viruses could be recovered. Surprisingly, despite large differences in their biology, our analyses suggested that the rate decay speed is independent of viral types and thus might be useful for better estimation of the evolutionary time scale of any virus. To illustrate this, we used our model to reestimate the evolutionary timescales of extant lentiviruses, which were previously suggested to be very young by standard phylogenetic analyses. Our analyses suggested that these viruses are millions of years old, in agreement with paleovirological evidence, and therefore, for the first time, reconciled molecular analyses of ancient and extant viruses. IMPORTANCE This work provides direct evidence that viral evolutionary rate estimates decay with their measurement timescales and that the rate decay speeds do not differ significantly among viruses despite the vast differences in their molecular features. After adjustment for the rate decay dynamics, the

  12. Auroral energy deposition rate, characteristic electron energy, and ionospheric parameters derived from Dynamics Explorer 1 images

    NASA Technical Reports Server (NTRS)

    Rees, M. H.; Lummerzheim, D.; Roble, R. G.; Winningham, J. D.; Craven, J. D.

    1988-01-01

    Auroral images obtained by the Spin Scan Auroral Imager (SAI) aboard the DE-1 satellite were used to derive auroral energy deposition rate, characteristic electron energy, and ionospheric parameters. The principles involved in the imaging technique and the physical mechanisms that underlie the relationship between the spectral images and the geophysical parameters are discussed together with the methodology for implementing such analyses. It is shown that images obtained with the SAI provide global parameters at 12-min temporal resolution; the spatial resolution is limited by the field of view of a pixel. The analysis of the 12-min images presented yielded a representation of ionospheric parameters that was better than can be obtained using empirical models based on local measurements averaged over long periods of time.

  13. Monte Carlo calculation of energy deposition in ionization chambers for tritium measurements

    NASA Astrophysics Data System (ADS)

    Zhilin, Chen; Shuming, Peng; Dan, Meng; Yuehong, He; Heyi, Wang

    2014-10-01

    Energy deposition in ionization chambers for tritium measurements has been theoretically studied using Monte Carlo code MCNP 5. The influence of many factors, including carrier gas, chamber size, wall materials and gas pressure, has been evaluated in the simulations. It is found that β rays emitted by tritium deposit much more energy into chambers flowing through with argon than with deuterium in them, as much as 2.7 times higher at pressure 100 Pa. As chamber size gets smaller, energy deposition decreases sharply. For an ionization chamber of 1 mL, β rays deposit less than 1% of their energy at pressure 100 Pa and only 84% even if gas pressure is as high as 100 kPa. It also indicates that gold plated ionization chamber results in the highest deposition ratio while aluminum one leads to the lowest. In addition, simulations were validated by comparison with experimental data. Results show that simulations agree well with experimental data.

  14. Biological characterization of low-energy ions with high-energy deposition on human cells.

    PubMed

    Saha, Janapriya; Wilson, Paul; Thieberger, Peter; Lowenstein, Derek; Wang, Minli; Cucinotta, Francis A

    2014-09-01

    During space travel, astronauts are exposed to cosmic radiation that is comprised of high-energy nuclear particles. Cancer patients are also exposed to high-energy nuclear particles when treated with proton and carbon beams. Nuclear interactions from high-energy particles traversing shielding materials and tissue produce low-energy (<10 MeV/n) secondary particles of high-LET that contribute significantly to overall radiation exposures. Track structure theories suggest that high charge and energy (HZE) particles and low-energy secondary ions of similar LET will have distinct biological effects for cellular and tissue damage endpoints. We investigated the biological effects of low-energy ions of high LET utilizing the Tandem Van de Graaff accelerator at the Brookhaven National Laboratory (BNL), and compared these to experiments with HZE particles, that mimic the space environment produced at NASA Space Radiation Laboratory (NSRL) at BNL. Immunostaining for DNA damage response proteins was carried out after irradiation with 5.6 MeV/n boron (LET 205 keV/μm), 5.3 MeV/n silicon (LET 1241 keV/μm), 600 MeV/n Fe (LET 180 keV/μm) and 77 MeV/n oxygen (LET 58 keV/μm) particles. Low-energy ions caused more persistent DNA damage response (DDR) protein foci in irradiated human fibroblasts and esophageal epithelial cells compared to HZE particles. More detailed studies comparing boron ions to Fe particles, showed that boron-ion radiation resulted in a stronger G2 delay compared to Fe-particle exposure, and boron ions also showed an early recruitment of Rad51 at double-strand break (DSB) sites, which suggests a preference of homologous recombination for DSB repair in low-energy albeit high-LET particles. Our experiments suggest that the very high-energy radiation deposition by low-energy ions, representative of galactic cosmic radiation and solar particle event secondary radiation, generates massive but localized DNA damage leading to delayed DSB repair, and distinct cellular

  15. Spin-orbit torque induced spike-timing dependent plasticity

    SciTech Connect

    Sengupta, Abhronil Al Azim, Zubair; Fong, Xuanyao; Roy, Kaushik

    2015-03-02

    Nanoelectronic devices that mimic the functionality of synapses are a crucial requirement for performing cortical simulations of the brain. In this work, we propose a ferromagnet-heavy metal heterostructure that employs spin-orbit torque to implement spike-timing dependent plasticity. The proposed device offers the advantage of decoupled spike transmission and programming current paths, thereby leading to reliable operation during online learning. Possible arrangement of such devices in a crosspoint architecture can pave the way for ultra-dense neural networks. Simulation studies indicate that the device has the potential of achieving pico-Joule level energy consumption (maximum 2 pJ per synaptic event) which is comparable to the energy consumption for synaptic events in biological synapses.

  16. Nuclear data processing for energy release and deposition calculations in the MC21 Monte Carlo code

    SciTech Connect

    Trumbull, T. H.

    2013-07-01

    With the recent emphasis in performing multiphysics calculations using Monte Carlo transport codes such as MC21, the need for accurate estimates of the energy deposition-and the subsequent heating - has increased. However, the availability and quality of data necessary to enable accurate neutron and photon energy deposition calculations can be an issue. A comprehensive method for handling the nuclear data required for energy deposition calculations in MC21 has been developed using the NDEX nuclear data processing system and leveraging the capabilities of NJOY. The method provides a collection of data to the MC21 Monte Carlo code supporting the computation of a wide variety of energy release and deposition tallies while also allowing calculations with different levels of fidelity to be performed. Detailed discussions on the usage of the various components of the energy release data are provided to demonstrate novel methods in borrowing photon production data, correcting for negative energy release quantities, and adjusting Q values when necessary to preserve energy balance. Since energy deposition within a reactor is a result of both neutron and photon interactions with materials, a discussion on the photon energy deposition data processing is also provided. (authors)

  17. Time-Dependent Neutron and Photon Dose-Field Analysis

    SciTech Connect

    Wooten, Hasani Omar

    2005-08-01

    A unique tool is developed that allows the user to model physical representations of complicated glovebox facilities in two dimensions and determine neutral-particle flux and ambient dose-equivalent fields throughout that geometry. The Pandemonium code, originally designed to determine flux and dose-rates only, is improved to include realistic glovebox geometries, time-dependent source and detector positions, time-dependent shielding thickness calculations, time-integrated doses, a representative criticality accident scenario based on time-dependent reactor kinetics, and more rigorous photon treatment. A primary benefit of this work has been an extensive analysis and improvement of the photon model that is not limited to the application described in this thesis. The photon model has been extended in energy range to 10 MeV to include photons from fission and new photon buildup factors have been included that account for the effects of photon buildup at slant-path thicknesses as a function of angle, where the mean free path thickness has been preserved. The overall system of codes is user-friendly and it is directly applicable to facilities such as the plutonium facility at Los Alamos National Laboratory, where high-intensity neutron and photon emitters are regularly used. The codes may be used to determine a priori doses for given work scenarios in an effort to supply dose information to process models which will in turn assist decision makers on ensuring as low as reasonably achievable (ALARA) compliance. In addition, coupling the computational results of these tools with the process model visualization tools will help to increase worker safety and radiological safety awareness.

  18. Time-dependent radiation dose estimations during interplanetary space flights

    NASA Astrophysics Data System (ADS)

    Dobynde, M. I.; Shprits, Y.; Drozdov, A.

    2015-12-01

    Time-dependent radiation dose estimations during interplanetary space flights 1,2Dobynde M.I., 2,3Drozdov A.Y., 2,4Shprits Y.Y.1Skolkovo institute of science and technology, Moscow, Russia 2University of California Los Angeles, Los Angeles, USA 3Lomonosov Moscow State University Skobeltsyn Institute of Nuclear Physics, Moscow, Russia4Massachusetts Institute of Technology, Cambridge, USASpace radiation is the main restriction for long-term interplanetary space missions. It induces degradation of external components and propagates inside providing damage to internal environment. Space radiation particles and induced secondary particle showers can lead to variety of damage to astronauts in short- and long- term perspective. Contribution of two main sources of space radiation- Sun and out-of-heliosphere space varies in time in opposite phase due to the solar activity state. Currently the only habituated mission is the international interplanetary station that flights on the low Earth orbit. Besides station shell astronauts are protected with the Earth magnetosphere- a natural shield that prevents significant damage for all humanity. Current progress in space exploration tends to lead humanity out of magnetosphere bounds. With the current study we make estimations of spacecraft parameters and astronauts damage for long-term interplanetary flights. Applying time dependent model of GCR spectra and data on SEP spectra we show the time dependence of the radiation in a human phantom inside the shielding capsule. We pay attention to the shielding capsule design, looking for an optimal geometry parameters and materials. Different types of particles affect differently on the human providing more or less harm to the tissues. Incident particles provide a large amount of secondary particles while propagating through the shielding capsule. We make an attempt to find an optimal combination of shielding capsule parameters, namely material and thickness, that will effectively decrease

  19. Nuclear inertia from the time dependent pairing equations

    NASA Astrophysics Data System (ADS)

    Mirea, M.

    2016-10-01

    In a dynamical system, the momenta of inertia and the effective masses are not adiabatic quantities, but are dynamical ones that depend on the dissipated energy accumulated during motion. However, these parameters are calculated for adiabatic nuclear systems, leaving no room for dissipated energy. In this work, a formalism is elaborated in order to derive simultaneously the nuclear momenta of inertia and the effective masses by taking into account the appearance of dissipated energy for large amplitude motion of the nuclear system. The expressions that define the inertia are obtained from the variational principle. The same principle manages the time dependent pairing equations, offering estimations of the averaged dissipation energy for large amplitude motions. The model is applied to 232Th fission. The fission barrier was calculated along the least action trajectory. The dissipation energy, effective mass and moment of inertia are determined for different values of the collective velocities. The dissipation increases with the internuclear velocity in binary disintegration processes and modifies the effective mass parameters. We observed that the inertia decreases as long as the collective velocity increases to some moderate values and begins to grow for larger collective velocities. So, a dependence between the cranking mass parameters and the intrinsic excitation energy is evidenced. In order to investigate the overall effect, the half-lives are predicted for adiabatic and dynamics simulations.

  20. Time-dependent onshore tsunami response

    USGS Publications Warehouse

    Apotsos, Alex; Gelfenbaum, Guy R.; Jaffe, Bruce E.

    2012-01-01

    While bulk measures of the onshore impact of a tsunami, including the maximum run-up elevation and inundation distance, are important for hazard planning, the temporal evolution of the onshore flow dynamics likely controls the extent of the onshore destruction and the erosion and deposition of sediment that occurs. However, the time-varying dynamics of actual tsunamis are even more difficult to measure in situ than the bulk parameters. Here, a numerical model based on the non-linear shallow water equations is used to examine the effects variations in the wave characteristics, bed slope, and bottom roughness have on the temporal evolution of the onshore flow. Model results indicate that the onshore flow dynamics vary significantly over the parameter space examined. For example, the flow dynamics over steep, smooth morphologies tend to be temporally symmetric, with similar magnitude velocities generated during the run-up and run-down phases of inundation. Conversely, on shallow, rough onshore topographies the flow dynamics tend to be temporally skewed toward the run-down phase of inundation, with the magnitude of the flow velocities during run-up and run-down being significantly different. Furthermore, for near-breaking tsunami waves inundating over steep topography, the flow velocity tends to accelerate almost instantaneously to a maximum and then decrease monotonically. Conversely, when very long waves inundate over shallow topography, the flow accelerates more slowly and can remain steady for a period of time before beginning to decelerate. These results indicate that a single set of assumptions concerning the onshore flow dynamics cannot be applied to all tsunamis, and site specific analyses may be required.

  1. Energy and momentum deposited into a QCD medium by a jet shower.

    PubMed

    Qin, G-Y; Majumder, A; Song, H; Heinz, U

    2009-10-09

    For a hard parton moving through a dense QCD medium, we compute self-consistently the energy loss and the fraction deposited into the medium due to showering and rescattering of the shower, assuming weak coupling between probe and medium. The same transport coefficients thus determine both the energy loss and its deposition into the medium. This allows a parameter free calculation of the latter once the former are computed or measured. We compute them for a weakly interacting medium. Assuming a short thermalization time for the deposited energy, we determine the medium's hydrodynamical response and obtain a conical pattern that is strongly enhanced by showering.

  2. Time dependent deformation of Kilauea Volcano, Hawaii

    NASA Astrophysics Data System (ADS)

    Montgomery-Brown, Emily Kvietka Desmarais

    to a decollement structure 8 km under the south flank, and the locations of the microearthquakes suggest that both occur on the same structure. In 2007, Episode 56 of the Pu'u 'O'o-Kupianaha eruption occurred. This episode was exciting both because it was the largest intrusion in the last decade, and because it occurred concurrently with a flank slow-slip event. The intrusion started on Father's day (June 17th), 2007 with increased seismicity and abrupt tilts at the summit and rift zones. Quasi-static models of the total deformation determined from GPS, tilt, and InSAR indicate that the intrusion occurred on two en echelon dike segments in the upper East Rift Zone along with deformation consistent with slow-slip in the same areas of previous events. The ˜ 2 m maximum opening occurred on the eastern segment near Makaopui crater. Unlike previous intrusions in 1997, 1999, and 2000, the dike model was not sufficient to explain deformation on the western flank. Additionally, a coastal tiltmeter installed in anticipation of a slow-slip event recorded tilts consistent with those observed during the 2005 slow-slip event. These observations led to the conclusion that a concurrent slow-slip event occurred. Geodetic models indicate a similar amount of decollement slip occurred as in previous slow-slip events. Sub-daily GPS positions were used to study the spatio-temporal distribution of the dike intrusion. The time-dependent intrusion model shows that the intrusion began on the western en echelon segment before jumping to the eastern segment, which accumulated the majority of the 2 m of opening. Sub-daily GPS positions limit the number of stations available since there are very few continuous stations north of the East Rift Zone, where coverage is critical for separating the intrusion from the slow-slip. However, an ENVISAT interferogram at 08:22 on June 18, 2007 provides additional spatial coverage of deformation up to that point. Combining this image with the GPS and tilt

  3. Time-Dependent CP Asymmetries in b {yields} s Penguins

    SciTech Connect

    Miyake, H.

    2006-07-11

    We present measurements of time-dependent CP asymmetry parameters in B{sup 0} {yields} {phi}(1020)K{sup 0}, {eta}'K{sup 0}, K{sub S}{sup 0}K{sub S}{sup 0}K{sub S}{sup 0} K{sub S}{sup 0}, K{sub S}{sup 0}{pi}{sup 0}, f{sub 0}(980)K{sub S}{sup 0}, {omega}(782)K{sub S}{sup 0} and K{sup +}K{sup -}K{sub S}{sup 0} decays based on a sample of 386 x 106BB(bar sign) pairs collected at the {upsilon}(4S) resonance with the Belle detector at the KEKB energy asymmetric e+e- collider. These decays are dominated by the b {yields} s gluonic penguin transition and are sensitive to new CP-violating phases from physics beyond the standard model. One neutral meson is fully reconstructed in one of the specified decay channels, and the flavor of the accompanying B meson is identified from its decay products. CP-violation parameters are obtained from the asymmetries in the distributions of the proper-time intervals between the two B decays. We also perform measurement of time-dependent CP asymmetry parameters in B{sup 0} {yields} K{sub S}{sup 0}{gamma} decay that is dominated by the b {yields} s radiative penguin.

  4. Time-dependent mixing in strongly stratified sheared turbulence

    NASA Astrophysics Data System (ADS)

    Caulfield, C. P.; Salehipour, Hesam; Peltier, W. R.

    2016-11-01

    We consider the time-dependent turbulent mixing of two flows with initial velocity U ̲ (z , 0)ex =U0ex tanh (z / d) and density ρ (z , 0) =ρr +ρ0 1 - tanh (z / δ) , with Re =U0 d / ν = 4000 , Pr = ν / κ = 8 , and Rib = gρ0 d /ρrU02 = 0 . 16 . When the length scale ratio R = d / δ = 1 , the flow is susceptible to a primary Kelvin-Helmholtz instability (KHI) which exhibits a rapid burst of turbulence, associated with an overturning of the relatively wide density interface, before entering a relatively rapid decay phase. Conversely, when R =√{ Pr } , the flow is susceptible to a primary Holmboe wave instability (HWI) which is much longer lived and 'scours' but does not disrupt the relatively sharp density interface. For both flows we see evidence of a kx- 5 / 3 power law in the streamwise turbulent kinetic energy spectrum for length scales larger than the Ozmidov scale l0 = (E /N3)1/2 where N2 = 2 Rib /Lz is the buoyancy frequency and E is the dissipation rate. However, the time-dependent evolution of the mixing efficiency η = M / (M + E) is markedly different, as shown by the time evolution of the two flows in Reb - η space, where Reb = E / νN2 .

  5. Time-dependent depolarization of aligned HD molecules.

    PubMed

    Bartlett, Nate C-M; Miller, Daniel J; Zare, Richard N; Alexander, Andrew J; Sofikitis, Dimitris; Rakitzis, T Peter

    2009-01-07

    An aligned sample of HD(v = 1, J = 2, M(J) = 0) molecules is prepared under collision-free conditions using the S(0) stimulated Raman pumping transition. Subsequent coupling to the spins of the deuteron I(D) and the proton I(H) causes the initial degree of alignment to oscillate and decrease as monitored over the time range from 0-13 mus via the O2 line of the [2 + 1] REMPI E,F(1)Sigma-X(1)Sigma (0,1) band. The time dependence of the rotational alignment is also calculated using both a hierarchical coupling scheme in which the rotational angular momentum J is regarded first to couple to I(D), and then the resultant F(i) to couple to I(H), to form the total angular momentum F and a non-hierarchical coupling scheme in which the HD energy level structure is not assumed to be diagonal in the |I(H)(JI(D))F(i)FM(F)> basis set. The experimental data is in good agreement with the non-hierarchical calculation but not with the hierarchical calculation, as expected for this system. Additionally, we calculate the time dependence of the H and D nuclear spin polarizations.

  6. Time-dependent behavior of passive skeletal muscle

    NASA Astrophysics Data System (ADS)

    Ahamed, T.; Rubin, M. B.; Trimmer, B. A.; Dorfmann, L.

    2016-03-01

    An isotropic three-dimensional nonlinear viscoelastic model is developed to simulate the time-dependent behavior of passive skeletal muscle. The development of the model is stimulated by experimental data that characterize the response during simple uniaxial stress cyclic loading and unloading. Of particular interest is the rate-dependent response, the recovery of muscle properties from the preconditioned to the unconditioned state and stress relaxation at constant stretch during loading and unloading. The model considers the material to be a composite of a nonlinear hyperelastic component in parallel with a nonlinear dissipative component. The strain energy and the corresponding stress measures are separated additively into hyperelastic and dissipative parts. In contrast to standard nonlinear inelastic models, here the dissipative component is modeled using an evolution equation that combines rate-independent and rate-dependent responses smoothly with no finite elastic range. Large deformation evolution equations for the distortional deformations in the elastic and in the dissipative component are presented. A robust, strongly objective numerical integration algorithm is used to model rate-dependent and rate-independent inelastic responses. The constitutive formulation is specialized to simulate the experimental data. The nonlinear viscoelastic model accurately represents the time-dependent passive response of skeletal muscle.

  7. Dark Energy Models with a Time-Dependent Gravitational Constant

    NASA Astrophysics Data System (ADS)

    Ray, Saibal; Mukhopadhyay, Utpal; Choudhury, S. B. Dutta

    Two phenomenological models of Λ, viz. Λ ˜ (˙ a/a)2 and Λ ˜ ḋ a/a, are studied under the assumption that G is a time-variable parameter. Both models show that G is inversely proportional to time, as suggested earlier by others, including Dirac. The models considered here can be matched with observational results by properly tuning the parameters of the models. Our analysis shows that the Λ ˜ ḋ a/a model corresponds to a repulsive situation and hence correlates with the present status of the accelerating Universe. The other model, Λ ˜ (˙ a/a)2, is in general attractive in nature. Moreover, it is seen that due to the combined effect of time-variable Λ and G the Universe evolved with acceleration as well as deceleration. Deceleration indicates a "big crunch".

  8. The calculation of proportional counter energy-deposition spectra from experimental data.

    NASA Technical Reports Server (NTRS)

    Steigerwalt, J. E.; Baily, N. A.

    1973-01-01

    The experimental approach considered requires the measurement of energy-absorption distributions for a set of pathlengths which define a biological volume. A suitable folding procedure is necessary to produce composite energy-absorption distributions. The investigation is concerned with the quality of the prediction of energy-deposition distributions, taking into account distributions measured with a proportional counter.

  9. Time-dependent Turbulence in Stars

    NASA Astrophysics Data System (ADS)

    Arnett, W. David; Meakin, Casey

    2011-08-01

    Three-dimensional (3D) hydrodynamic simulations of shell oxygen burning by Meakin & Arnett (2007b) exhibit bursty, recurrent fluctuations in turbulent kinetic energy. These are shown to be due to a global instability in the convective region, which has been suppressed in simulations of stellar evolution which use mixing-length theory (MLT). Quantitatively similar behavior occurs in the model of a convective roll (cell) of Lorenz (1963), which is known to have a strange attractor that gives rise to random fluctuations in time. An extension of the Lorenz model, which includes Kolmogorov damping and nuclear burning, is shown to exhibit bursty, recurrent fluctuations like those seen in the 3D simulations. A simple model of a convective layer (composed of multiple Lorenz cells) gives luminosity fluctuations which are suggestive of irregular variables (red giants and supergiants, see Schwarzschild (1975). Details and additional discussion may be found in Arnett & Meakin (2011). Apparent inconsistencies between Arnett, Meakin, & Young (2009) and Nordlund, Stein, & Asplund (2009) on the nature of convective driving have been resolved, and are discussed.

  10. The role of Energy Deposition in the Epitaxial Layer in Triggering SEGR in Power MOSFETs

    NASA Technical Reports Server (NTRS)

    Selva, L.; Swift, G.; Taylor, W.; Edmonds, L.

    1999-01-01

    In these SEGR experiments, three identical-oxide MOSFET types were irradiated with six ions of significantly different ranges. Results show the prime importance of the total energy deposited in the epitaxial layer.

  11. The role of Energy Deposition in the Epitaxial Layer in Triggering SEGR in Power MOSFETs

    NASA Technical Reports Server (NTRS)

    Selva, L.; Swift, G.; Taylor, W.; Edmonds, L.

    1999-01-01

    In these SEGR experiments, three identical-oxide MOSFET types were irradiated with six ions of significantly different ranges. Results show the prime importance of the total energy deposited in the epitaxial layer.

  12. Monte Carlo simulation and analysis of proton energy-deposition patterns in the Bragg peak

    NASA Astrophysics Data System (ADS)

    González-Muñoz, Gloria; Tilly, Nina; Fernández-Varea, José M.; Ahnesjö, Anders

    2008-06-01

    The spatial pattern of energy depositions is crucial for understanding the mechanisms that modify the relative biological effectiveness of different radiation qualities. In this paper, we present data on energy-deposition properties of mono-energetic protons (1-20 MeV) and their secondary electrons in liquid water. Proton-impact ionization was described by means of the Hansen-Kocbach-Stolterfoht doubly differential cross section (DDCS), thus modelling both the initial energy and angle of the emitted electron. Excitation by proton impact was included to account for the contribution of this interaction channel to the electronic stopping power of the projectile. Proton transport was implemented assuming track-segment conditions, whereas electrons were followed down to 50 eV by the Monte Carlo code PENELOPE. Electron intra-track energy-deposition properties, such as slowing-down and energy-imparted spectra of electrons, were calculated. Furthermore, the use of DDCSs enabled the scoring of electron inter-track properties. We present novel results for 1, 5 and 20 MeV single-proton-track frequencies of distances between the nearest inter- (e--e-, e--H+) and intra-track (e--e-, e--H+, H+-H+) energy-deposition events. By setting a threshold energy of 17.5 eV, commonly employed as a surrogate to discriminate for elementary damage in the DNA, the variation in these frequencies was studied as well. The energy deposited directly by the proton represents a large amount of the total energy deposited along the track, but when an energy threshold is adopted the relative contribution of the secondary electrons becomes larger for increasing energy of the projectile. We found that the frequencies of closest energy-deposition events per nanometre decrease with proton energy, i.e. for lower proton energies a denser ionization occurs, following the trend of the characteristic LET curves. In conclusion, considering the energy depositions due to the delta electrons and at the core of the

  13. Monte Carlo simulation and analysis of proton energy-deposition patterns in the Bragg peak.

    PubMed

    González-Muñoz, Gloria; Tilly, Nina; Fernández-Varea, José M; Ahnesjö, Anders

    2008-06-07

    The spatial pattern of energy depositions is crucial for understanding the mechanisms that modify the relative biological effectiveness of different radiation qualities. In this paper, we present data on energy-deposition properties of mono-energetic protons (1-20 MeV) and their secondary electrons in liquid water. Proton-impact ionization was described by means of the Hansen-Kocbach-Stolterfoht doubly differential cross section (DDCS), thus modelling both the initial energy and angle of the emitted electron. Excitation by proton impact was included to account for the contribution of this interaction channel to the electronic stopping power of the projectile. Proton transport was implemented assuming track-segment conditions, whereas electrons were followed down to 50 eV by the Monte Carlo code PENELOPE. Electron intra-track energy-deposition properties, such as slowing-down and energy-imparted spectra of electrons, were calculated. Furthermore, the use of DDCSs enabled the scoring of electron inter-track properties. We present novel results for 1, 5 and 20 MeV single-proton-track frequencies of distances between the nearest inter- (e(-)-e(-), e(-)-H+) and intra-track (e(-)-e(-), e(-)-H+, H+-H+) energy-deposition events. By setting a threshold energy of 17.5 eV, commonly employed as a surrogate to discriminate for elementary damage in the DNA, the variation in these frequencies was studied as well. The energy deposited directly by the proton represents a large amount of the total energy deposited along the track, but when an energy threshold is adopted the relative contribution of the secondary electrons becomes larger for increasing energy of the projectile. We found that the frequencies of closest energy-deposition events per nanometre decrease with proton energy, i.e. for lower proton energies a denser ionization occurs, following the trend of the characteristic LET curves. In conclusion, considering the energy depositions due to the delta electrons and at the

  14. Fermion Mass Renormalization Using Time-dependent Relativistic Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Kutnink, Timothy; Santrach, Amelia; Hocket, Sarah; Barcus, Scott; Petridis, Athanasios

    2015-10-01

    The time-dependent electromagnetically self-coupled Dirac equation is solved numerically by means of the staggered-leap-frog algorithm with refcecting boundary conditions. The stability region of the method versus the interaction strength and the spatial-grid size over time-step ratio is established. The expectation values of several dynamic operators are then evaluated as functions of time. These include the fermion and electromagnetic energies and the fermion dynamic mass, as the self-interacting spinors are no longer mass-eigenfunctions. There is a characteristic, non-exponential, oscillatory dependence leading to asymptotic constants of these expectation values. In the case of the fermion mass this amounts to renormalization. The dependence of the expectation values on the spatial-grid size is evaluated in detail. Statistical regularization is proposed to remove the grid-size dependence.

  15. Origin of the spike-timing-dependent plasticity rule

    NASA Astrophysics Data System (ADS)

    Cho, Myoung Won; Choi, M. Y.

    2016-08-01

    A biological synapse changes its efficacy depending on the difference between pre- and post-synaptic spike timings. Formulating spike-timing-dependent interactions in terms of the path integral, we establish a neural-network model, which makes it possible to predict relevant quantities rigorously by means of standard methods in statistical mechanics and field theory. In particular, the biological synaptic plasticity rule is shown to emerge as the optimal form for minimizing the free energy. It is further revealed that maximization of the entropy of neural activities gives rise to the competitive behavior of biological learning. This demonstrates that statistical mechanics helps to understand rigorously key characteristic behaviors of a neural network, thus providing the possibility of physics serving as a useful and relevant framework for probing life.

  16. Cosmological consequences of a time-dependent Λ term

    NASA Astrophysics Data System (ADS)

    Carvalho, J. C.; Lima, J. A. S.; Waga, I.

    1992-09-01

    The phenomenological approach to investigate the decay of the effective cosmological constant, as recently proposed by Chen and Wu, is generalized to include a term proportional to H2 on the time dependence of Λ, where H is the Hubble parameter. This new term can modify some features of the standard Friedmann-Robertson-Walker model and its free parameter may be adjusted in accordance with nucleosynthesis constraints. The model also allows a deceleration parameter q0 assuming negative values so that the density parameter Ω0 is smaller than 2/3 and the age of the Universe is always bigger than H-10. In these cases, the usual matter creation rate appearing in models with a decaying vacuum energy is smaller than the one present in the steady-state model.

  17. Subsystem real-time time dependent density functional theory.

    PubMed

    Krishtal, Alisa; Ceresoli, Davide; Pavanello, Michele

    2015-04-21

    We present the extension of Frozen Density Embedding (FDE) formulation of subsystem Density Functional Theory (DFT) to real-time Time Dependent Density Functional Theory (rt-TDDFT). FDE is a DFT-in-DFT embedding method that allows to partition a larger Kohn-Sham system into a set of smaller, coupled Kohn-Sham systems. Additional to the computational advantage, FDE provides physical insight into the properties of embedded systems and the coupling interactions between them. The extension to rt-TDDFT is done straightforwardly by evolving the Kohn-Sham subsystems in time simultaneously, while updating the embedding potential between the systems at every time step. Two main applications are presented: the explicit excitation energy transfer in real time between subsystems is demonstrated for the case of the Na4 cluster and the effect of the embedding on optical spectra of coupled chromophores. In particular, the importance of including the full dynamic response in the embedding potential is demonstrated.

  18. Subsystem real-time time dependent density functional theory

    NASA Astrophysics Data System (ADS)

    Krishtal, Alisa; Ceresoli, Davide; Pavanello, Michele

    2015-04-01

    We present the extension of Frozen Density Embedding (FDE) formulation of subsystem Density Functional Theory (DFT) to real-time Time Dependent Density Functional Theory (rt-TDDFT). FDE is a DFT-in-DFT embedding method that allows to partition a larger Kohn-Sham system into a set of smaller, coupled Kohn-Sham systems. Additional to the computational advantage, FDE provides physical insight into the properties of embedded systems and the coupling interactions between them. The extension to rt-TDDFT is done straightforwardly by evolving the Kohn-Sham subsystems in time simultaneously, while updating the embedding potential between the systems at every time step. Two main applications are presented: the explicit excitation energy transfer in real time between subsystems is demonstrated for the case of the Na4 cluster and the effect of the embedding on optical spectra of coupled chromophores. In particular, the importance of including the full dynamic response in the embedding potential is demonstrated.

  19. Time Dependent Hadronic Modeling of Flat Spectrum Radio Quasars

    NASA Astrophysics Data System (ADS)

    Diltz, C.; Böttcher, M.; Fossati, G.

    2015-04-01

    We introduce a new time-dependent lepto-hadronic model for blazar emission that takes into account the radiation emitted by secondary particles, such as pions and muons, from photo hadronic interactions. Starting from a baseline parameter set guided by a fit to the spectral energy distribution of the blazar 3C 279, we perform a parameter study to investigate the effects of perturbations of the input parameters to mimic different flaring events to study the resulting light curves in the optical, X-ray, high-energy (HE: E\\gt 100 MeV), and very-high-energy (E\\gt 100 GeV) γ-rays as well as the neutrino emission associated with charged-pion and muon decay. We find that flaring events from an increase in the efficiency of Fermi II acceleration will produce a positive correlation between all bandpasses and a marked plateau in the HE γ-ray lightcurve. We also predict a distinctive dip in the HE lightcurve for perturbations caused by a change in the proton injection spectral index. These plateaus/dips could be a tell tale signature of hadronic models for perturbations that lead to more efficient acceleration of high-energy protons in parameter regimes where pion and muon synchrotron emission is non-negligible.

  20. Energy deposition characteristics of nanosecond dielectric barrier discharge plasma actuators: Influence of dielectric material

    NASA Astrophysics Data System (ADS)

    Correale, G.; Winkel, R.; Kotsonis, M.

    2015-08-01

    An experimental study aimed at the characterization of energy deposition of nanosecond Dielectric Barrier Discharge (ns-DBD) plasma actuators was carried out. Special attention was given on the effect of the thickness and material used for dielectric barrier. The selected materials for this study were polyimide film (Kapton), polyamide based nylon (PA2200), and silicone rubber. Schlieren measurements were carried out in quiescent air conditions in order to observe density gradients induced by energy deposited. Size of heated area was used to qualify the energy deposition coupled with electrical power measurements performed using the back-current shunt technique. Additionally, light intensity measurements showed a different nature of discharge based upon the material used for barrier, for a fixed thickness and frequency of discharge. Finally, a characterisation study was performed for the three tested materials. Dielectric constant, volume resistivity, and thermal conductivity were measured. Strong trends between the control parameters and the energy deposited into the fluid during the discharge were observed. Results indicate that efficiency of energy deposition mechanism relative to the thickness of the barrier strongly depends upon the material used for the dielectric barrier itself. In general, a high dielectric strength and a low volumetric resistivity are preferred for a barrier, together with a high heat capacitance and a low thermal conductivity coefficient in order to maximize the efficiency of the thermal energy deposition induced by an ns-DBD plasma actuator.

  1. A fragment-cloud model for asteroid breakup and atmospheric energy deposition

    NASA Astrophysics Data System (ADS)

    Wheeler, Lorien F.; Register, Paul J.; Mathias, Donovan L.

    2017-10-01

    As asteroids break up during atmospheric entry, they deposit energy that can be seen in flares of light and, if substantial enough, can produce damaging blast waves. Analytic models of asteroid breakup and energy deposition processes are needed in order to assess potential airburst hazards, and to enable inferences about asteroid properties or breakup physics to be made from comparisons with observed meteors. This paper presents a fragment-cloud model (FCM) that is able to represent a broad range of breakup behaviors and the resulting variations in energy deposition in ways that make it a useful tool for both applications. Sensitivity studies are performed to investigate how variations the model's fragmentation parameters affect the energy deposition results for asteroids 20-500 m in diameter. The model is also used to match observational data from the Chelyabinsk meteor and infer potential asteroid properties and representative modeling parameter ranges. Results illustrate how the model's fragmentation parameters can introduce different energy deposition features, and how much they affect the overall energy deposition rates, magnitudes, and altitudes that would drive ground damage for risk assessment applications.

  2. Fluorocarbon thin-film deposition on polymer surfaces from low-energy polyatomic ion beams

    NASA Astrophysics Data System (ADS)

    Wijesundara, Muthu Bandage Jayathilaka

    Low energy polyatomic ion deposition is attractive for selective surface modification of advanced materials. Surface modification by fluorocarbon (FC) thin film deposition is widely used for many technological applications. Thus, polymer surface modification by FC thin film deposition was carried out using mass-separated low energy FC ion beams. X-ray photoelectron spectroscopy, atomic force microscopy and air/water contact angles were employed to examine how the FC film chemistry, morphology, and long term stability depend on incident ion structure, kinetic energy, and fluence. Molecular dynamics simulations were performed to support experimental data. 25--100 eV CF3+ and C3F 5+ ion deposition on polystyrene (PS) surface was examined. CF3+ and C3F5+ each formed a distribution of different FC functional groups on PS in amounts dependent upon the incident ion energy, structure, and fluence. Both ions deposited mostly intact upon the surface at 25 eV. The total fluorine and fluorinated carbon content were increased with ion energy. The fluorination efficiency was higher for the larger ion. The simulations revealed that the fragmentation behavior depends on the incident ion structure and its energy. The simulations also confirmed that FC ions only penetrated a few angstroms into the surface. The compositional changes of 25--100 eV CF3+ and C3F5+ ion-modified PS surfaces were examined after being exposed to atmosphere for four and eight weeks. The FC films oxidized in atmospheric conditions. Oxygen incorporation into the ion-modified surfaces increased with ion energy due to higher surface bond breakage and active site formation at high collision energy. Overall, the aging process of these ion-deposited films appeared similar to that of plasma-deposited films. Mass-selected 50 eV C3F5+ ion deposition was employed to create chemical gradient thin films on polymethylmethacrylate (PMMA) by variation of the ion fluence across the substrate surface. The surface chemistry

  3. Stabilizing laser energy density on a target during pulsed laser deposition of thin films

    DOEpatents

    Dowden, Paul C.; Jia, Quanxi

    2016-05-31

    A process for stabilizing laser energy density on a target surface during pulsed laser deposition of thin films controls the focused laser spot on the target. The process involves imaging an image-aperture positioned in the beamline. This eliminates changes in the beam dimensions of the laser. A continuously variable attenuator located in between the output of the laser and the imaged image-aperture adjusts the energy to a desired level by running the laser in a "constant voltage" mode. The process provides reproducibility and controllability for deposition of electronic thin films by pulsed laser deposition.

  4. Engineering Properties of Superhard Films with Ion Energy and Post-Deposition Processing

    SciTech Connect

    Monteiro, Othon R.; Delplancke-Ogletree, Marie-Paule

    2003-08-26

    Recent developments in plasma synthesis of hard materials using energetic ions are described. Metal Plasma Immersion Ion Implantation and Deposition (MePIIID) has been used to prepare several hard films: from diamondlike carbon (DLC) to carbides, from nitrides to oxides. The energy of the depositing species is controlled to maximize adhesion as well as to change the physical and chemical properties of the films. Adhesion is promoted by the creation of a graded interface between the film and the substrate. The energy of the depositing ions is also used to modify and control the intrinsic stresses and the microstructure of the films. The deposition is carried out at room temperature, which is important for temperature sensitive substrates. A correlation between intrinsic stresses and the energetics of the deposition is presented for the case of DLC films, and means to reduce stress levels are discussed.

  5. Engineering properties of superhard films with ion energy and post-deposition processing

    SciTech Connect

    Monteiro, Othon R.; Delplancke-Ogletree, Mari-Paule

    2002-10-14

    Recent developments in plasma synthesis of hard materials using energetic ions are described. Metal Plasma Immersion Ion Implantation and Deposition (MePIIID) has been used to prepare several hard films: from diamondlike carbon (DLC) to carbides, from nitrides to oxides. The energy of the depositing species is controlled to maximize adhesion as well as to change the physical and chemical properties of the films. Adhesion is promoted by the creation of a graded interface between the film and the substrate. The energy of the depositing ions is also used to modify and control the intrinsic stresses and the microstructure of the films. The deposition is carried out at room temperature, which is important for temperature sensitive substrates. A correlation between intrinsic stresses and the energetics of the deposition is presented for the case of DLC films, and means to reduce stress levels are discussed.

  6. Self-Consistent and Time-Dependent Solar Wind Models

    NASA Technical Reports Server (NTRS)

    Ong, K. K.; Musielak, Z. E.; Rosner, R.; Suess, S. T.; Sulkanen, M. E.

    1997-01-01

    We describe the first results from a self-consistent study of Alfven waves for the time-dependent, single-fluid magnetohydrodynamic (MHD) solar wind equations, using a modified version of the ZEUS MHD code. The wind models we examine are radially symmetrical and magnetized; the initial outflow is described by the standard Parker wind solution. Our study focuses on the effects of Alfven waves on the outflow and is based on solving the full set of the ideal nonlinear MHD equations. In contrast to previous studies, no assumptions regarding wave linearity, wave damping, and wave-flow interaction are made; thus, the models naturally account for the back-reaction of the wind on the waves, as well as for the nonlinear interaction between different types of MHD waves. Our results clearly demonstrate when momentum deposition by Alfven waves in the solar wind can be sufficient to explain the origin of fast streams in solar coronal holes; we discuss the range of wave amplitudes required to obtained such fast stream solutions.

  7. Mixed quantum-classical dynamics with time-dependent external fields: A time-dependent density-functional-theory approach

    NASA Astrophysics Data System (ADS)

    Tavernelli, Ivano; Curchod, Basile F. E.; Rothlisberger, Ursula

    2010-05-01

    A mixed quantum-classical method aimed at the study of nonadiabatic dynamics in the presence of external electromagnetic fields is developed within the framework of time-dependent density functional theory. To this end, we use a trajectory-based description of the quantum nature of the nuclear degrees of freedom according to Tully’s fewest switches trajectories surface hopping, where both the nonadiabatic coupling elements between the different potential energy surfaces, and the coupling with the external field are given as functionals of the ground-state electron density or, equivalently, of the corresponding Kohn-Sham orbitals. The method is applied to the study of the photodissociation dynamics of some simple molecules in gas phase.

  8. Cumulative beam breakup in linear accelerators with time-dependent parameters

    SciTech Connect

    Jean Delayen

    2004-10-01

    A formalism presented in a previous paper for the analysis of cumulative beam breakup (BBU) with arbitrary time dependence of the beam current and with misalignment of the cavities and focusing elements [J. R. Delayen, Phys. Rev. ST Accel. Beams 6, 084402 (2003)] is extended to include time dependence of the focusing and coupling between the beam and the dipole modes. Such time dependence, which could result from an energy chirp imposed on the beam or from rf focusing, is known to be effective in reducing BBU-induced instabilities and emittance growth. The analytical results are presented and applied to practical accelerator configurations and compared to numerical simulations.

  9. Time-dependent radiation hazard estimations during space flights

    NASA Astrophysics Data System (ADS)

    Dobynde, Mikhail; Shprits, Yuri; Drozdov, Alexander

    Cosmic particle radiation is a limiting factor for the out of magnetosphere crewed flights. The cosmic radiation uncrewed flights inside heliosphere and crewed flights inside of magnetosphere tend to become a routine procedure, whereas there have been only few shot time flights out of it (Apollo missions 1969-1972) with maximum duration less than a month. Long term crewed missions set much higher requirements to the radiation shielding, primarily because of long exposition term. Inside the helosphere there are two main sources of cosmic radiation: galactic cosmic rays (GCR) and coronal mass ejections (CME). GCR come from the outside of heliosphere forming a background of overall radiation that affects the spacecraft. The intensity of GCR is varied according to solar activity, increasing with solar activity decrease and backward, with the modulation time (time between nearest maxima) of 11 yeas. CME are shot term events, comparing to GCR modulation time, but are much more energetic. The probability of CME increases with the increase of solar activity. Time dependences of the intensity of these two components encourage looking for a time window of flight, when intensity and affection of CME and GCR would be minimized. Applying time dependent models of GCR spectra [1] and estimations of CME we show the time dependence of the radiation dose in a realistic human phantom [2] inside the shielding capsule. We pay attention to the shielding capsule design, looking for an optimal geometry parameters and materials. Different types of particles affect differently on the human providing more or less harm to the tissues. Incident particles provide a large amount of secondary particles while propagating through the shielding capsule. We make an attempt to find an optimal combination of shielding capsule parameters, namely material and thickness, that will effectively decrease the incident particle energy, at the same time minimizing flow of secondary induced particles and

  10. Energy deposition at the bone-tissue interface from nuclear fragments produced by high-energy nucleons

    NASA Technical Reports Server (NTRS)

    Cucinotta, Francis A.; Hajnal, Ferenc; Wilson, John W.

    1990-01-01

    The transport of nuclear fragmentation recoils produced by high-energy nucleons in the region of the bone-tissue interface is considered. Results for the different flux and absorbed dose for recoils produced by 1 GeV protons are presented in a bidirectional transport model. The energy deposition in marrow cavities is seen to be enhanced by recoils produced in bone. Approximate analytic formulae for absorbed dose near the interface region are also presented for a simplified range-energy model.

  11. Energy deposition at the bone-tissue interface from nuclear fragments produced by high-energy nucleons

    NASA Technical Reports Server (NTRS)

    Cucinotta, Francis A.; Hajnal, Ferenc; Wilson, John W.

    1990-01-01

    The transport of nuclear fragmentation recoils produced by high-energy nucleons in the region of the bone-tissue interface is considered. Results for the different flux and absorbed dose for recoils produced by 1 GeV protons are presented in a bidirectional transport model. The energy deposition in marrow cavities is seen to be enhanced by recoils produced in bone. Approximate analytic formulae for absorbed dose near the interface region are also presented for a simplified range-energy model.

  12. Time-Dependent Rock Failure in a Heterogeneous Limestone

    NASA Astrophysics Data System (ADS)

    Roth, K.; Kemeny, J.

    2015-12-01

    Time-dependent rock failure is an important aspect in the analysis of long-term rock stability for slopes, dam and bridge foundations, and underground storage facilities. An on-going project at the University of Arizona is using Kartchner Caverns in Benson, Arizona as a natural analog to study such failure by reconstructing the process of natural cave breakdown with subcritical crack growth modeling. Breakdown is thought to occur along joints through the time-dependent failure of rock bridges: sections of intact rock separating discontinuities in a rock mass. The Escabrosa limestone composing the caverns ranges from a more homogenous, even-grained texture to a more heterogeneous texture consisting of coarse-grained veins and solution cavities set in a fine-grained matrix. To determine if the veined regions are more susceptible to fracturing and act as the nuclei of rock bridge failure, fracture toughness tests were conducted for both textures. The subcritical crack growth parameters were calculated using the constant stress-rate method. Results indicate that the more heterogeneous limestone has a higher fracture strength, fracture toughness, and subcritical crack growth index n than the more homogeneous limestone. This is in agreement with previous studies which found that a more complex and heterogeneous microstructure produces a larger microcrack process zone, leading to higher fracture energies and lower susceptibility to subcritical crack growth. Thus, despite their solution cavities, the calcite veins do not localize failure or act as planes of weakness; instead, rock bridges fail through the more homogeneous limestone matrix.

  13. Measuring internal energy deposition in collisional activation using hydrated ion nanocalorimetry to obtain peptide dissociation energies and entropies.

    PubMed

    Demireva, Maria; Williams, Evan R

    2010-07-01

    The internal energy deposited in both on- and off-resonance collisional activation in Fourier transform ion cyclotron resonance mass spectrometry is measured with ion nanocalorimetry and is used to obtain information about the dissociation energy and entropy of a protonated peptide. Activation of Na(+)(H(2)O)(30) results in sequential loss of water molecules, and the internal energy of the activated ion can be obtained from the abundances of the product ions. Information about internal energy deposition in on-resonance collisional activation of protonated peptides is inferred from dissociation data obtained under identical conditions for hydrated ions that have similar m/z and degrees-of-freedom. From experimental internal energy deposition curves and Rice-Ramsperger-Kassel-Marcus (RRKM) theory, dissociation data as a function of collision energy for protonated leucine enkephalin, which has a comparable m/z and degrees-of-freedom as Na(+)(H(2)O)(30), are modeled. The threshold dissociation energies and entropies are correlated for data acquired at a single time point, resulting in a relatively wide range of threshold dissociation energies (1.1 to 1.7 eV) that can fit these data. However, this range of values could be significantly reduced by fitting data acquired at different dissociation times. By measuring the internal energy of an activated ion, the number of fitting parameters necessary to obtain information about the dissociation parameters by modeling these data is reduced and could result in improved accuracy for such methods.

  14. Structure and evolution of time-dependent intermediate shocks

    NASA Technical Reports Server (NTRS)

    Wu, C. C.; Kennel, C. F.

    1992-01-01

    A quantitative description of time-dependent intermediate shocks is formulated using the Cohen-Kulsrud-Burgers equations. In noncoplanar Riemann problems, time-dependent two-three transition intermediate shocks evolve in time as a localized self-similar structure whose strength decreases as 1/the square root of t, and whose width expands as the square root of t. Time-dependent intermediate shocks offer a way of solving the noncoplanar MHD Riemann problem.

  15. Efficient Energy Deposition for an Electron Beam Pumped KrF Laser

    NASA Astrophysics Data System (ADS)

    Hegeler, F.; Myers, M. C.; Friedman, M.; Sethian, J. D.; Swanekamp, S. B.; Rose, D. V.; Welch, D. R.

    2002-11-01

    Electra is a repetitively pulsed, electron beam pumped krypton fluoride (KrF) laser that will develop the technologies that can meet the Inertial Fusion Energy (IFE) requirements for durability, efficiency, and cost. The Electra laser is pumped with two opposing electron beams each with parameters of 500 kV, 90 kA, with a 100 ns flat-top pulse duration, and a cathode area of 27 x 97 cm^2. The e-beam propagates through a hibachi structure, which supports a thin foil that isolates the vacuum diode from the high-pressure (>1 atm) laser gas. It has been demonstrated that segmenting the beam into strips to miss the hibachi support ribs significantly increases the electron beam deposition efficiency. The energy deposition efficiency is defined as the ratio of energy deposited in the laser gas over the vacuum diode e-beam energy. Energy deposition efficiencies of 75have been achieved with a 500 keV e-beam. In addition, 1-D and 3-D codes have simulated the e-beam propagation through the hibachi, and 1-D codes predict a maximum energy deposition efficiency of 81

  16. Mechanisms of ignition by transient energy deposition: Regimes of combustion wave propagation

    NASA Astrophysics Data System (ADS)

    Kiverin, A. D.; Kassoy, D. R.; Ivanov, M. F.; Liberman, M. A.

    2013-03-01

    Regimes of chemical reaction wave propagating in reactive gaseous mixtures, whose chemistry is governed by chain-branching kinetics, are studied depending on the characteristics of a transient thermal energy deposition localized in a finite volume of reactive gas. Different regimes of the reaction wave propagation are initiated depending on the amount of deposited thermal energy, power of the source, and the size of the hot spot. The main parameters which define regimes of the combustion waves facilitated by the transient deposition of thermal energy are acoustic time scale, duration of the energy deposition, ignition time scale, and size of the hot spot. The interplay between these parameters specifies the role of gasdynamical processes, the formation and steepness of the temperature gradient, and speed of the spontaneous wave. The obtained results show how ignition of one or another combustion regime depends on the value of energy, rate of the energy deposition, and size of the hot spot, which is important for the practical use and for risk assessment.

  17. Energy deposition dynamics of femtosecond pulses in water

    SciTech Connect

    Minardi, Stefano Pertsch, Thomas; Milián, Carles; Couairon, Arnaud; Majus, Donatas; Tamošauskas, Gintaras; Dubietis, Audrius; Gopal, Amrutha

    2014-12-01

    We exploit inverse Raman scattering and solvated electron absorption to perform a quantitative characterization of the energy loss and ionization dynamics in water with tightly focused near-infrared femtosecond pulses. A comparison between experimental data and numerical simulations suggests that the ionization energy of water is 8 eV, rather than the commonly used value of 6.5 eV. We also introduce an equation for the Raman gain valid for ultra-short pulses that validates our experimental procedure.

  18. Quantitation of absorbed or deposited materials on a substrate that measures energy deposition

    DOEpatents

    Grant, Patrick G.; Bakajin, Olgica; Vogel, John S.; Bench, Graham

    2005-01-18

    This invention provides a system and method for measuring an energy differential that correlates to quantitative measurement of an amount mass of an applied localized material. Such a system and method remains compatible with other methods of analysis, such as, for example, quantitating the elemental or isotopic content, identifying the material, or using the material in biochemical analysis.

  19. On the Total Energy Deposition Between Periodically Occurring Activations of the Aurora

    NASA Technical Reports Server (NTRS)

    Spann, James F., Jr.; Germany, G. A.; Parks, G. K.; Brittnacher, M. J.; Winglee, R. W.

    1998-01-01

    Total energy deposition in the northern latitudes is used in models to determine the state of the magnetosphere. It is known that on occasion, a series of intensifications of the aurora occur that are regularly spaced. The energy profile of the total energy deposited reflects this occurance. What can be said of the state of the magnetosphere based on these profiles. We present the result of a study which looks at several of these periods when a series of intensifications occur. Conclusions as to what the magnetosphere may be doing are presented.

  20. On the role of energy deposition in triggering SEGR in power MOSFETs

    SciTech Connect

    Selva, L.E.; Swift, G.M.; Taylor, W.A.; Edmonds, L.D.

    1999-12-01

    Single event gate rupture (SEGR) was studied using three types of power MOSFET devices with ions having incident linear energy transfers (LETs) in silicon from 26 to 82 MeV{center{underscore}dot}cm{sup 2}/mg. Results are: (1) consistent with Wrobel's oxide breakdown for V{sub DS} = 0 volts (for both normal incidence and angle); and (2) when V{sub GS} = 0 volts, energy deposited near the Si/SiO{sub 2} interface is more important than the energy deposited deeper in the epi.

  1. Global Auroral Energy Deposition during Substorm Onset Compared with Local Time and Solar Wind IMF Conditions

    NASA Technical Reports Server (NTRS)

    Spann, J. F.; Brittnacher, M.; Fillingim, M. O.; Germany, G. A.; Parks, G. K.

    1998-01-01

    The global images made by the Ultraviolet Imager (UVI) aboard the IASTP/Polar Satellite are used to derive the global auroral energy deposited in the ionosphere resulting from electron precipitation. During a substorm onset, the energy deposited and its location in local time are compared to the solar wind IMF conditions. Previously, insitu measurements of low orbiting satellites have made precipitating particle measurements along the spacecraft track and global images of the auroral zone, without the ability to quantify energy parameters, have been available. However, usage of the high temporal, spatial, and spectral resolution of consecutive UVI images enables quantitative measurement of the energy deposited in the ionosphere not previously available on a global scale. Data over an extended period beginning in January 1997 will be presented.

  2. Global Auroral Energy Deposition during Substorm Onset Compared with Local Time and Solar Wind IMF Conditions

    NASA Technical Reports Server (NTRS)

    Spann, J. F.; Brittnacher, M.; Fillingim, M. O.; Germany, G. A.; Parks, G. K.

    1998-01-01

    The global images made by the Ultraviolet Imager (UVI) aboard the IASTP/Polar Satellite are used to derive the global auroral energy deposited in the ionosphere resulting from electron precipitation. During a substorm onset, the energy deposited and its location in local time are compared to the solar wind IMF conditions. Previously, insitu measurements of low orbiting satellites have made precipitating particle measurements along the spacecraft track and global images of the auroral zone, without the ability to quantify energy parameters, have been available. However, usage of the high temporal, spatial, and spectral resolution of consecutive UVI images enables quantitative measurement of the energy deposited in the ionosphere not previously available on a global scale. Data over an extended period beginning in January 1997 will be presented.

  3. Numerical laser energy deposition on supersonic cavity flow and sensor placement strategies to control the flow.

    PubMed

    Yilmaz, Ibrahim; Aradag, Selin

    2013-01-01

    In this study, the impact of laser energy deposition on pressure oscillations and relative sound pressure levels (SPL) in an open supersonic cavity flow is investigated. Laser energy with a magnitude of 100 mJ is deposited on the flow just above the cavity leading edge and up to 7 dB of reduction is obtained in the SPL values along the cavity back wall. Additionally, proper orthogonal decomposition (POD) method is applied to the x-velocity data obtained as a result of computational fluid dynamics simulations of the flow with laser energy deposition. Laser is numerically modeled using a spherically symmetric temperature distribution. By using the POD results, the effects of laser energy on the flow mechanism are presented. A one-dimensional POD methodology is applied to the surface pressure data to obtain critical locations for the placement of sensors for real time flow control applications.

  4. Time-dependent simulations of disk-embedded planetary atmospheres

    NASA Astrophysics Data System (ADS)

    Stökl, A.; Dorfi, E. A.

    2014-03-01

    At the early stages of evolution of planetary systems, young Earth-like planets still embedded in the protoplanetary disk accumulate disk gas gravitationally into planetary atmospheres. The established way to study such atmospheres are hydrostatic models, even though in many cases the assumption of stationarity is unlikely to be fulfilled. Furthermore, such models rely on the specification of a planetary luminosity, attributed to a continuous, highly uncertain accretion of planetesimals onto the surface of the solid core. We present for the first time time-dependent, dynamic simulations of the accretion of nebula gas into an atmosphere around a proto-planet and the evolution of such embedded atmospheres while integrating the thermal energy budget of the solid core. The spherical symmetric models computed with the TAPIR-Code (short for The adaptive, implicit RHD-Code) range from the surface of the rocky core up to the Hill radius where the surrounding protoplanetary disk provides the boundary conditions. The TAPIR-Code includes the hydrodynamics equations, gray radiative transport and convective energy transport. The results indicate that diskembedded planetary atmospheres evolve along comparatively simple outlines and in particular settle, dependent on the mass of the solid core, at characteristic surface temperatures and planetary luminosities, quite independent on numerical parameters and initial conditions. For sufficiently massive cores, this evolution ultimately also leads to runaway accretion and the formation of a gas planet.

  5. Time-dependent density-functional description of nuclear dynamics

    NASA Astrophysics Data System (ADS)

    Nakatsukasa, Takashi; Matsuyanagi, Kenichi; Matsuo, Masayuki; Yabana, Kazuhiro

    2016-10-01

    The basic concepts and recent developments in the time-dependent density-functional theory (TDDFT) for describing nuclear dynamics at low energy are presented. The symmetry breaking is inherent in nuclear energy density functionals, which provides a practical description of important correlations at the ground state. Properties of elementary modes of excitation are strongly influenced by the symmetry breaking and can be studied with TDDFT. In particular, a number of recent developments in the linear response calculation have demonstrated their usefulness in the description of collective modes of excitation in nuclei. Unrestricted real-time calculations have also become available in recent years, with new developments for quantitative description of nuclear collision phenomena. There are, however, limitations in the real-time approach; for instance, it cannot describe the many-body quantum tunneling. Thus, the quantum fluctuations associated with slow collective motions are explicitly treated assuming that time evolution of densities is determined by a few collective coordinates and momenta. The concept of collective submanifold is introduced in the phase space associated with the TDDFT and used to quantize the collective dynamics. Selected applications are presented to demonstrate the usefulness and quality of the new approaches. Finally, conceptual differences between nuclear and electronic TDDFT are discussed, with some recent applications to studies of electron dynamics in the linear response and under a strong laser field.

  6. Time-dependent density functional theory of extreme environments

    NASA Astrophysics Data System (ADS)

    Shulenburger, Luke; Desjarlais, Michael; Magyar, Rudolph

    2013-04-01

    We describe the challenges involved when using time-dependent density functional theory (TDDFT) to describe warm dense matter (WDM) within a plane-wave, real-time formulation. WDM occurs under conditions of temperature and pressure (over 1000 K and 1 Mbar) where plasma physics meets condensed matter physics. TDDFT is especially important in this regime as it can describe ions and electrons strongly out of equilibrium. Several theoretical challenges must be overcome including assignment of initial state orbitals, choice of time-propogation scheme, treatment of PAW potentials, and inclusion of non-adiabatic effects in the potential energy surfaces. The results of these simulations are critical in several applications. For example, we will explain how the TDDFT calculation can resolve modeling inconsistencies in X-ray Thompson cross-sections, thereby improving an important temperature diagnostic in experiments. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  7. Calculation of energy deposition, photon and neutron production in proton therapy of thyroid gland using MCNPX.

    PubMed

    Mowlavi, Ali Asghar; Fornasie, Maria Rosa; de Denaro, Mario

    2011-01-01

    In this study, the MCNPX code has been used to simulate a proton therapy in thyroid gland, in order to calculate the proton energy deposition in the target region. As well as, we have calculated the photon and neutron production spectra due to proton interactions with the tissue. We have considered all the layers of tissue, from the skin to the thyroid gland, and an incident high energy pencil proton beam. The results of the simulation show that the best proton energy interval, to cover completely the thyroid tissue, is from 42 to 54 MeV, assuming that the thyroid gland has a 14 mm thickness and is located 11.2mm under the skin surface. The most percentage of deposited energy (78%) is related to the 54 MeV proton energy beam. Total photon and neutron production are linear and polynomial second order functions of the proton energy, respectively.

  8. Photon Energy Deposition in Strong-Field Single Ionization of Multielectron Molecules.

    PubMed

    Zhang, Wenbin; Li, Zhichao; Lu, Peifen; Gong, Xiaochun; Song, Qiying; Ji, Qinying; Lin, Kang; Ma, Junyang; He, Feng; Zeng, Heping; Wu, Jian

    2016-09-02

    Molecules exposed to strong laser fields may coherently absorb multiple photons and deposit the energy into electrons and nuclei, triggering the succeeding dynamics as the primary stage of the light-molecule interaction. We experimentally explore the electron-nuclear sharing of the absorbed photon energy in above-threshold multiphoton single ionization of multielectron molecules. Using CO as a prototype, vibrational and orbital resolved electron-nuclear sharing of the photon energy is observed. Different from the simplest one- or two-electron systems, the participation of the multiple orbitals and the coupling of various electronic states in the strong-field ionization and dissociation processes alter the photon energy deposition dynamics of the multielectron molecule. The population of numerous vibrational states of the molecular cation as the energy reservoir in the ionization process plays an important role in photon energy sharing between the emitted electron and the nuclear fragments.

  9. Optimal algorithm to improve the calculation accuracy of energy deposition for betavoltaic MEMS batteries design

    NASA Astrophysics Data System (ADS)

    Li, Sui-xian; Chen, Haiyang; Sun, Min; Cheng, Zaijun

    2009-11-01

    Aimed at improving the calculation accuracy when calculating the energy deposition of electrons traveling in solids, a method we call optimal subdivision number searching algorithm is proposed. When treating the energy deposition of electrons traveling in solids, large calculation errors are found, we are conscious of that it is the result of dividing and summing when calculating the integral. Based on the results of former research, we propose a further subdividing and summing method. For β particles with the energy in the entire spectrum span, the energy data is set only to be the integral multiple of keV, and the subdivision number is set to be from 1 to 30, then the energy deposition calculation error collections are obtained. Searching for the minimum error in the collections, we can obtain the corresponding energy and subdivision number pairs, as well as the optimal subdivision number. The method is carried out in four kinds of solid materials, Al, Si, Ni and Au to calculate energy deposition. The result shows that the calculation error is reduced by one order with the improved algorithm.

  10. Relationship between energy deposition and shock wave phenomenon in an underwater electrical wire explosion

    NASA Astrophysics Data System (ADS)

    Han, Ruoyu; Zhou, Haibin; Wu, Jiawei; Qiu, Aici; Ding, Weidong; Zhang, Yongmin

    2017-09-01

    An experimental study of pressure waves generated by an exploding copper wire in a water medium is performed. We examined the effects of energy deposited at different stages on the characteristics of the resulting shock waves. In the experiments, a microsecond time-scale pulsed current source was used to explode a 300-μm-diameter, 4-cm-long copper wire with initial stored energies ranging from 500 to 2700 J. Our experimental results indicated that the peak pressure (4.5-8.1 MPa) and energy (49-287 J) of the shock waves did not follow a simple relationship with any electrical parameters, such as peak voltage or deposited energy. Conversely, the impulse had a quasi-linear relationship with the parameter Π. We also found that the peak pressure was mainly influenced by the energy deposited before separation of the shock wave front and the discharge plasma channel (DPC). The decay time constant of the pressure waveform was affected by the energy injection after the separation. These phenomena clearly demonstrated that the deposited energy influenced the expansion of the DPC and affected the shock wave characteristics.

  11. Effect of Low-Energy Ions on Plasma-Enhanced Deposition of Cubic Boron Nitride

    NASA Astrophysics Data System (ADS)

    Torigoe, M.; Fukui, S.; Teii, K.; Matsumoto, S.

    2015-09-01

    The effect of low-energy ions on deposition of cubic boron nitride (cBN) films in an inductively coupled plasma with the chemistry of fluorine is studied in terms of ion energy, ion flux, and ion to boron flux ratio onto the substrate. The ion energy and the ion to boron flux ratio are determined from the sheath potential and the ratio of incident ion flux to net deposited boron flux, respectively. For negative substrate biases where sp2-bonded BN phase only or no deposit is formed, both the ion energy and the ion to boron flux ratio are high. For positive substrate biases where cBN phase is formed, the ion energy and the ion to boron flux ratio are estimated in the range of a few eV to 35 eV and 100 to 130, respectively. The impact of negative ions is presumed to be negligible due to their low kinetic energy relative to the sheath potential over the substrate surface. The impact of positive ions with high ion to boron flux ratios is primarily responsible for reduction of the ion energy for cBN film deposition. Work supported in part by a Grant-in-Aid for Scientific Research (B), a Funding Program for Next Generation World-Leading Researchers, and an Industrial Technology Research Grant Program 2008.

  12. Stochastic spatial energy deposition profiles for MeV protons and keV electrons

    NASA Astrophysics Data System (ADS)

    Udalagama, C.; Bettiol, A. A.; Watt, F.

    2009-12-01

    With the rapid advances being made in novel high-energy ion-beam techniques such as proton beam writing, single-ion-event effects, ion-beam-radiation therapy, ion-induced fluorescence imaging, proton/ion microscopy, and ion-induced electron imaging, it is becoming increasingly important to understand the spatial energy-deposition profiles of energetic ions as they penetrate matter. In this work we present the results of comprehensive yet straightforward event-by-event Monte Carlo calculations that simulate ion/electron propagation and secondary electron ( δ ray) generation to yield spatial energy-deposition data. These calculations combine SRIM/TRIM features, EEDL97 data and volume-plasmon-localization models with a modified version of one of the newer δ ray generation models, namely, the Hansen-Kocbach-Stolterfoht. The development of the computer code DEEP (deposition of energy due to electrons and protons) offers a unique means of studying the energy-deposition/redistribution problem while still retaining the important stochastic nature inherent in these processes which cannot be achieved with analytical modeling. As an example of an application of DEEP we present results that compare the energy-deposition profiles of primary MeV protons and primary keV electrons in polymethymethacrylate. Such data are important when comparing proximity effects in the direct write lithography processes of proton-beam writing and electron-beam writing. Our calculations demonstrate that protons are able to maintain highly compact spatial energy-deposition profiles compared with electrons.

  13. Energy deposition by heavy ions: additivity of kinetic and potential energy contributions in hillock formation on CaF2.

    PubMed

    Wang, Y Y; Grygiel, C; Dufour, C; Sun, J R; Wang, Z G; Zhao, Y T; Xiao, G Q; Cheng, R; Zhou, X M; Ren, J R; Liu, S D; Lei, Y; Sun, Y B; Ritter, R; Gruber, E; Cassimi, A; Monnet, I; Bouffard, S; Aumayr, F; Toulemonde, M

    2014-07-18

    Modification of surface and bulk properties of solids by irradiation with ion beams is a widely used technique with many applications in material science. In this study, we show that nano-hillocks on CaF2 crystal surfaces can be formed by individual impact of medium energy (3 and 5 MeV) highly charged ions (Xe(22+) to Xe(30+)) as well as swift (kinetic energies between 12 and 58 MeV) heavy xenon ions. For very slow highly charged ions the appearance of hillocks is known to be linked to a threshold in potential energy (Ep) while for swift heavy ions a minimum electronic energy loss per unit length (Se) is necessary. With our results we bridge the gap between these two extreme cases and demonstrate, that with increasing energy deposition via Se the Ep-threshold for hillock production can be lowered substantially. Surprisingly, both mechanisms of energy deposition in the target surface seem to contribute in an additive way, which can be visualized in a phase diagram. We show that the inelastic thermal spike model, originally developed to describe such material modifications for swift heavy ions, can be extended to the case where both kinetic and potential energies are deposited into the surface.

  14. Energy deposition by heavy ions: Additivity of kinetic and potential energy contributions in hillock formation on CaF2

    PubMed Central

    Wang, Y. Y.; Grygiel, C.; Dufour, C.; Sun, J. R.; Wang, Z. G.; Zhao, Y. T.; Xiao, G. Q.; Cheng, R.; Zhou, X. M.; Ren, J. R.; Liu, S. D.; Lei, Y.; Sun, Y. B.; Ritter, R.; Gruber, E.; Cassimi, A.; Monnet, I.; Bouffard, S.; Aumayr, F.; Toulemonde, M.

    2014-01-01

    Modification of surface and bulk properties of solids by irradiation with ion beams is a widely used technique with many applications in material science. In this study, we show that nano-hillocks on CaF2 crystal surfaces can be formed by individual impact of medium energy (3 and 5 MeV) highly charged ions (Xe22+ to Xe30+) as well as swift (kinetic energies between 12 and 58 MeV) heavy xenon ions. For very slow highly charged ions the appearance of hillocks is known to be linked to a threshold in potential energy (Ep) while for swift heavy ions a minimum electronic energy loss per unit length (Se) is necessary. With our results we bridge the gap between these two extreme cases and demonstrate, that with increasing energy deposition via Se the Ep-threshold for hillock production can be lowered substantially. Surprisingly, both mechanisms of energy deposition in the target surface seem to contribute in an additive way, which can be visualized in a phase diagram. We show that the inelastic thermal spike model, originally developed to describe such material modifications for swift heavy ions, can be extended to the case where both kinetic and potential energies are deposited into the surface. PMID:25034006

  15. Energy deposition by heavy ions: Additivity of kinetic and potential energy contributions in hillock formation on CaF2

    NASA Astrophysics Data System (ADS)

    Wang, Y. Y.; Grygiel, C.; Dufour, C.; Sun, J. R.; Wang, Z. G.; Zhao, Y. T.; Xiao, G. Q.; Cheng, R.; Zhou, X. M.; Ren, J. R.; Liu, S. D.; Lei, Y.; Sun, Y. B.; Ritter, R.; Gruber, E.; Cassimi, A.; Monnet, I.; Bouffard, S.; Aumayr, F.; Toulemonde, M.

    2014-07-01

    Modification of surface and bulk properties of solids by irradiation with ion beams is a widely used technique with many applications in material science. In this study, we show that nano-hillocks on CaF2 crystal surfaces can be formed by individual impact of medium energy (3 and 5 MeV) highly charged ions (Xe22+ to Xe30+) as well as swift (kinetic energies between 12 and 58 MeV) heavy xenon ions. For very slow highly charged ions the appearance of hillocks is known to be linked to a threshold in potential energy (Ep) while for swift heavy ions a minimum electronic energy loss per unit length (Se) is necessary. With our results we bridge the gap between these two extreme cases and demonstrate, that with increasing energy deposition via Se the Ep-threshold for hillock production can be lowered substantially. Surprisingly, both mechanisms of energy deposition in the target surface seem to contribute in an additive way, which can be visualized in a phase diagram. We show that the inelastic thermal spike model, originally developed to describe such material modifications for swift heavy ions, can be extended to the case where both kinetic and potential energies are deposited into the surface.

  16. Time-Dependent Density of Viscous Modified Chaplygin Gas with Arbitrary α

    NASA Astrophysics Data System (ADS)

    Saadat, H.

    2013-11-01

    In this paper we study modified Chaplygin gas which has viscosity for the case of arbitrary α instead of α=0.5. We obtain behavior of the energy density of modified Chaplygin gas with respect to the constant and time-dependent bulk viscosity. We find also, numerically, effect of α on the energy density.

  17. Particle production and energy deposition studies for the neutrino factory target station

    NASA Astrophysics Data System (ADS)

    Back, John J.; Densham, Chris; Edgecock, Rob; Prior, Gersende

    2013-02-01

    We present FLUKA and MARS simulation studies of the pion production and energy deposition in the Neutrino Factory baseline target station, which consists of a 4 MW proton beam interacting with a liquid mercury jet target within a 20 T solenoidal magnetic field. We show that a substantial increase in the shielding is needed to protect the superconducting coils from too much energy deposition. Investigations reveal that it is possible to reduce the magnetic field in the solenoid capture system without adversely affecting the pion production efficiency. We show estimates of the amount of concrete shielding that will be required to protect the environment from the high radiation doses generated by the target station facility. We also present yield and energy deposition results for alternative targets: gallium liquid jet, tungsten powder jet, and solid tungsten bars.

  18. Biological consequences of nanoscale energy deposition near irradiated heavy atom nanoparticles

    PubMed Central

    McMahon, Stephen J.; Hyland, Wendy B.; Muir, Mark F.; Coulter, Jonathan A.; Jain, Suneil; Butterworth, Karl T.; Schettino, Giuseppe; Dickson, Glenn R.; Hounsell, Alan R.; O'Sullivan, Joe M.; Prise, Kevin M.; Hirst, David G.; Currell, Fred J.

    2011-01-01

    Gold nanoparticles (GNPs) are being proposed as contrast agents to enhance X-ray imaging and radiotherapy, seeking to take advantage of the increased X-ray absorption of gold compared to soft tissue. However, there is a great discrepancy between physically predicted increases in X-ray energy deposition and experimentally observed increases in cell killing. In this work, we present the first calculations which take into account the structure of energy deposition in the nanoscale vicinity of GNPs and relate this to biological outcomes, and show for the first time good agreement with experimentally observed cell killing by the combination of X-rays and GNPs. These results are not only relevant to radiotherapy, but also have implications for applications of heavy atom nanoparticles in biological settings or where human exposure is possible because the localised energy deposition high-lighted by these results may cause complex DNA damage, leading to mutation and carcinogenesis. PMID:22355537

  19. Effect of Mach number on the efficiency of microwave energy deposition in supersonic flow

    NASA Astrophysics Data System (ADS)

    Lashkov, V. A.; Karpenko, A. G.; Khoronzhuk, R. S.; Mashek, I. Ch.

    2016-05-01

    The article is devoted to experimental and numerical studies of the efficiency of microwave energy deposition into a supersonic flow around the blunt cylinder at different Mach numbers. Identical conditions for energy deposition have been kept in the experiments, thus allowing to evaluate the pure effect of varying Mach number on the pressure drop. Euler equations are solved numerically to model the corresponding unsteady flow compressed gas. The results of numerical simulations are compared to the data obtained from the physical experiments. It is shown that the momentum, which the body receives during interaction of the gas domain modified by microwave discharge with a shock layer before the body, increases almost linearly with rising of Mach number and the efficiency of energy deposition also rises.

  20. System to quantify gamma-ray radial energy deposition in semiconductor detectors

    DOEpatents

    Kammeraad, Judith E.; Blair, Jerome J.

    2001-01-01

    A system for measuring gamma-ray radial energy deposition is provided for use in conjunction with a semiconductor detector. The detector comprises two electrodes and a detector material, and defines a plurality of zones within the detecting material in parallel with the two electrodes. The detector produces a charge signal E(t) when a gamma-ray interacts with the detector. Digitizing means are provided for converting the charge signal E(t) into a digitized signal. A computational means receives the digitized signal and calculates in which of the plurality of zones the gamma-ray deposited energy when interacting with the detector. The computational means produces an output indicating the amount of energy deposited by the gamma-ray in each of the plurality of zones.

  1. Void formation in amorphous germanium due to high electronic energy deposition

    SciTech Connect

    Gaertner, K.; Joehrens, J.; Steinbach, T.; Schnohr, C. S.; Wesch, W.; Ridgway, M. C.

    2011-06-01

    The effect of high electronic energy deposition in amorphous germanium has been studied experimentally by Au irradiation with ion energies of up to 185 MeV and different angles of incidence and by molecular dynamics computer simulations. In both cases, the energy deposition leads to void formation accompanied by strong swelling of the amorphous germanium. The simulation results prove that the formation of the voids is mainly based on a shock wave mechanism and the swelling is determined by the competing processes of the formation and growth of voids on the one hand and the shrinking and annihilation of voids on the other hand. In full agreement between experiment and simulation, the amount of the swelling is a linear function of the total energy deposited into electronic processes and there exists a threshold value of the electronic energy loss per ion and depth for swelling. A comparison of the threshold values obtained by the experiment and the simulation suggests that approximately 20% of the energy deposited into electronic processes is converted into atomic motion.

  2. Strong shock generation by fast electron energy deposition

    SciTech Connect

    Fox, T. E.; Pasley, J.; Robinson, A. P. L.

    2013-12-15

    It has been suggested that fast electrons may play a beneficial role in the formation of the ignitor shock in shock ignition owing to the high areal density of the fuel at the time of the ignitor pulse. In this paper, we extend previous studies which have focused on monoenergetic electron sources to populations with extended energy distributions. In good agreement with analytic scalings, we show that strong shocks can be produced with peak pressures of a few hundred Mbar to over 1 Gbar using fast electron intensities of 1–10 PW/cm{sup 2} in a uniform deuterium-tritium plasma at 10 g/cm{sup 3}. However, the length required for shock formation increases with fast electron temperature. As this shock formation distance becomes comparable to the target size, the shock is not able to fully develop, and this implies a limit on the ability of fast electrons to aid shock formation.

  3. CONDENSED MATTER: ELECTRONICSTRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICALPROPERTIES: Time-Dependent Transport in Nanoscale Devices

    NASA Astrophysics Data System (ADS)

    Chen, Zhi-Dong; Zhang, Jin-Yu; Yu, Zhi-Ping

    2009-03-01

    A method for simulating ballistic time-dependent device transport, which solves the time-dependent Schrödinger equation using the finite difference time domain (FDTD) method together with Poisson's equation, is described in detail. The effective mass Schrödinger equation is solved. The continuous energy spectrum of the system is discretized using adaptive mesh, resulting in energy levels that sample the density-of-states. By calculating time evolution of wavefunctions at sampled energies, time-dependent transport characteristics such as current and charge density distributions are obtained. Simulation results in a nanowire and a coaxially gated carbon nanotube field-effect transistor (CNTFET) are presented. Transient effects, e.g., finite rising time, are investigated in these devices.

  4. A Template-Matching Method For Measuring Energy Depositions In TES Films

    NASA Astrophysics Data System (ADS)

    Shank, Benjamin; Yen, Jeffrey; Cabrera, Blas; Kreikebaum, John Mark; Moffatt, Robert; Redl, Peter; Young, Betty; Brink, Paul; Cherry, Matthew; Tomada, Astrid

    2014-03-01

    Transition edge sensors (TES) have a wide variety of applications in particle ∖astrophysics for detecting incoming particles with high energy resolution. In TES design, the need for sufficient heat capacity to avoid saturation limits the ultimate energy resolution. Building on the TES model developed for SuperCDMS by Yen et al. for tungsten TESs deposited next to aluminum collection fins, we outline a time-domain non-linear optimal filter method for reconstructing energy depositions in TES films. This allows us to operate devices into their saturation region while taking into account changing noise performance and loss of energy collection. We show how this method has improved our understanding of quasiparticle diffusion and energy collection in our superconducting sensors.

  5. Quantum Drude friction for time-dependent density functional theory

    NASA Astrophysics Data System (ADS)

    Neuhauser, Daniel; Lopata, Kenneth

    2008-10-01

    way to very simple finite grid description of scattering and multistage conductance using time-dependent density functional theory away from the linear regime, just as absorbing potentials and self-energies are useful for noninteracting systems and leads.

  6. Relativistic Coulomb excitation within the time dependent superfluid local density approximation

    DOE PAGES

    Stetcu, I.; Bertulani, C. A.; Bulgac, A.; ...

    2015-01-06

    Within the framework of the unrestricted time-dependent density functional theory, we present for the first time an analysis of the relativistic Coulomb excitation of the heavy deformed open shell nucleus 238U. The approach is based on the superfluid local density approximation formulated on a spatial lattice that can take into account coupling to the continuum, enabling self-consistent studies of superfluid dynamics of any nuclear shape. We compute the energy deposited in the target nucleus as a function of the impact parameter, finding it to be significantly larger than the estimate using the Goldhaber-Teller model. The isovector giant dipole resonance, themore » dipole pygmy resonance, and giant quadrupole modes are excited during the process. As a result, the one-body dissipation of collective dipole modes is shown to lead a damping width Γ↓≈0.4 MeV and the number of preequilibrium neutrons emitted has been quantified.« less

  7. Characteristics of zinc sulphide nanostructures grown onsilica modified-polyaniline with polymerization time-dependent

    NASA Astrophysics Data System (ADS)

    Potestas, M.; Alguno, A.; Vequizo, R.; Sambo, B. R.; Odarve, M. K.

    2015-06-01

    Growth of zinc sulphide (ZnS) nanostructures on silica modified-polyaniline (SM- PAni) with polymerization time-dependent was prepared using chemical bath deposition (CBD) technique. The grown samples were characterized by scanning electron microscopy (SEM) equipped with energy dispersive x-ray spectroscopy (EDS) and fourier transform infrared spectroscopy (FTIR). SEM images revealed that polyaniline rod-like nanostructures and ZnS nanospheres were successfully grown. The average diameter of the grown ZnS nanospheres did not significantly change by changing the growth time of the polyaniline. However, ZnS nanospheres grown with longer polymerization time of PAni is less dense and loosely bound as compared to shorter polymerization time of PAni. The less density of ZnS nanostructures with longer polymerization time of PAni may be due to the presence of PAni agglomerates that hinders the growth of ZnS nanospheres. Furthermore, FTIR spectra confirmed that the grown polyaniline is of emeraldine salt oxidation state which is the most conductive state of PAni.

  8. Extended bulk defects induced by low-energy ions during partially ionized beam deposition

    SciTech Connect

    Lee, W.I.; Wong, J.; Borrego, J.M.; Lu, T.

    1988-08-15

    The study of possible defects generated by low-energy ions during partially ionized beam (PIB) depositions was performed. No defects were observed when acceleration voltage was set lower than 1 kV. Surprisingly, several deep levels were detected up to the depth of 4000 A in the 3-kV sample. However, these levels can be annealed out at a relatively low temperature of 400 /sup 0/C. It is concluded in this study that, by properly choosing the ion energy range, PIB deposition will not cause severe damage to the substrate and can be a viable technique for growing heterostructures.

  9. Energy deposition in the earth's atmosphere due to impact of solar activity-generated disturbances

    NASA Technical Reports Server (NTRS)

    Wu, S. T.; Kan, L. C.; Tandberg-Hanssen, E.; Dryer, M.

    1979-01-01

    Energy deposition in and dynamic responses of the terrestrial atmosphere to solar flare-generated shocks and other physical processes - such as particle precipitation and local heating - are investigated self-consistently in the context of hydrodynamics, the problem being treated as an initial boundary-value problem. It is extremely difficult to construct a general model for the line solar activity-magnetosphere-atmosphere; however, a limited model for this link is possible. The paper describes such a model, and presents some results on energy deposition into the earth's atmosphere due to solar activity-generated disturbances. Results from the present calculations are presented and discussed.

  10. Amorphization due to electronic energy deposition in defective strontium titanate

    DOE PAGES

    Xue, Haizhou; Zarkadoula, Eva; Liu, Peng; ...

    2017-01-27

    The synergistic interaction of electronic energy loss by ions with ion-induced defects created by elastic nuclear scattering processes has been investigated for single crystal SrTiO3. An initial pre-damaged defect state corresponding to a relative disorder level of 0.10–0.15 sensitizes the SrTiO3 to amorphous track formation along the ion path of 12 and 20 MeV Ti, 21 MeV Cl and 21 MeV Ni ions, where Ti, Cl and Ni ions otherwise do not produce amorphous or damage tracks in pristine SrTiO3. The electronic stopping power threshold for amorphous ion track formation is found to be 6.7 keV/nm for the pre-damaged defectmore » state studied in this work. Lastly, these results suggest the possibility of selectively producing nanometer scale, amorphous ion tracks in thin films of epitaxial SrTiO3.« less

  11. Time-dependent buoyant puff model for explosive sources

    SciTech Connect

    Kansa, E.J.

    1997-10-01

    This paper presents a new model for explosive puff rise histories that is derived from the strong conservative form of the partial differential equations of mass, momenta, and total energy that are integrated over space to yield a coupled system of time dependent nonlinear ordinary differential equations (ODEs). By allowing the dimensions of the puff to evolve laterally and horizontally, the initial rising spherical shaped puff evolves into a rising ellipsoidal shaped mushroom cloud. This model treats the turbulence that is generated by the puff itself and the ambient atmospheric turbulence as separate mechanisms in determining the puff history. The puff rise history was found to depend not only upon the mass and initial temperature of the explosion, but also upon the local stability conditions of the ambient atmosphere through which the puff rises. This model was calibrated by comparison with the Roller Coaster experiments, ranging from unstable to very stable atmospheric conditions; the agreement of the model history curves with these experimental curves was within 10%.

  12. Stochastic Time-Dependent Current-Density Functional Theory

    NASA Astrophysics Data System (ADS)

    D'Agosta, Roberto

    2008-03-01

    Static and dynamical density functional methods have been applied with a certain degree of success to a variety of closed quantum mechanical systems, i.e., systems that can be described via a Hamiltonian dynamics. However, the relevance of open quantum systems - those coupled to external environments, e.g., baths or reservoirs - cannot be overestimated. To investigate open quantum systems with DFT methods we have introduced a new theory, we have named Stochastic Time-Dependent Current Density Functional theory (S-TDCDFT) [1]: starting from a suitable description of the system dynamics via a stochastic Schrödinger equation [2], we have proven that given an initial quantum state and the coupling between the system and the environment, there is a one-to-one correspondence between the ensemble-averaged current density and the external vector potential applied to the system.In this talk, I will introduce the stochastic formalism needed for the description of open quantum systems, discuss in details the theorem of Stochastic TD-CDFT, and provide few examples of its applicability like the dissipative dynamics of excited systems, quantum-measurement theory and other applications relevant to charge and energy transport in nanoscale systems.[1] M. Di Ventra and R. D'Agosta, Physical Review Letters 98, 226403 (2007)[2] N.G. van Kampen, Stochastic processes in Physics and Chemistry, (North Holland, 2001), 2nd ed.

  13. Time-dependent potential-functional embedding theory.

    PubMed

    Huang, Chen; Libisch, Florian; Peng, Qing; Carter, Emily A

    2014-03-28

    We introduce a time-dependent potential-functional embedding theory (TD-PFET), in which atoms are grouped into subsystems. In TD-PFET, subsystems can be propagated by different suitable time-dependent quantum mechanical methods and their interactions can be treated in a seamless, first-principles manner. TD-PFET is formulated based on the time-dependent quantum mechanics variational principle. The action of the total quantum system is written as a functional of the time-dependent embedding potential, i.e., a potential-functional formulation. By exploiting the Runge-Gross theorem, we prove the uniqueness of the time-dependent embedding potential under the constraint that all subsystems share a common embedding potential. We derive the integral equation that such an embedding potential needs to satisfy. As proof-of-principle, we demonstrate TD-PFET for a Na4 cluster, in which each Na atom is treated as one subsystem and propagated by time-dependent Kohn-Sham density functional theory (TDDFT) using the adiabatic local density approximation (ALDA). Our results agree well with a direct TDDFT calculation on the whole Na4 cluster using ALDA. We envision that TD-PFET will ultimately be useful for studying ultrafast quantum dynamics in condensed matter, where key regions are solved by highly accurate time-dependent quantum mechanics methods, and unimportant regions are solved by faster, less accurate methods.

  14. Time-Dependent, Parallel Neutral Particle Transport Code System.

    SciTech Connect

    BAKER, RANDAL S.

    2009-09-10

    Version 00 PARTISN (PARallel, TIme-Dependent SN) is the evolutionary successor to CCC-547/DANTSYS. The PARTISN code package is a modular computer program package designed to solve the time-independent or dependent multigroup discrete ordinates form of the Boltzmann transport equation in several different geometries. The modular construction of the package separates the input processing, the transport equation solving, and the post processing (or edit) functions into distinct code modules: the Input Module, the Solver Module, and the Edit Module, respectively. PARTISN is the evolutionary successor to the DANTSYSTM code system package. The Input and Edit Modules in PARTISN are very similar to those in DANTSYS. However, unlike DANTSYS, the Solver Module in PARTISN contains one, two, and three-dimensional solvers in a single module. In addition to the diamond-differencing method, the Solver Module also has Adaptive Weighted Diamond-Differencing (AWDD), Linear Discontinuous (LD), and Exponential Discontinuous (ED) spatial differencing methods. The spatial mesh may consist of either a standard orthogonal mesh or a block adaptive orthogonal mesh. The Solver Module may be run in parallel for two and three dimensional problems. One can now run 1-D problems in parallel using Energy Domain Decomposition (triggered by Block 5 input keyword npeg>0). EDD can also be used in 2-D/3-D with or without our standard Spatial Domain Decomposition. Both the static (fixed source or eigenvalue) and time-dependent forms of the transport equation are solved in forward or adjoint mode. In addition, PARTISN now has a probabilistic mode for Probability of Initiation (static) and Probability of Survival (dynamic) calculations. Vacuum, reflective, periodic, white, or inhomogeneous boundary conditions are solved. General anisotropic scattering and inhomogeneous sources are permitted. PARTISN solves the transport equation on orthogonal (single level or block-structured AMR) grids in 1-D (slab, two

  15. Plasma engineering of silicon quantum dots and their properties through energy deposition and chemistry.

    PubMed

    Sahu, Bibhuti Bhusan; Yin, Yongyi; Gauter, Sven; Han, Jeon Geon; Kersten, Holger

    2016-09-21

    The characterization of plasma and atomic radical parameters along with the energy influx from plasma to the substrate during plasma enhanced chemical vapor deposition (PECVD) of Si quantum dot (QD) films is presented and discussed. In particular, relating to the Si QD process optimization and control of film growth, the necessity to control the deposition environment by inducing the effect of the energy of the key plasma species is realized. In this contribution, we report dual frequency PECVD processes for the low-temperature and high-rate deposition of Si QDs by chemistry and energy control of the key plasma species. The dual frequency plasmas can effectively produce a very high plasma density and atomic H and N densities, which are found to be crucial for the growth and nucleation of QDs. Apart from the study of plasma chemistry, the crucial role of the energy imparted due to these plasma activated species on the substrate is determined in light of QD formation. Various plasma diagnostics and film analysis methods are integrated to correlate the effect of plasma and energy flux on the properties of the deposited films prepared in the reactive mixtures of SiH4/NH3 at various pressures. The present results are highly relevant to the development of the next-generation plasma process for devices that rely on effective control of the QD size and film properties.

  16. Electromagnetic Field Quantization in Time-Dependent Linear Media

    SciTech Connect

    Pedrosa, I. A.; Rosas, Alexandre

    2009-07-03

    We present a quantization scheme for the electromagnetic field in time-dependent homogeneous nondispersive conducting and nonconducting linear media without sources. Using the Coulomb gauge, we demonstrate this quantization can be mapped into a damped (attenuated) time-dependent quantum harmonic oscillator. Remarkably, we find that the time dependence of the permittivity, for epsilon>0, gives rise to an attenuation of the radiation field. Afterwards, we obtain the exact wave functions for this problem and consider an exponential time accretion of the permittivity as a particular case.

  17. Feinberg-Horodecki states of a time-dependent mass distribution harmonic oscillator

    NASA Astrophysics Data System (ADS)

    Eshghi, M.; Sever, R.; Ikhdair, S. M.

    2016-07-01

    The solution of the Feinberg-Horodecki (FH) equation for a time-dependent mass (TDM) harmonic oscillator quantum system is studied. A certain interaction is applied to a mass m(t) to provide a particular spectrum of stationary energies. The related spectrum of the harmonic oscillator potential V(t) acting on the TDM m(t) oscillators is found. We apply the time version of the asymptotic iteration method (AIM) to calculate analytical expressions of the TDM stationary state energies and their wave functions. It is shown that the obtained solutions reduce to those of simple harmonic oscillator as the time-dependent mass reduces to m0.

  18. Internal energy deposition with silicon nanoparticle-assisted laser desorption/ionization (SPALDI) mass spectrometry

    NASA Astrophysics Data System (ADS)

    Dagan, Shai; Hua, Yimin; Boday, Dylan J.; Somogyi, Arpad; Wysocki, Ronald J.; Wysocki, Vicki H.

    2009-06-01

    The use of silicon nanoparticles for laser desorption/ionization (LDI) is a new appealing matrix-less approach for the selective and sensitive mass spectrometry of small molecules in MALDI instruments. Chemically modified silicon nanoparticles (30 nm) were previously found to require very low laser fluence in order to induce efficient LDI, which raised the question of internal energy deposition processes in that system. Here we report a comparative study of internal energy deposition from silicon nanoparticles to previously explored benzylpyridinium (BP) model compounds during LDI experiments. The internal energy deposition in silicon nanoparticle-assisted laser desorption/ionization (SPALDI) with different fluorinated linear chain modifiers (decyl, hexyl and propyl) was compared to LDI from untreated silicon nanoparticles and from the organic matrix, [alpha]-cyano-4-hydroxycinnamic acid (CHCA). The energy deposition to internal vibrational modes was evaluated by molecular ion survival curves and indicated that the ions produced by SPALDI have an internal energy threshold of 2.8-3.7 eV. This is slightly lower than the internal energy induced using the organic CHCA matrix, with similar molecular survival curves as previously reported for LDI off silicon nanowires. However, the internal energy associated with desorption/ionization from the silicon nanoparticles is significantly lower than that reported for desorption/ionization on silicon (DIOS). The measured survival yields in SPALDI gradually decrease with increasing laser fluence, contrary to reported results for silicon nanowires. The effect of modification of the silicon particle surface with semifluorinated linear chain silanes, including fluorinated decyl (C10), fluorinated hexyl (C6) and fluorinated propyl (C3) was explored too. The internal energy deposited increased with a decrease in the length of the modifier alkyl chain. Unmodified silicon particles exhibited the highest analyte internal energy

  19. Hiking down the energy landscape: progress toward the Kauzmann temperature via vapor deposition.

    PubMed

    Kearns, Kenneth L; Swallen, Stephen F; Ediger, M D; Wu, Tian; Sun, Ye; Yu, Lian

    2008-04-24

    Physical vapor deposition was employed to prepare amorphous samples of indomethacin and 1,3,5-(tris)naphthylbenzene. By depositing onto substrates held somewhat below the glass transition temperature and varying the deposition rate from 15 to 0.2 nm/s, glasses with low enthalpies and exceptional kinetic stability were prepared. Glasses with fictive temperatures that are as much as 40 K lower than those prepared by cooling the liquid can be made by vapor deposition. As compared to an ordinary glass, the most stable vapor-deposited samples moved about 40% toward the bottom of the potential energy landscape for amorphous materials. These results support the hypothesis that enhanced surface mobility allows stable glass formation by vapor deposition. A comparison of the enthalpy content of vapor-deposited glasses with aged glasses was used to evaluate the difference between bulk and surface dynamics for indomethacin; the dynamics in the top few nanometers of the glass are about 7 orders of magnitude faster than those in the bulk at Tg - 20 K.

  20. Strain and Cohesive Energy of TiN Deposit on Al(001) Surface: Density Functional Calculation

    NASA Astrophysics Data System (ADS)

    Ren, Yuan; Liu, Xuejie

    2016-07-01

    To apply the high hardness of TiN film to soft and hard multilayer composite sheets, we constructed a new type of composite structural material with ultra-high strength. The strain of crystal and cohesive energy between the atoms in the eight structures of N atom, Ti atom, 2N2Ti island and TiN rock salt deposited on the Al(001) surface were calculated with the first-principle ultra-soft pseudopotential approach of the plane wave based on the density functional theory. The calculations of the cohesive energy showed that N atoms could be deposited in the face-centered-cubic vacancy position of the Al(001) surface and results in a cubic structure AlN surface. The TiN film could be deposited on the interface of β-AlN. The calculations of the strains showed that the strain in the TiN film deposited on the Al(001) surface was less than that in the 2N2Ti island deposited on the Al(001) surface. The diffusion behavior of interface atom N was investigated by a nudged elastic band method. Diffusion energy calculation showed that the N atom hardly diffused to the substrate Al layer.

  1. Experimental investigation on the energy deposition and expansion rate under the electrical explosion of aluminum wire in vacuum

    SciTech Connect

    Shi, Zongqian; Wang, Kun; Shi, Yuanjie; Wu, Jian; Han, Ruoyu

    2015-12-28

    Experimental investigations on the electrical explosion of aluminum wire using negative polarity current in vacuum are presented. Current pulses with rise rates of 40 A/ns, 80 A/ns, and 120 A/ns are generated for investigating the influence of current rise rate on energy deposition. Experimental results show a significant increase of energy deposition into the wire before the voltage breakdown with the increase of current rise rate. The influence of wire dimension on energy deposition is investigated as well. Decreasing the wire length allows more energy to be deposited into the wire. The energy deposition of a 0.5 cm-long wire explosion is ∼2.5 times higher than the energy deposition of a 2 cm-long wire explosion. The dependence of the energy deposition on wire diameter demonstrates a maximum energy deposition of 2.7 eV/atom with a diameter of ∼18 μm. Substantial increase in energy deposition is observed in the electrical explosion of aluminum wire with polyimide coating. A laser probe is applied to construct the shadowgraphy, schlieren, and interferometry diagnostics. The morphology and expansion trajectory of exploding products are analyzed based on the shadowgram. The interference phase shift is reconstructed from the interferogram. Parallel dual wires are exploded to estimate the expansion velocity of the plasma shell.

  2. Analysis of CRRES PHA Data for Low-Energy-Deposition Events

    NASA Technical Reports Server (NTRS)

    McNulty, P. J.; Hardage, Donna

    2004-01-01

    This effort analyzed the low-energy deposition Pulse Height Analyzer (PHA) data from the Combined Release and Radiation Effects Satellite (CRRES). The high-energy deposition data had been previously analyzed and shown to be in agreement with spallation reactions predicted by the Clemson University Proton Interactions in Devices (CUPID) simulation model and existing environmental and orbit positioning models (AP-8 with USAF B-L coordinates). The scope of this project was to develop and improve the CUPID model by increasing its range to lower incident particle energies, and to expand the modeling to include contributions from elastic interactions. Before making changes, it was necessary to identify experimental data suitable for benchmarking the codes; then, the models to the CRRES PHA data could be applied. It was also planned to test the model against available low-energy proton or neutron SEU data obtained with mono-energetic beams.

  3. Energy Deposition and Shielding Study of the Front End for the Neutrino Factory

    SciTech Connect

    Snopok, Pavel; Neuffer, David; Rogers, Chris

    2013-06-01

    In the Neutrino Factory and Muon Collider muons are produced by firing high energy protons onto a target to produce pions. The pions decay to muons which are then accelerated. This method of pion production results in significant background from protons and electrons, which may result in heat deposition on superconducting materials and activation of the machine preventing manual handling. In this paper we discuss the design of a secondary particle handling system. The system comprises a solenoidal chicane that filters high momentum particles, followed by a proton absorber that reduces the energy of all particles, resulting in the rejection of low energy protons that pass through the solenoid chicane. We detail the design and optimization of the system and energy deposition and shielding analysis in MARS15.

  4. Energy deposition in ultrathin extreme ultraviolet resist films: extreme ultraviolet photons and keV electrons

    NASA Astrophysics Data System (ADS)

    Kyser, David F.; Eib, Nicholas K.; Ritchie, Nicholas W. M.

    2016-07-01

    The absorbed energy density (eV/cm3) deposited by extreme ultraviolet (EUV) photons and electron beam (EB) high-keV electrons is proposed as a metric for characterizing the sensitivity of EUV resist films. Simulations of energy deposition are used to calculate the energy density as a function of the incident aerial flux (EUV: mJ/cm2, EB: μC/cm2). Monte Carlo calculations for electron exposure are utilized, and a Lambert-Beer model for EUV absorption. The ratio of electron flux to photon flux which results in equivalent energy density is calculated for a typical organic chemically amplified resist film and a typical inorganic metal-oxide film. This ratio can be used to screen EUV resist materials with EB measurements and accelerate advances in EUV resist systems.

  5. Energy deposition through radiative processes in absorbers irradiated by electron beams

    NASA Astrophysics Data System (ADS)

    Tatsuo, Tabata; Pedro, Andreo; Kunihiko, Shinoda; Rinsuke, Ito

    1994-09-01

    The component of energy deposition due to radiative processes (bremsstrahlung component) in absorbers irradiated by electron beams has been computed together with the total energy deposition by using the ITS Monte Carlo system version 3.0. Plane-parallel electron beams with energies from 0.1 to 100 MeV have been assumed to be incident normally on the slab absorber, whose thickness is 2.5 times the continuous slowing-down approximation (csda) range of the incident electrons. Absorber materials considered are elemental solids with atomic numbers between 4 and 92 (Be, C, Al, Cu, Ag, Au and U). An analytic formula is given to express the depth profile of the bremsstrahlung component as a function of scaled depth (depth in units of the csda range), incident-electron energy and absorber atomic number. It is also applicable to compounds.

  6. On the time-dependent Lagrangian approach in quantum chemistry

    NASA Astrophysics Data System (ADS)

    Pedersen, Thomas Bondo; Koch, Henrik

    1998-04-01

    We formulate the time-dependent variational principle in the form of the Euler-Lagrange equations, and demonstrate that standard variational as well as nonvariational wave functions may be obtained from these. We also demonstrate how inherently real expectation values of Hermitian operators can be constructed for nonvariational wave functions by using the time-dependent Hellmann-Feynman theorem which, in turn, is a simple consequence of the Euler-Lagrange equations. The procedure is illustrated by derivation of time-dependent Hartree-Fock and of time-dependent coupled cluster theory. Finally we give the fundamental equations for molecular dynamics within semiclassical electron nuclear dynamics (END) with a classical description of the nuclei and coupled cluster description of the electrons.

  7. Functional differentiability in time-dependent quantum mechanics

    NASA Astrophysics Data System (ADS)

    Penz, Markus; Ruggenthaler, Michael

    2015-03-01

    In this work, we investigate the functional differentiability of the time-dependent many-body wave function and of derived quantities with respect to time-dependent potentials. For properly chosen Banach spaces of potentials and wave functions, Fréchet differentiability is proven. From this follows an estimate for the difference of two solutions to the time-dependent Schrödinger equation that evolve under the influence of different potentials. Such results can be applied directly to the one-particle density and to bounded operators, and present a rigorous formulation of non-equilibrium linear-response theory where the usual Lehmann representation of the linear-response kernel is not valid. Further, the Fréchet differentiability of the wave function provides a new route towards proving basic properties of time-dependent density-functional theory.

  8. Consolidation by vertical drains under time-dependent loading

    NASA Astrophysics Data System (ADS)

    Tang, Xiao-Wu; Onitsuka, Katsutada

    2000-08-01

    A solution for the consolidation by vertical drains under time-dependent loading is presented in this paper. Considering the well resistance and the smear action, the simultaneous basic partial differential equations of the consolidation by vertical drains are obtained for the arbitrary loading method. However, the impulse function method cannot be directly applied to obtain the solution. The partial differential equations and the solution conditions that satisfy the impulse function method are obtained after some mathematical processing. The solution for the consolidation by vertical drains under time-dependent loading is obtained by virtue of the impulse function method and the solution under instantaneous loading. The solutions under single ramp loading and multi-ramp loading are obtained and the feasibility of Carrillo's method under time-dependent loading is discussed. Further, the characteristics of the consolidation by vertical drains under instantaneous loading and time-dependent loading are discussed.

  9. Energy bandgap variation in oblique angle-deposited indium tin oxide

    SciTech Connect

    Kim, Kyurin; Kim, Hyunsoo; Cho, Jaehee; Park, Jun Hyuk; Kim, Jong Kyu; Fred Schubert, E.

    2016-01-25

    Indium tin oxide (ITO) thin films deposited using the oblique angle deposition (OAD) technique exhibit a strong correlation between structural and optical properties, especially the optical bandgap energy. The microstructural properties of ITO thin films are strongly influenced by the tilt angle used during the OAD process. When changing the tilt angle, the refractive index, porosity, and optical bandgap energy of ITO films also change due to the existence of a preferential growth direction at the interface between ITO and the substrate. Experiments reveal that the ITO film's optical bandgap varies from 3.98 eV (at normal incident deposition) to 3.87 eV (at a 60° tilt angle)

  10. Chemical vapour deposition of thermochromic vanadium dioxide thin films for energy efficient glazing

    SciTech Connect

    Warwick, Michael E.A.; Binions, Russell

    2014-06-01

    Vanadium dioxide is a thermochromic material that undergoes a semiconductor to metal transitions at a critical temperature of 68 °C. This phase change from a low temperature monoclinic structure to a higher temperature rutile structure is accompanied by a marked change in infrared reflectivity and change in resistivity. This ability to have a temperature-modulated film that can limit solar heat gain makes vanadium dioxide an ideal candidate for thermochromic energy efficient glazing. In this review we detail the current challenges to such glazing becoming a commercial reality and describe the key chemical vapour deposition technologies being employed in the latest research. - Graphical abstract: Schematic demonstration of the effect of thermochromic glazing on solar radiation (red arrow represents IR radiation, black arrow represents all other solar radiation). - Highlights: • Vanadium dioxide thin films for energy efficient glazing. • Reviews chemical vapour deposition techniques. • Latest results for thin film deposition for vanadium dioxide.

  11. Reduced energy bandgap of a-Si:H films deposited by PECVD at elevating temperatures

    NASA Astrophysics Data System (ADS)

    Cahyono, Yoyok; Maslakah, Umi; Muttaqin, Fuad Darul; Darminto

    2017-01-01

    The hydrogenated amorphous silicon (a-Si:H) films with the thickness of several hundreds nanometer have successfully been grown on the glass substrates by plasma enhanced (PE) chemical vapor deposition (CVD), employing SiH4 gas with H2 dilution. The deposition temperatures being set from 150°C up to 250°C was intended to induce nanocrystalline clusters in the amorphous structure, to reduce dangling bond and to recover defect states in the gap, in order to obtain films with reduced energy band gap. The X-ray diffractometry, UV-Vis spectrometric and atomic force microscopic examinations were conducted to structurally study the samples. The reduction of energy bandgap from 1.89 eV down to 1.03 eV was obtained from the deposited films.

  12. Time Dependent Studies of Reactive Shocks in the Gas Phase

    DTIC Science & Technology

    1978-11-16

    1 LEVEL NRL Memorandum Report 3W tO Time Dependent Studies of Reactive Shocks in the Gas Phase E.S. ORAN, ’T.R. YOUNG and J.P. BORIS Laboratory for...34-• TIME DEPENDENT STUDIES OF REACTIVE SHOCKS IN THE GAS PHASE I. Introduction This paper presents results obtained from a detailed numerical...chemical kinetics, reaction products, and intermediates produced in reactive gas mixtures ignited by the propagation of a shock front. The model is based

  13. One Dimensional Time-Dependent Tunnelling of Excitons

    NASA Astrophysics Data System (ADS)

    Kilcullen, Patrick; Salayka-Ladouceur, Logan; Malmgren, Kevin; Reid, Matthew; Shegelski, Mark R. A.

    2017-03-01

    We study the time-dependent tunnelling of excitons in one dimension using numerical integration based on the Crank-Nicholson method. A complete development of the time-dependent simulator is provided. External barriers studied include single and double delta barriers. We find that the appearance of transmission resonances depends strongly on the dielectric constant, relative effective masses, and initial spatial spread of the wavefunction. A discussion regarding applications to realistic systems is provided.

  14. Effects of acidic deposition and other energy emissions on wildlife: a compendium

    SciTech Connect

    Newman, J.R.; Schreiber, R.K.

    1985-10-01

    Energy emissions, including acidic depositions, pose potential problems for wildlife populations. Historical and recent events show both direct, acute effects and indirect, chronic effects from a variety of airborne pollutants. Information on effects of selected gaseous and particulate energy emissions on domestic animals and livestock and on wildlife is compared. Our understanding of wildlife effects can be improved by the evaluation of veterinary toxicological information and research on the ecological equivalents of domestic and laboratory animals. 42 references.

  15. Evaluation of eruptive energy of a pyroclastic deposit applying fractal geometry to fragment size distributions

    NASA Astrophysics Data System (ADS)

    Paredes Marino, Joali; Morgavi, Daniele; Di Vito, Mauro; de Vita, Sandro; Sansivero, Fabio; Perugini, Diego

    2016-04-01

    Fractal fragmentation theory has been applied to characterize the particle size distribution of pyroclastic deposits generated by volcanic explosions. Recent works have demonstrated that fractal dimension on grain size distributions can be used as a proxy for estimating the energy associated with volcanic eruptions. In this work we seek to establish a preliminary analytical protocol that can be applied to better characterize volcanic fall deposits and derive the potential energy for fragmentation that was stored in the magma prior/during an explosive eruption. The methodology is based on two different techniques for determining the grain-size distribution of the pyroclastic samples: 1) dry manual sieving (particles larger than 297μm), and 2) automatic grain size analysis via a CamSizer-P4®device, the latter measure the distribution of projected area, obtaining a cumulative distribution based on volume fraction for particles up to 30mm. Size distribution data have been analyzed by applying the fractal fragmentation theory estimating the value of Df, i.e. the fractal dimension of fragmentation. In order to test our protocol we studied the Cretaio eruption, Ischia island, Italy. Results indicate that size distributions of pyroclastic fall deposits follow a fractal law, indicating that the fragmentation process of these deposits reflects a scale-invariant fragmentation mechanism. Matching the results from manual and automated techniques allows us to obtain a value of the "fragmentation energy" from the explosive eruptive events that generate the Cretaio deposits. We highlight the importance of these results, based on fractal statistics, as an additional volcanological tool for addressing volcanic risk based on the analyses of grain size distributions of natural pyroclastic deposits. Keywords: eruptive energy, fractal dimension of fragmentation, pyroclastic fallout.

  16. Recent Development of Advanced Electrode Materials by Atomic Layer Deposition for Electrochemical Energy Storage.

    PubMed

    Guan, Cao; Wang, John

    2016-10-01

    Electrode materials play a decisive role in almost all electrochemical energy storage devices, determining their overall performance. Proper selection, design and fabrication of electrode materials have thus been regarded as one of the most critical steps in achieving high electrochemical energy storage performance. As an advanced nanotechnology for thin films and surfaces with conformal interfacial features and well controllable deposition thickness, atomic layer deposition (ALD) has been successfully developed for deposition and surface modification of electrode materials, where there are considerable issues of interfacial and surface chemistry at atomic and nanometer scale. In addition, ALD has shown great potential in construction of novel nanostructured active materials that otherwise can be hardly obtained by other processing techniques, such as those solution-based processing and chemical vapor deposition (CVD) techniques. This review focuses on the recent development of ALD for the design and delivery of advanced electrode materials in electrochemical energy storage devices, where typical examples will be highlighted and analyzed, and the merits and challenges of ALD for applications in energy storage will also be discussed.

  17. Low energy, low latitude wave-dominated shallow marine depositional systems: examples from northern Borneo

    NASA Astrophysics Data System (ADS)

    Lambiase, Joseph J.; Suraya Tulot

    2013-12-01

    The depositional environments of the wave-dominant successions in the middle to late Miocene Belait and Sandakan Formations in northwestern and northern Borneo, respectively, were determined based on grain size distributions, sedimentary structures and facies successions, as well as trace and microfossil assemblages. Generally, progradational shoreface successions in the Belait Formation were deposited in very low wave energy environments where longshore currents were too weak to generate trough cross-bedding. Shoreface sands are laterally continuous for several km and follow the basin contours, suggesting attached beaches similar to the modern Brunei coastline. In contrast, trough cross-bedding is common in the coarser Sandakan Formation and back-barrier mangrove swamp deposits cap the progradational succession as on the modern northern Dent Peninsula coastline, indicating barrier development and higher wave energy conditions than in the Belait Formation. The Borneo examples indicate that barrier systems that include significant tidal facies form under higher wave energy conditions than attached beaches with virtually no tidal facies. Also, Borneo's low latitude climate promotes back-barrier mangrove which reduces tidal exchange and reduces tidal influence relative to comparable temperate climate systems. The results of the study indicate that depositional systems on low energy, wave-dominated coasts are highly variable, as are the sand bodies and facies associations they generate.

  18. Recent Development of Advanced Electrode Materials by Atomic Layer Deposition for Electrochemical Energy Storage

    PubMed Central

    2016-01-01

    Electrode materials play a decisive role in almost all electrochemical energy storage devices, determining their overall performance. Proper selection, design and fabrication of electrode materials have thus been regarded as one of the most critical steps in achieving high electrochemical energy storage performance. As an advanced nanotechnology for thin films and surfaces with conformal interfacial features and well controllable deposition thickness, atomic layer deposition (ALD) has been successfully developed for deposition and surface modification of electrode materials, where there are considerable issues of interfacial and surface chemistry at atomic and nanometer scale. In addition, ALD has shown great potential in construction of novel nanostructured active materials that otherwise can be hardly obtained by other processing techniques, such as those solution‐based processing and chemical vapor deposition (CVD) techniques. This review focuses on the recent development of ALD for the design and delivery of advanced electrode materials in electrochemical energy storage devices, where typical examples will be highlighted and analyzed, and the merits and challenges of ALD for applications in energy storage will also be discussed. PMID:27840793

  19. Atmospheric Breakup and Energy Deposition Modeling for Asteroid Impact Risk Assessmen

    NASA Astrophysics Data System (ADS)

    Wheeler, L.; Mathias, D.

    2016-12-01

    The Asteroid Threat Assessment Project (ATAP) team at NASA Ames Research Center is developing physics-based models to assess the risk posed by potential asteroid strikes on Earth. As part of this effort, an analytic asteroid fragmentation model has been developed to model the atmospheric energy deposition of asteroids with a range of compositional properties and entry conditions. The resulting energy deposition profiles are used to estimate airburst altitudes and blast overpressure damage on the ground. The model approach combines successive fragmentation of larger independent pieces with the release of aggregate clouds of debris. A wide range of potential breakup behaviors can be assessed by varying the number and masses of fragments produced, the fraction of mass released as debris clouds, and the size-strength scaling used to increase the durability of smaller fragments. The initial asteroid body can also be seeded with a distribution of independent fragment sizes and remaining debris mass to represent a variety of structural types, from rubble piles to coherent monoliths. The model is able to reproduce key energy deposition features, such as multiple flares, high-altitude regolith blow-off, or initial disruption of loosely bound conglomerations followed by more energetic breakup of the constituent boulders. These capabilities provide a means to investigate sensitivities of energy deposition to potential variations in asteroid structure, while also maintaining a level of fidelity appropriate for the large numbers of cases needed for statistical risk assessment.

  20. Energy deposition in scintillation detectors and the triggers formation in the GAMMA-400 experiment

    NASA Astrophysics Data System (ADS)

    Arkhangelskaja, Irene; Yurkin, Yuri T.; Arkhangelsky, Andrey; Topchiev, Nikolay; Kheymits, Maxim; Chasovikov, Evgeniy; Galper, Arkady; Chistyakov, Pavel

    In this paper, some details of the GAMMA-400 trigger system construction are presented. The comparison between relativistic electron, proton, and gamma-ray energy deposition is described and methods of on-board triggers and trigger markers formation for discrimination between each of other are proposed.

  1. Existence of time-dependent density-functional theory for open electronic systems: time-dependent holographic electron density theorem.

    PubMed

    Zheng, Xiao; Yam, ChiYung; Wang, Fan; Chen, GuanHua

    2011-08-28

    We present the time-dependent holographic electron density theorem (TD-HEDT), which lays the foundation of time-dependent density-functional theory (TDDFT) for open electronic systems. For any finite electronic system, the TD-HEDT formally establishes a one-to-one correspondence between the electron density inside any finite subsystem and the time-dependent external potential. As a result, any electronic property of an open system in principle can be determined uniquely by the electron density function inside the open region. Implications of the TD-HEDT on the practicality of TDDFT are also discussed.

  2. A generalized framework for in-line energy deposition during steady-state Monte Carlo radiation transport

    SciTech Connect

    Griesheimer, D. P.; Stedry, M. H.

    2013-07-01

    A rigorous treatment of energy deposition in a Monte Carlo transport calculation, including coupled transport of all secondary and tertiary radiations, increases the computational cost of a simulation dramatically, making fully-coupled heating impractical for many large calculations, such as 3-D analysis of nuclear reactor cores. However, in some cases, the added benefit from a full-fidelity energy-deposition treatment is negligible, especially considering the increased simulation run time. In this paper we present a generalized framework for the in-line calculation of energy deposition during steady-state Monte Carlo transport simulations. This framework gives users the ability to select among several energy-deposition approximations with varying levels of fidelity. The paper describes the computational framework, along with derivations of four energy-deposition treatments. Each treatment uses a unique set of self-consistent approximations, which ensure that energy balance is preserved over the entire problem. By providing several energy-deposition treatments, each with different approximations for neglecting the energy transport of certain secondary radiations, the proposed framework provides users the flexibility to choose between accuracy and computational efficiency. Numerical results are presented, comparing heating results among the four energy-deposition treatments for a simple reactor/compound shielding problem. The results illustrate the limitations and computational expense of each of the four energy-deposition treatments. (authors)

  3. Comparison of electrostatic and time dependent simulation codes for modeling a pulsed power gun

    SciTech Connect

    Srinivasan-Rao, T.; Smedley, J.; Batchelor, K.; Farrell, J.P.; Dudnikova, G.

    1998-06-01

    This paper is a result of a group of simulations used to determine the optimal parameters for a pulsed power electron gun. As electrostatic codes such as PBGUNS tend to be cheaper, easier to use, and have less stringent computational requirements than time dependent codes such as MAFIA, it was desirable to determine those regimes in which the electrostatic codes agree with time dependent models. It was also necessary to identify those problems that required time dependence, such as longitudinal variation in an electron bunch. PBGUNS was then used to perform the bulk of the optimization, with only those issues that required time dependence being resolved with MAFIA. Good agreement in transverse phase space values was found between the electrostatic code (PBGUNS) and the time dependent code (MAFIA) for a variety of pulse durations, even for pulse durations short compared to the electron transit time of the accelerating region. To obtain values for the longitudinal energy spread and the variation of the transverse phase space across the bunch, it was necessary to use MAFIA. The electrostatic codes have an advantage in terms of required computational resources and run time, and are therefore a good choice for modeling jobs in which the longitudinal energy spread is unimportant.

  4. Effects of feeding prepubertal heifers a high-energy diet for three, six, or twelve weeks on feed intake, body growth, and fat deposition.

    PubMed

    Davis Rincker, L E; Weber Nielsen, M S; Chapin, L T; Liesman, J S; VandeHaar, M J

    2008-05-01

    the heifers fed the high-energy diet and therefore predicted more body gain per unit of energy intake. We concluded that feeding a high-energy diet for a short duration altered body growth and fat deposition in a time-dependent, linear manner consistent with feeding a high-energy diet for a long duration.

  5. Kinetic-energy induced smoothening and delay of epitaxial breakdown in pulsed-laser deposition

    SciTech Connect

    Shin, Byungha; Aziz, Michael J.

    2007-08-15

    We have isolated the effect of kinetic energy of depositing species from the effect of flux pulsing during pulsed-laser deposition (PLD) on surface morphology evolution of Ge(001) homoepitaxy at low temperature (100 deg. C). Using a dual molecular beam epitaxy (MBE) PLD chamber, we compare morphology evolution from three different growth methods under identical experimental conditions except for the differing nature of the depositing flux: (a) PLD with average kinetic energy 300 eV (PLD-KE); (b) PLD with suppressed kinetic energy comparable to thermal evaporation energy (PLD-TH); and (c) MBE. The thicknesses at which epitaxial breakdown occurs are ranked in the order PLD-KE>MBE>PLD-TH; additionally, the surface is smoother in PLD-KE than in MBE. The surface roughness of the films grown by PLD-TH cannot be compared due to the early epitaxial breakdown. These results demonstrate convincingly that kinetic energy is more important than flux pulsing in the enhancement of epitaxial growth, i.e., the reduction in roughness and the delay of epitaxial breakdown.

  6. Fast electron energy deposition in a magnetized plasma: Kinetic theory and particle-in-cell simulation

    SciTech Connect

    Robiche, J.; Rax, J.-M.; Bonnaud, G.; Gremillet, L.

    2010-03-15

    The collisional dynamics of a relativistic electron jet in a magnetized plasma are investigated within the framework of kinetic theory. The relativistic Fokker-Planck equation describing slowing down, pitch angle scattering, and cyclotron rotation is derived and solved. Based on the solution of this Fokker-Planck equation, an analytical formula for the root mean square spot size transverse to the magnetic field is derived and this result predicts a reduction in radial transport. Some comparisons with particle-in-cell simulation are made and confirm striking agreement between the theory and the simulation. For fast electron with 1 MeV typical kinetic energy interacting with a solid density hydrogen plasma, the energy deposition density in the transverse direction increases by a factor 2 for magnetic field of the order of 1 T. Along the magnetic field, the energy deposition profile is unaltered compared with the field-free case.

  7. Method for controlling energy density for reliable pulsed laser deposition of thin films

    SciTech Connect

    Dowden, P. C. E-mail: qxjia@lanl.gov; Bi, Z.; Jia, Q. X. E-mail: qxjia@lanl.gov

    2014-02-15

    We have established a methodology to stabilize the laser energy density on a target surface in pulsed laser deposition of thin films. To control the focused laser spot on a target, we have imaged a defined aperture in the beamline (so called image-focus) instead of focusing the beam on a target based on a simple “lens-focus.” To control the laser energy density on a target, we have introduced a continuously variable attenuator between the output of the laser and the imaged aperture to manipulate the energy to a desired level by running the laser in a “constant voltage” mode to eliminate changes in the lasers’ beam dimensions. This methodology leads to much better controllability/reproducibility for reliable pulsed laser deposition of high performance electronic thin films.

  8. Modeling reaction pathways of low energy particle deposition on thiophene via ab initio calculations

    NASA Astrophysics Data System (ADS)

    Crenshaw, Jasmine D.; Phillpot, Simon R.; Iordanova, Nedialka; Sinnott, Susan B.

    2011-07-01

    Chemical reactions of thiophene with organic molecules are of interest to modify thermally deposited coatings of conductive polymers. Here, energy barriers for reactions involving thiophene and small hydrocarbon radicals are identified. Enthalpies of formation involving reactants are also calculated using the B3LYP, BMK, and B98 hybrid functionals within the G AUSSIAN03 program. Experimental values, G3, and CBS-QB3 calculations are used as standards, due to their accurate thermochemistry parameters. The BMK functional is found to perform best for the selected organic molecules. These results provide insights into the reactivity of several polymerization and deposition processes.

  9. Lime-mud layers in high-energy tidal channels: A record of hurricane deposition

    USGS Publications Warehouse

    Shinn, E.A.; Steinen, R.P.; Dill, R.F.; Major, R.

    1993-01-01

    During or immediately following the transit of Hurricane Andrew (August 23-24, 1992) across the northern part of the Great Bahama Bank, thin laminated beds of carbonate mud were deposited in high-energy subtidal channels (4 m depth) through the ooid shoals of south Cat Cay and Joulters Cays. Thicker, more cohesive (and therefore older) mud beds and angular mud fragments associated with ooids from Joulters Cays have similar characteristics but lack fresh plant fragments. We infer that these older beds were similarly deposited and thus record the passage of previous hurricanes or tropical storms. -from Authors

  10. Measuring the energy flux at the substrate position during magnetron sputter deposition processes

    SciTech Connect

    Cormier, P.-A.; Thomann, A.-L.; Dussart, R.; Semmar, N.; Mathias, J.; Balhamri, A.; Snyders, R.; Konstantinidis, S.

    2013-01-07

    In this work, the energetic conditions at the substrate were investigated in dc magnetron sputtering (DCMS), pulsed dc magnetron sputtering (pDCMS), and high power impulse magnetron sputtering (HiPIMS) discharges by means of an energy flux diagnostic based on a thermopile sensor, the probe being set at the substrate position. Measurements were performed in front of a titanium target for a highly unbalanced magnetic field configuration. The average power was always kept to 400 W and the probe was at the floating potential. Variation of the energy flux against the pulse peak power in HiPIMS was first investigated. It was demonstrated that the energy per deposited titanium atom is the highest for short pulses (5 {mu}s) high pulse peak power (39 kW), as in this case, the ion production is efficient and the deposition rate is reduced by self-sputtering. As the argon pressure is increased, the energy deposition is reduced as the probability of scattering in the gas phase is increased. In the case of the HiPIMS discharge run at moderate peak power density (10 kW), the energy per deposited atom was found to be lower than the one measured for DCMS and pDCMS discharges. In these conditions, the HiPIMS discharge could be characterized as soft and close to a pulsed DCMS discharge run at very low duty cycle. For the sake of comparison, measurements were also carried out in DCMS mode with a balanced magnetron cathode, in the same working conditions of pressure and power. The energy flux at the substrate is significantly increased as the discharge is generated in an unbalanced field.

  11. Information theories for time-dependent harmonic oscillator

    SciTech Connect

    Choi, Jeong Ryeol; Kim, Min-Soo; Kim, Daeyeoul; Maamache, Mustapha; Menouar, Salah; Nahm, In Hyun

    2011-06-15

    Highlights: > Information theories for the general time-dependent harmonic oscillator based on invariant operator method. > Time dependence of entropies and entropic uncertainty relation. > Characteristics of Shannon information and Fisher information. > Application of information theories to particular systems that have time-dependent behavior. - Abstract: Information theories for the general time-dependent harmonic oscillator are described on the basis of invariant operator method. We obtained entropic uncertainty relation of the system and discussed whether it is always larger than or equal to the physically allowed minimum value. Shannon information and Fisher information are derived by means of density operator that satisfies Liouville-von Neumann equation and their characteristics are investigated. Shannon information is independent of time, but Fisher information is explicitly dependent on time as the time functions of the Hamiltonian vary. We can regard that the Fisher information is a local measure since its time behavior is largely affected by local arrangements of the density, whilst the Shannon information plays the role of a global measure of the spreading of density. To promote the understanding, our theory is applied to special systems, the so-called quantum oscillator with time-dependent frequency and strongly pulsating mass system.

  12. Time-dependent stochastic Bethe-Salpeter approach

    NASA Astrophysics Data System (ADS)

    Rabani, Eran; Baer, Roi; Neuhauser, Daniel

    2015-06-01

    A time-dependent formulation for electron-hole excitations in extended finite systems, based on the Bethe-Salpeter equation (BSE), is developed using a stochastic wave function approach. The time-dependent formulation builds on the connection between time-dependent Hartree-Fock (TDHF) theory and the configuration-interaction with single substitution (CIS) method. This results in a time-dependent Schrödinger-like equation for the quasiparticle orbital dynamics based on an effective Hamiltonian containing direct Hartree and screened exchange terms, where screening is described within the random-phase approximation (RPA). To solve for the optical-absorption spectrum, we develop a stochastic formulation in which the quasiparticle orbitals are replaced by stochastic orbitals to evaluate the direct and exchange terms in the Hamiltonian as well as the RPA screening. This leads to an overall quadratic scaling, a significant improvement over the equivalent symplectic eigenvalue representation of the BSE. Application of the time-dependent stochastic BSE (TDsBSE) approach to silicon and CdSe nanocrystals up to size of ≈3000 electrons is presented and discussed.

  13. Photodetachment dynamics in a time-dependent oscillating electric field

    NASA Astrophysics Data System (ADS)

    Wang, De-hua; Xu, Qin-feng; Du, Jie

    2017-03-01

    Using the time-dependent form of closed orbit theory, as developed by Haggerty and Delos [M.R. Haggerty, J.B. Delos, Phys. Rev. A 61, 053406 (2000)], and by Yang and Robicheaux [B.C. Yang, F. Robicheaux, Phys. Rev. A 93, 053413 (2016)], we study the photodetachment dynamics of a hydrogen negative ion in a time-dependent oscillating electric field. Compared to the photodetachment in a static electric field, the photodetachment dynamics of a negative ion in the time-dependent oscillating electric field become much more complicated but more interesting. Since the applied electric field is oscillating with time, the photodetachment cross section of the negative ion in the oscillating electric field is time-dependent. In a time-dependent framework, we put forward an analytical formula for calculating the instantaneous photodetachment cross section of this system. Our study suggests that the instantaneous photodetachment cross section exhibits oscillatory structure, which depends sensitively on the frequency of the oscillating electric field. With increasing frequency of the oscillating electric field, the number of closed orbits increases and the oscillatory structure in the photodetachment cross section becomes much more complicated. The connection between the detached electron's closed orbit with the oscillating cross section is analyzed quantitatively. This study provides a clear and intuitive picture for the photodetachment processes of a negative ion in the presence of an oscillating electric field. We hope that our work will be useful in guiding future experimental research.

  14. Assessing Locations of Energy Transfer/Deposit in the Ionosphere-Thermosphere System

    NASA Astrophysics Data System (ADS)

    Tu, J.; Song, P.

    2014-12-01

    It has long been believed that most of energy transferred from the magnetosphere and deposited in the ionosphere-thermosphere system occurs in the auroral zone, the region of strong field-aligned current density. Recent observations of the Poynting flux to the ionosphere and theoretical investigations of the magnetosphere-ionosphere coupling show that the strongest energy transfer may be in the polar cap proper where the plasma flow speed is high and not where the flow reverses. This implies that the field-aligned current is not the primary agent of the energy transfer into the ionosphere-thermosphere system and that other physical progresses are at play. Recent simulation studies using an inductive-dynamic approach (including self-consistent solutions of Faraday's law and retaining inertia terms in the ion momentum equations) on the magnetosphere-ionosphere-thermosphere coupling indicate that the energy transfer is through Alfven waves propagating to the ionosphere/thermosphere and the energy deposition is via the frictional heating caused by relative motion between ions and neutrals. In this study we assess the locations of the energy transfer and deposition by employing a self-consistent inductive-dynamic ionosphere-thermosphere model. In a 2-D numerical simulation (dawn-dusk meridian plane), we solve the continuity, momentum, and energy equations for multiple species of ions and neutrals including photochemistry and Maxwell's equations. By simulating responses of the ionosphere-thermosphere system to enhanced magnetosphere convection, we show that the strongest energy transfer occurs in the polar cap proper instead of the auroral zone.

  15. Reversible and Irreversible Time-Dependent Behavior of GRCop-84

    NASA Technical Reports Server (NTRS)

    Lerch, Bradley A.; Arnold, Steven M.; Ellis, David L.

    2017-01-01

    A series of mechanical tests were conducted on a high-conductivity copper alloy, GRCop-84, in order to understand the time dependent response of this material. Tensile, creep, and stress relaxation tests were performed over a wide range of temperatures, strain rates, and stress levels to excite various amounts of time-dependent behavior. At low applied stresses the deformation behavior was found to be fully reversible. Above a certain stress, termed the viscoelastic threshold, irreversible deformation was observed. At these higher stresses the deformation was observed to be viscoplastic. Both reversible and irreversible regions contained time dependent deformation. These experimental data are documented to enable characterization of constitutive models to aid in design of high temperature components.

  16. Time-dependent density functional theory for quantum transport.

    PubMed

    Zheng, Xiao; Chen, GuanHua; Mo, Yan; Koo, SiuKong; Tian, Heng; Yam, ChiYung; Yan, YiJing

    2010-09-21

    Based on our earlier works [X. Zheng et al., Phys. Rev. B 75, 195127 (2007); J. S. Jin et al., J. Chem. Phys. 128, 234703 (2008)], we propose a rigorous and numerically convenient approach to simulate time-dependent quantum transport from first-principles. The proposed approach combines time-dependent density functional theory with quantum dissipation theory, and results in a useful tool for studying transient dynamics of electronic systems. Within the proposed exact theoretical framework, we construct a number of practical schemes for simulating realistic systems such as nanoscopic electronic devices. Computational cost of each scheme is analyzed, with the expected level of accuracy discussed. As a demonstration, a simulation based on the adiabatic wide-band limit approximation scheme is carried out to characterize the transient current response of a carbon nanotube based electronic device under time-dependent external voltages.

  17. Quadratic time dependent Hamiltonians and separation of variables

    NASA Astrophysics Data System (ADS)

    Anzaldo-Meneses, A.

    2017-06-01

    Time dependent quantum problems defined by quadratic Hamiltonians are solved using canonical transformations. The Green's function is obtained and a comparison with the classical Hamilton-Jacobi method leads to important geometrical insights like exterior differential systems, Monge cones and time dependent Gaussian metrics. The Wei-Norman approach is applied using unitary transformations defined in terms of generators of the associated Lie groups, here the semi-direct product of the Heisenberg group and the symplectic group. A new explicit relation for the unitary transformations is given in terms of a finite product of elementary transformations. The sequential application of adequate sets of unitary transformations leads naturally to a new separation of variables method for time dependent Hamiltonians, which is shown to be related to the Inönü-Wigner contraction of Lie groups. The new method allows also a better understanding of interacting particles or coupled modes and opens an alternative way to analyze topological phases in driven systems.

  18. Full-counting statistics of time-dependent conductors

    NASA Astrophysics Data System (ADS)

    Benito, Mónica; Niklas, Michael; Kohler, Sigmund

    2016-11-01

    We develop a scheme for the computation of the full-counting statistics of transport described by Markovian master equations with an arbitrary time dependence. It is based on a hierarchy of generalized density operators, where the trace of each operator yields one cumulant. This direct relation offers a better numerical efficiency than the equivalent number-resolved master equation. The proposed method is particularly useful for conductors with an elaborate time dependence stemming, e.g., from pulses or combinations of slow and fast parameter switching. As a test bench for the evaluation of the numerical stability, we consider time-independent problems for which the full-counting statistics can be computed by other means. As applications, we study cumulants of higher order for two time-dependent transport problems of recent interest, namely steady-state coherent transfer by adiabatic passage (CTAP) and Landau-Zener-Stückelberg-Majorana (LZSM) interference in an open double quantum dot.

  19. A modular method to handle multiple time-dependent quantities in Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Shin, J.; Perl, J.; Schümann, J.; Paganetti, H.; Faddegon, B. A.

    2012-06-01

    A general method for handling time-dependent quantities in Monte Carlo simulations was developed to make such simulations more accessible to the medical community for a wide range of applications in radiotherapy, including fluence and dose calculation. To describe time-dependent changes in the most general way, we developed a grammar of functions that we call ‘Time Features’. When a simulation quantity, such as the position of a geometrical object, an angle, a magnetic field, a current, etc, takes its value from a Time Feature, that quantity varies over time. The operation of time-dependent simulation was separated into distinct parts: the Sequence samples time values either sequentially at equal increments or randomly from a uniform distribution (allowing quantities to vary continuously in time), and then each time-dependent quantity is calculated according to its Time Feature. Due to this modular structure, time-dependent simulations, even in the presence of multiple time-dependent quantities, can be efficiently performed in a single simulation with any given time resolution. This approach has been implemented in TOPAS (TOol for PArticle Simulation), designed to make Monte Carlo simulations with Geant4 more accessible to both clinical and research physicists. To demonstrate the method, three clinical situations were simulated: a variable water column used to verify constancy of the Bragg peak of the Crocker Lab eye treatment facility of the University of California, the double-scattering treatment mode of the passive beam scattering system at Massachusetts General Hospital (MGH), where a spinning range modulator wheel accompanied by beam current modulation produces a spread-out Bragg peak, and the scanning mode at MGH, where time-dependent pulse shape, energy distribution and magnetic fields control Bragg peak positions. Results confirm the clinical applicability of the method.

  20. High energy conversion efficiency in laser-proton acceleration by controlling laser-energy deposition onto thin foil targets

    NASA Astrophysics Data System (ADS)

    Brenner, C. M.; Robinson, A. P. L.; Markey, K.; Scott, R. H. H.; Gray, R. J.; Rosinski, M.; Deppert, O.; Badziak, J.; Batani, D.; Davies, J. R.; Hassan, S. M.; Lancaster, K. L.; Li, K.; Musgrave, I. O.; Norreys, P. A.; Pasley, J.; Roth, M.; Schlenvoigt, H.-P.; Spindloe, C.; Tatarakis, M.; Winstone, T.; Wolowski, J.; Wyatt, D.; McKenna, P.; Neely, D.

    2014-02-01

    An all-optical approach to laser-proton acceleration enhancement is investigated using the simplest of target designs to demonstrate application-relevant levels of energy conversion efficiency between laser and protons. Controlled deposition of laser energy, in the form of a double-pulse temporal envelope, is investigated in combination with thin foil targets in which recirculation of laser-accelerated electrons can lead to optimal conditions for coupling laser drive energy into the proton beam. This approach is shown to deliver a substantial enhancement in the coupling of laser energy to 5-30 MeV protons, compared to single pulse irradiation, reaching a record high 15% conversion efficiency with a temporal separation of 1 ps between the two pulses and a 5 μm-thick Au foil. A 1D simulation code is used to support and explain the origin of the observation of an optimum pulse separation of ˜1 ps.

  1. Laser energy density, structure and properties of pulsed-laser deposited zinc oxide films

    NASA Astrophysics Data System (ADS)

    Tsoutsouva, M. G.; Panagopoulos, C. N.; Kompitsas, M.

    2011-05-01

    Zinc oxide thin films were deposited on soda lime glass substrates by pulsed laser deposition in an oxygen-reactive atmosphere at 20 Pa and a constant substrate temperature at 300 °C. A pulsed KrF excimer laser, operated at 248 nm with pulse duration 10 ns, was used to ablate the ceramic zinc oxide target. The structure, the optical and electrical properties of the as-deposited films were studied in dependence of the laser energy density in the 1.2-2.8 J/cm 2 range, with the aid of X-ray Diffraction, Atomic Force Microscope, Transmission Spectroscopy techniques, and the Van der Pauw method, respectively. The results indicated that the structural and optical properties of the zinc oxide films were improved by increasing the laser energy density of the ablating laser. The surface roughness of the zinc oxide film increased with the decrease of laser energy density and both the optical bang gap and the electrical resistivity of the film were significantly affected by the laser energy density.

  2. Measurement of Runaway Electron Plateau Final Loss Energy Deposition into Wall of DIII-D

    NASA Astrophysics Data System (ADS)

    Hollmann, E. M.; Bykov, I.; Moyer, R. A.; Rudakov, D. L.; Commaux, N.; Shiraki, D.; Lasnier, C.; Martin-Solis, R.; Cooper, C.; Eidietis, N.; Parks, P.; Paz-Soldan, C.

    2016-10-01

    Intentional runaway electron (RE) plateau-wall strikes with different initial impurity levels are used to study the effect of background plasma relativistic electron Z (as well as plasma resistivity for slow electrons) on RE-wall loss dynamics. RE wall loss time is found to be close to the avalanche time (meC/eE| |) 1 nλ √{ 3 (Z + 5) / π } , consistent with REs being lost by a series of MHD reconnection events, with timescale limited by current profile filling via avalanche. Local kinetic energy deposition is estimated with both hard x-ray emission and with infra-red imaging. At higher plasma impurity levels Z 10 , energy deposition appears to be consistent with power balance estimates, as long as collisional dissipation during the final loss event is included. At low impurity levels Z 1 , however, local energy deposition appears around 10 × less than expected, indicating that the energy dissipation at low Z is still poorly understood. Work supported by the US DOE under DE-FG02-07ER54917, DE-AC05-00OR22725, DE-AC52-07NA27344, DE-FC02-04ER54698.

  3. Influence of emitter temperature on the energy deposition in a low-pressure plasma

    SciTech Connect

    Levko, Dmitry; Raja, Laxminarayan L.

    2016-03-15

    The influence of emitter temperature on the energy deposition into low-pressure plasma is studied by the self-consistent one-dimensional Particle-in-Cell Monte Carlo Collisions model. Depending on the emitter temperature, different modes of discharge operation are obtained. The mode type depends on the plasma frequency and does not depend on the ratio between the densities of beam and plasma electrons. Namely, plasma is stable when the plasma frequency is small. For this plasma, the energy transfer from emitted electrons to plasma electrons is inefficient. The increase in the plasma frequency results first in the excitation of two-stream electron instability. However, since the thermal velocity of plasma electrons is smaller than the electrostatic wave velocity, the resonant wave-particle interaction is inefficient for the energy deposition into the plasma. Further increase in the plasma frequency leads to the distortion of beam of emitted electrons. Then, the electrostatic wave generated due to two-stream instability decays into multiple slower waves. Phase velocities of these waves are comparable with the thermal velocity of plasma electrons which makes possible the resonant wave-particle interaction. This results in the efficient energy deposition from emitted electrons into the plasma.

  4. Evolution of energy deposition during glass cutting with pulsed femtosecond laser radiation

    NASA Astrophysics Data System (ADS)

    Kalupka, C.; Großmann, D.; Reininghaus, M.

    2017-05-01

    We report on investigations of the energy deposition in the volume of thin glass during an ablation cutting process with pulsed femtosecond laser radiation by time-resolved pump-probe shadowgraphy. For a single laser pulse, the temporal evolution of the transient electronic excitation of the glass volume is imaged up to 10 ps after initial excitation. For an increasing number of laser pulses, the spatial excitation of the glass volume significantly changes compared to single pulse irradiation. Sharp spikes are observed, which reduce the transmission of the illuminating probe pulse. This indicates local maxima of the absorption and, therefore, energy deposition of the pump pulse energy in the glass volume. Furthermore, for an increasing number of pulses, different shapes of the surface ablation crater are observed. To study the correlation between the shape of the surface ablation crater and the energy deposition in the glass volume, simulations of the spatial intensity distribution of the pump pulse are executed by means of linear beam propagation method. We show that the transient excitation spikes observed by pump-probe shadowgraphy can be explained by refraction and diffraction of the laser radiation at the surface ablation crater. Our results provide an experimental validation for the physical reason of an ablation stop for an ablation cutting process. Moreover, the simulations allow for the prediction of damage inside the glass volume.

  5. Correlation between energy deposition and AlN crystal growth induced by ion bombardment

    NASA Astrophysics Data System (ADS)

    Kenzo, Kobayashi; Masaya, Iwaki; Takanobu, Fujihana

    1991-07-01

    A study has been made of the effects of ion (He, O, N and Ne) bombardment on the crystallization of AlN. AlN 0.8 thin films 100 nm thick were deposited on Si (111) wafers by an activated reactive evaporation method in a nitrogen atmosphere. He, O, N and Ne ions were bombarded onto films at room temperature to a dose of 5 × 10 17 ions/cm 2, using an energy of 150 keV. This energy was chosen to place the average projected range of the ions in the substrate interior. XRD measurements were carried out using CuK α radiation (40 keV, 30 mA). The quantities of energy deposited in the films, through ionization and by recoil atoms, were calculated using TRIM-88. It is concluded that ion bombardment of AlN 0.8 thin films causes crystal growth of AlN, with the c-axis oriented perpendicular to the substrate plane, near to room temperature without any thermal annealing. Energy deposition through the ionization plays an essential role in the crystallization of AlN in AlN x thin films.

  6. Energy Deposition and Condition of the Metal Core in Exploding Wire Experiments

    NASA Astrophysics Data System (ADS)

    Sarkisov, G. S.; Rosenthal, S. E.; Struve, K. W.; McDaniel, D. H.; Waisman, E. M.; Sasorov, P. V.

    2002-11-01

    Measurements of the Joule energy deposition into exploding wire and its relation with condition of the expanding wire core are presented. Wires of nine different metals with diameters of 10-30 microns, have been exploded by fast 150A/ns and slow 20A/ns pulses, in vacuum and in air. It has been shown by interferometry and light emission that expanding wire core has different conditions. The substances with small atomization enthalpy (Ag, Al, Cu, Au) demonstrate full vaporization of the wire core. The refractory metals (Ti, Pt, Mo, W) demonstrates that core consists from vapor and small and hot microparticles. In this case we observe "firework effect" when large radiation from the wire exceed the energy deposition time in a three order of magnitude. For non-refractory metals radiation dropping fast in 100 ns time scale due to effective adiabatic cooling. It is possible if main part of the metal core was vaporized. The interferometrical investigation of the refraction coefficient of expanding metal core is proof this conclusion. It has been shown that energy deposition before surface breakdown dependent strongly from current rate, surface coatings, environment, wire diameter and radial electric field. The regime of wire explosion in vacuum without shunting plasma shell has been realized for fast exploding mode. In this case we observe anomaly high energy deposition in to the wire core exceeding regular value in almost 20 times. The experimental results for Al wire have been compared with ALEGRA 2D MHD simulations. *Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL8500.

  7. Two-stream instability with time-dependent drift velocity

    DOE PAGES

    Qin, Hong; Davidson, Ronald C.

    2014-06-26

    The classical two-stream instability driven by a constant relative drift velocity between two plasma components is extended to the case with time-dependent drift velocity. A solution method is developed to rigorously define and calculate the instability growth rate for linear perturbations relative to the time-dependent unperturbed two-stream motions. The stability diagrams for the oscillating two-stream instability are presented over a large region of parameter space. It is shown that the growth rate for the classical two-stream instability can be significantly reduced by adding an oscillatory component to the relative drift velocity.

  8. Updated Time Dependent Sensitivity Corrections for STIS Spectral Modes

    NASA Astrophysics Data System (ADS)

    Carlberg, Joleen K.; Monroe, TalaWanda

    2017-09-01

    The sensitivities of the STIS CCD and MAMA detectors have been slowly changing over time, and these changes vary with wavelength. The STIS time dependent sensitivity monitors track these changes, which must be corrected to allow accurate flux calibration and exposure time calculation. Here, we present updated calculations of the time dependent relationships using data obtained through mid-Cycle 24. We also retested the validity of applying the relationships derived with the lower resolution spectra to the medium resolution first order modes and echelle modes, for which we find reasonable agreement in most of the modes.

  9. Direct imaging of small scatterers using reduced time dependent data

    NASA Astrophysics Data System (ADS)

    Cakoni, Fioralba; Rezac, Jacob D.

    2017-06-01

    We introduce qualitative methods for locating small objects using time dependent acoustic near field waves. These methods have reduced data collection requirements compared to typical qualitative imaging techniques. In particular, we only collect scattered field data in a small region surrounding the location from which an incident field was transmitted. The new methods are partially theoretically justified and numerical simulations demonstrate their efficacy. We show that these reduced data techniques give comparable results to methods which require full multistatic data and that these time dependent methods require less scattered field data than their time harmonic analogs.

  10. Time-dependent Bragg diffraction by multilayer gratings

    NASA Astrophysics Data System (ADS)

    André, Jean-Michel; Jonnard, Philippe

    2016-01-01

    Time-dependent Bragg diffraction by multilayer gratings working by reflection or by transmission is investigated. The study is performed by generalizing the time-dependent coupled-wave theory previously developed for one-dimensional photonic crystals (André J-M and Jonnard P 2015 J. Opt. 17 085609) and also by extending the Takagi-Taupin approach of the dynamical theory of diffraction. The indicial response is calculated. It presents a time delay with a transient time that is a function of the extinction length for reflection geometry and of the extinction length combined with the thickness of the grating for transmission geometry.

  11. Choice of Variables and Preconditioning for Time Dependent Problems

    NASA Technical Reports Server (NTRS)

    Turkel, Eli; Vatsa, Verr N.

    2003-01-01

    We consider the use of low speed preconditioning for time dependent problems. These are solved using a dual time step approach. We consider the effect of this dual time step on the parameter of the low speed preconditioning. In addition, we compare the use of two sets of variables, conservation and primitive variables, to solve the system. We show the effect of these choices on both the convergence to a steady state and the accuracy of the numerical solutions for low Mach number steady state and time dependent flows.

  12. Quantum fluid density functional theory of time-dependent phenomena: Ion-atom collisions

    NASA Astrophysics Data System (ADS)

    Deb, B. M.; Chattaraj, P. K.

    1988-07-01

    Using a recently proposed kinetic energy density functional and an amalgamation of density functional theory with quantum fluid dynamics, a time-dependent Kohn-Sham-type equation in three-dimensional space, which is a new non-linear Schrödinger equation, has been derived. The equation is also derived through the stochastic interpretation of quantum mechanics. A molecular "thermodynamic" viewpoint is suggested in terms of space-time-dependent quantities. Numerical solution of the above equation yields the time-dependent charge density, current density, effective potential and chemical potential. Perspective plots of these quantities for the proton-neon 25 keV head-on collision are presented.

  13. Time-dependent modes associated with finite time instabilities in unstable fluid flows

    NASA Astrophysics Data System (ADS)

    Babaee, Hessam; Sapsis, Themistoklis

    2015-11-01

    We apply a recently developed variational formulation for the determination of a finite-dimensional, time-dependent, orthonormal basis that captures the directions associated with finite-time instabilities. We demonstrate the capability of the method for two problems: the Orr-Sommerfeld/Squire operator and the vertical jet in crossflow. In the first problem we demonstrate that the time-dependent subspace captures the strongly transient non-normal energy growth (in the short time regime), while for longer times the modes capture the expected asymptotic behavior of the dynamics. We also consider the vertical jet in crossflow at the jet Reynolds number of Rej = 900 . We demonstrate that the subspace instantaneously captures the most unstable directions of the time-dependent flow. We explore the connection between the shear flow, non-normal growth and persistent instabilities. Supported by ARO Award # 66710-EG-YIP.

  14. Time-Dependent Lattice Methods for Ion-Atom Collisions in Cartesian and Cylindrical Coordinate Systems

    SciTech Connect

    Pindzola, Michael S; Schultz, David Robert

    2008-01-01

    Time-dependent lattice methods in both Cartesian and cylindrical coordinates are applied to calculate excitation cross sections for p+H collisions at 40 keV incident energy. The time-dependent Schroedinger equation is solved using a previously formulated Cartesian coordinate single-channel method on a full 3D lattice and a newly formulated cylindrical coordinate multichannel method on a set of coupled 2D lattices. Cartesian coordinate single-channel and cylindrical coordinate five-channel calculations are found to be in reasonable agreement for excitation cross sections from the 1s ground state to the 2s, 2p, 3s, 3p, and 3d excited states. For extension of the time-dependent lattice method to handle the two electron dynamics found in p+He collisions, the cylindrical coordinate multichannel method appears promising due to the reduced dimensionality of its lattice.

  15. Energy deposition model based on electron scattering cross section data from water molecules

    NASA Astrophysics Data System (ADS)

    Muñoz, A.; Oiler, J. C.; Blanco, F.; Gorfinkiel, J. D.; Limão-Vieira, P.; Maira-Vidal, A.; Borge, M. J. G.; Tengblad, O.; Huerga, C.; Téllez, M.; García, G.

    2008-10-01

    A complete set of electrons scattering cross sections by water molecules over a broad energy range, from the me V to the Me V ranges, is presented in this study. These data have been obtained by combining experiments and calculations and cover most relevant processes, both elastic and inelastic, which can take place in the considered energy range. A new Monte Carlo simulation programme has been developed using as input parameter these cross sectional data as well as experimental energy loss spectra. The simulation procedure has been applied to obtain electron tracks and energy deposition plots in water when irradiated by a Ru-106 plaque as those used for brachyteraphy of ocular tumours. Finally, the low energy electron tracks provided by the present model have been compared with those obtained with other codes available in the literature

  16. In-situ monitoring by reflective high energy electron diffraction during pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Blank, Dave H. A.; Rijnders, Guus J. H. M.; Koster, Gertjan; Rogalla, Horst

    1999-01-01

    Pulsed laser deposition (PLD) has developed during the past decade from a fast but limited preparation tool towards a competitive thin film deposition technique. One of the advantages above other techniques is the possibility of growth at relative high background pressure. There is a large freedom in choosing which kind of gas. Moreover, in a number of applications, the gaseous species in the background pressure are part of the elements to be grown, e.g., oxygen in the case of high Tc superconductors. However, the advantage of relative high pressures leads to restrictions of using standard diagnostics and monitoring of the film growth, e.g., reflective high energy electron diffraction (RHEED). Here, a PLD chamber including an in-situ RHEED system is presented, which makes it possible to monitor and study the growth at standard PLD parameters. Using a two-stages differential pumped, magnetically shielded, extension tube mounted at the electron gun side and a special designed phosphor screen including CCD camera, real time monitoring by observation of RHEED oscillations could be established at pressures up to 50 Pa. In this paper the latest results on applying this technique on SrTiO 3 and YBa 2Cu 3O 7 will be presented. Additional to the usual diagnostics performed with RHEED, another phenomena can be observed. The pulsed way of deposition, characteristic for PLD, leads to relaxations in the intensity of the diffracted pattern due to the mobility of the deposited material. These relaxation times give extra information about relaxation, crystallization, and nucleation of the deposited material. The presented technique leads to a better understanding of the growth during pulsed laser deposition and, because of the possibility to monitor the growth, will make PLD competitive with other deposition techniques.

  17. Deposition of carbonate mud beds within high-energy subtidal sand Dunes, Bahamas

    SciTech Connect

    Dill, R.F.; Steinen, R.P.

    1988-01-01

    Laminated, carbonate mud beds are being deposited in the interisland channels of the Exuma Cays in the Bahamas. They are associated with stromatolites and interbedded with ooid sands that form large migrating subtidal dunes on flood tidal deltas and bars. Currents up to 3 knots sweep in and out of the 4-8 m deep channels 3 hours out of every 6 hours, creating a high-energy bank margin environment not usually considered to be the site of mud-sized particle deposition. Mud deposits reach thicknesses of 1 m and have individual beds 2-5 cm thick. When exposed to flowing seawater, bed surfaces become encrusted with carbonate cement and algal mats. The white interior of mud beds between the crusts appears homogeneous, is soft, and has the consistency of ''tooth paste.'' Loose uncemented ooid sand is found above and below the mud beds, showing that both are occupying the same depositional environment. Rip-up clasts of the crusted mud beds, formed by scour of underlying sands, are carried throughout the channels and accumulate as a lag deposit within the troughs of migrating dunes. Some clasts are colonized by algal mats that trap ooid and skeletal sands forming stromatolite structures that can grow up to 2 m high.

  18. The Time-Dependent Chemistry of Cometary Debris in the Solar Corona

    NASA Technical Reports Server (NTRS)

    Pesnell, W. D.; Bryans, P.

    2015-01-01

    Recent improvements in solar observations have greatly progressed the study of sungrazing comets. They can now be imaged along the entirety of their perihelion passage through the solar atmosphere, revealing details of their composition and structure not measurable through previous observations in the less volatile region of the orbit further from the solar surface. Such comets are also unique probes of the solar atmosphere. The debris deposited by sungrazers is rapidly ionized and subsequently influenced by the ambient magnetic field. Measuring the spectral signature of the deposited material highlights the topology of the magnetic field and can reveal plasma parameters such as the electron temperature and density. Recovering these variables from the observable data requires a model of the interaction of the cometary species with the atmosphere through which they pass. The present paper offers such a model by considering the time-dependent chemistry of sublimated cometary species as they interact with the solar radiation field and coronal plasma. We expand on a previous simplified model by considering the fully time-dependent solutions of the emitting species' densities. To compare with observations, we consider a spherically symmetric expansion of the sublimated material into the corona and convert the time-dependent ion densities to radial profiles. Using emissivities from the CHIANTI database and plasma parameters derived from a magnetohydrodynamic simulation leads to a spatially dependent emission spectrum that can be directly compared with observations. We find our simulated spectra to be consistent with observation.

  19. The Time-Dependent Chemistry of Cometary Debris in the Solar Corona

    NASA Technical Reports Server (NTRS)

    Pesnell, W. D.; Bryans, P.

    2015-01-01

    Recent improvements in solar observations have greatly progressed the study of sungrazing comets. They can now be imaged along the entirety of their perihelion passage through the solar atmosphere, revealing details of their composition and structure not measurable through previous observations in the less volatile region of the orbit further from the solar surface. Such comets are also unique probes of the solar atmosphere. The debris deposited by sungrazers is rapidly ionized and subsequently influenced by the ambient magnetic field. Measuring the spectral signature of the deposited material highlights the topology of the magnetic field and can reveal plasma parameters such as the electron temperature and density. Recovering these variables from the observable data requires a model of the interaction of the cometary species with the atmosphere through which they pass. The present paper offers such a model by considering the time-dependent chemistry of sublimated cometary species as they interact with the solar radiation field and coronal plasma. We expand on a previous simplified model by considering the fully time-dependent solutions of the emitting species' densities. To compare with observations, we consider a spherically symmetric expansion of the sublimated material into the corona and convert the time-dependent ion densities to radial profiles. Using emissivities from the CHIANTI database and plasma parameters derived from a magnetohydrodynamic simulation leads to a spatially dependent emission spectrum that can be directly compared with observations. We find our simulated spectra to be consistent with observation.

  20. The time-dependent chemistry of cometary debris in the solar corona

    SciTech Connect

    Pesnell, W. D.; Bryans, P.

    2014-04-10

    Recent improvements in solar observations have greatly progressed the study of sungrazing comets. They can now be imaged along the entirety of their perihelion passage through the solar atmosphere, revealing details of their composition and structure not measurable through previous observations in the less volatile region of the orbit further from the solar surface. Such comets are also unique probes of the solar atmosphere. The debris deposited by sungrazers is rapidly ionized and subsequently influenced by the ambient magnetic field. Measuring the spectral signature of the deposited material highlights the topology of the magnetic field and can reveal plasma parameters such as the electron temperature and density. Recovering these variables from the observable data requires a model of the interaction of the cometary species with the atmosphere through which they pass. The present paper offers such a model by considering the time-dependent chemistry of sublimated cometary species as they interact with the solar radiation field and coronal plasma. We expand on a previous simplified model by considering the fully time-dependent solutions of the emitting species' densities. To compare with observations, we consider a spherically symmetric expansion of the sublimated material into the corona and convert the time-dependent ion densities to radial profiles. Using emissivities from the CHIANTI database and plasma parameters derived from a magnetohydrodynamic simulation leads to a spatially dependent emission spectrum that can be directly compared with observations. We find our simulated spectra to be consistent with observation.

  1. Linear-response calculation in the time-dependent density functional theory

    SciTech Connect

    Nakatsukasa, Takashi; Inakura, Tsunenori; Avogadro, Paolo; Ebata, Shuichiro; Sato, Koichi; Yabana, Kazuhiro

    2012-11-12

    Linear response calculations based on the time-dependent density-functional theory are presented. Especially, we report results of the finite amplitude method which we have recently proposed as an alternative and feasible approach to the (quasiparticle-)random-phase approximation. Calculated properties of the giant resonances and low-energy E1 modes are discussed. We found a universal linear correlation between the low-energy E1 strength and the neutron skin thickness.

  2. Electron transmission through bilayer graphene: A time-dependent first-principles study

    NASA Astrophysics Data System (ADS)

    Miyauchi, Hironari; Ueda, Yoshihiro; Suzuki, Yasumitsu; Watanabe, Kazuyuki

    2017-03-01

    Incident-energy-dependent electron transmittances through single-layer graphene (SLG) and bilayer graphene (BLG) were investigated using time-dependent density functional theory. The transmittances of BLG with two kinds of stacking exhibit an unexpected crossing at a certain incident electron energy. The behavior is preserved for the BLG with reduced or increased layer distances compared to that of typical BLG. We determined the origin of the crossing by investigating transmission electron diffraction patterns for SLG.

  3. Characteristic properties of the Casimir free energy for metal films deposited on metallic plates

    NASA Astrophysics Data System (ADS)

    Klimchitskaya, G. L.; Mostepanenko, V. M.

    2016-04-01

    The Casimir free energy and pressure of thin metal films deposited on metallic plates are considered using the Lifshitz theory and the Drude and plasma model approaches to the role of conduction electrons. The bound electrons are taken into account by using the complete optical data of film and plate metals. It is shown that for films of several tens of nanometers thickness the Casimir free energy and pressure calculated using these approaches differ by hundreds and thousands percent and can be easily discriminated experimentally. According to our results, the free energy of a metal film does not vanish in the limiting case of ideal metal if the Drude model approach is used in contradiction with the fact that the fluctuating field cannot penetrate in its interior. Numerical computations of the Casimir free energy and pressure of Ag and Au films deposited on Cu and Al plates have been performed using both theoretical approaches. It is shown that the free energy of a film can be both negative and positive depending on the metals used. For a Au film on a Ag plate and vice versa the Casimir energy of a film changes its sign with increasing film thickness. Applications of the obtained results for resolving the Casimir puzzle and the problem of stability of thin films are discussed.

  4. Pulse Shape and Timing Dependence on the Spike-Timing Dependent Plasticity Response of Ion-Conducting Memristors as Synapses

    PubMed Central

    Campbell, Kristy A.; Drake, Kolton T.; Barney Smith, Elisa H.

    2016-01-01

    Ion-conducting memristors comprised of the layered materials Ge2Se3/SnSe/Ag are promising candidates for neuromorphic computing applications. Here, the spike-timing dependent plasticity (STDP) application is demonstrated for the first time with a single memristor type operating as a synapse over a timescale of 10 orders of magnitude, from nanoseconds through seconds. This large dynamic range allows the memristors to be useful in applications that require slow biological times, as well as fast times such as needed in neuromorphic computing, thus allowing multiple functions in one design for one memristor type—a “one size fits all” approach. This work also investigated the effects of varying the spike pulse shapes on the STDP response of the memristors. These results showed that small changes in the pre- and postsynaptic pulse shape can have a significant impact on the STDP. These results may provide circuit designers with insights into how pulse shape affects the actual memristor STDP response and aid them in the design of neuromorphic circuits and systems that can take advantage of certain features in the memristor STDP response that are programmable via the pre- and postsynaptic pulse shapes. In addition, the energy requirement per memristor is approximated based on the pulse shape and timing responses. The energy requirement estimated per memristor operating on slower biological timescales (milliseconds to seconds) is larger (nanojoules range), as expected, than the faster (nanoseconds) operating times (~0.1 pJ in some cases). Lastly, the memristors responded in a similar manner under normal STDP conditions (pre- and post-spikes applied to opposite memristor terminals) as they did to the case where a waveform corresponding to the difference between pre- and post-spikes was applied to only one electrode, with the other electrode held at ground potential. By applying the difference signal to only one terminal, testing of the memristor in various

  5. 1-D Van der Waals Foams Heated by Ion Beam Energy Deposition

    SciTech Connect

    Zylstra, A; Barnard, J J; More, R M

    2010-03-19

    One dimensional simulations of various initial average density aluminum foams (modeled as slabs of solid metal separated by low density regions) heated by volumetric energy deposition are conducted with a Lagrangian hydrodynamics code using a van der Waals equation of state (EOS). The resulting behavior is studied to facilitate the design of future warm dense matter (WDM) experiments at LBNL. In the simulations the energy deposition ranges from 10 to 30 kJ/g and from 0.075 to 4.0 ns total pulse length, resulting in temperatures from approximately 1 to 4 eV. We study peak pressures and temperatures in the foams, expansion velocity, and the phase evolution. Five relevant time scales in the problem are identified. Additionally, we present a method for characterizing the level of inhomogeneity in a foam target as it is heated and the time it takes for a foam to homogenize.

  6. 1-D Van der Waals Foams Heated by Ion Beam Energy Deposition

    SciTech Connect

    Zylstra, A. B.; Barnard, J. J.; More, R. M.

    2009-12-23

    One dimensional simulations of various initial average density aluminum foams (modeled as slabs of solid metal separated by low density regions) heated by volumetric energy deposition are conducted with a Lagrangian hydrodynamics code using a van der Waals equation of tate (EOS). The resulting behavior is studied to facilitate the design of future warm dense matter (WDM) experiments at LBNL. In the simulations the energy deposition ranges from 10 to 30 kJ/g and from 0.075 to 4.0 ns total pulse length, resulting in temperatures from approximately 1 o 4 eV. We study peak pressures and temperatures in the foams, expansion velocity, and the phase evolution. Five relevant time scales in the problem are identified. Additionally, we present a method for characterizing the level of inhomogeneity in a foam target as it is heated and the time it takes for a foam to homogenize.

  7. Energy deposited in the high luminosity inner triplets of the LHC by collision debris

    SciTech Connect

    Wildner, E.; Broggi, F.; Cerutti, F.; Ferrari, A.; Hoa, C.; Koutchouk, J.-P.; Mokhov, N.V.; /Fermilab

    2008-06-01

    The 14 TeV center of mass proton-proton collisions in the LHC produce not only debris interesting for physics but also showers of particles ending up in the accelerator equipment, in particular in the superconducting magnet coils. Evaluations of this contribution to the heat, that has to be transported by the cryogenic system, have been made to guarantee that the energy deposition in the superconducting magnets does not exceed limits for magnet quenching and the capacity of the cryogenic system. The models of the LHC base-line are detailed and include description of, for energy deposition, essential elements like beam-pipes and corrector magnets. The evaluations made using the Monte-Carlo code FLUKA are compared to previous studies using MARS. For the consolidation of the calculations, a dedicated comparative study of these two codes was performed for a reduced setup.

  8. Shoulder pain and time dependent structure in wheelchair propulsion variability.

    PubMed

    Jayaraman, Chandrasekaran; Moon, Yaejin; Sosnoff, Jacob J

    2016-07-01

    Manual wheelchair propulsion places considerable repetitive mechanical strain on the upper limbs leading to shoulder injury and pain. While recent research indicates that the amount of variability in wheelchair propulsion and shoulder pain may be related. There has been minimal inquiry into the fluctuation over time (i.e. time-dependent structure) in wheelchair propulsion variability. Consequently the purpose of this investigation was to examine if the time-dependent structure in the wheelchair propulsion parameters are related to shoulder pain. 27 experienced wheelchair users manually propelled their own wheelchair fitted with a SMARTWheel on a roller at 1.1m/s for 3min. Time-dependent structure of cycle-to-cycle fluctuations in contact angle and inter push time interval was quantified using sample entropy (SampEn) and compared between the groups with/without shoulder pain using non-parametric statistics. Overall findings were, (1) variability observed in contact angle fluctuations during manual wheelchair propulsion is structured (Z=3.15;p<0.05), (2) individuals with shoulder pain exhibited higher SampEn magnitude for contact angle during wheelchair propulsion than those without pain (χ(2)(1)=6.12;p<0.05); and (3) SampEn of contact angle correlated significantly with self-reported shoulder pain (rs (WUSPI) =0.41;rs (VAS)=0.56;p<0.05). It was concluded that the time-dependent structure in wheelchair propulsion may provide novel information for tracking and monitoring shoulder pain.

  9. Time dependent behavior of cores from the Pleasant Bayou wells

    SciTech Connect

    Thompson, T.W.; Jogi, P.N.; Gray, K.E.; Richardson, J.; Bebout, D.G.; Bachman, A.L.

    1981-01-01

    Results of constant-load creep tests on sands from the Pleasant Bayou wells are reported. Significant time dependent behavior under both hydrostatic and non-hydrostatic states of stress have been fit to linear rheological models. The data and models are reported.

  10. Noncommutative quantum mechanics in a time-dependent background

    NASA Astrophysics Data System (ADS)

    Dey, Sanjib; Fring, Andreas

    2014-10-01

    We investigate a quantum mechanical system on a noncommutative space for which the structure constant is explicitly time dependent. Any autonomous Hamiltonian on such a space acquires a time-dependent form in terms of the conventional canonical variables. We employ the Lewis-Riesenfeld method of invariants to construct explicit analytical solutions for the corresponding time-dependent Schrödinger equation. The eigenfunctions are expressed in terms of the solutions of variants of the nonlinear Ermakov-Pinney equation and discussed in detail for various types of background fields. We utilize the solutions to verify a generalized version of Heisenberg's uncertainty relations for which the lower bound becomes a time-dependent function of the background fields. We study the variance for various states, including standard Glauber coherent states with their squeezed versions and Gaussian Klauder coherent states resembling a quasiclassical behavior. No type of coherent state appears to be optimal in general with regard to achieving minimal uncertainties, as this feature turns out to be background field dependent.

  11. Student Understanding of Time Dependence in Quantum Mechanics

    ERIC Educational Resources Information Center

    Emigh, Paul J.; Passante, Gina; Shaffer, Peter S.

    2015-01-01

    The time evolution of quantum states is arguably one of the more difficult ideas in quantum mechanics. In this article, we report on results from an investigation of student understanding of this topic after lecture instruction. We demonstrate specific problems that students have in applying time dependence to quantum systems and in recognizing…

  12. Advances in time-dependent methods for multiphoton processes

    SciTech Connect

    Kulander, K.C.; Schafer, K.J.; Krause, J.L.

    1990-09-01

    This paper discusses recent theoretical results on above threshold ionization harmonic generation and high-frequency, high intensity suppression of ionization. These studies of multiphoton processes in atoms and molecules for short, intense pulsed optical lasers have been carried out using techniques which involve the explicit solution of the time-dependent Schroedinger equation. 43 refs., 5 figs.

  13. Pedagogical Aspects of Time-Dependent Rotation Operators.

    ERIC Educational Resources Information Center

    Leubner, C.

    1980-01-01

    Describes the reformulation of a classical magnetic moment interacting with various magnetic field configurations in terms of coordinate-free, time-dependent rotation operators. This approach provides useful exercises for the manipulation of three-dimensional rotation operators and provides examples for a number of quantum-mechanics related…

  14. Time dependent solution for acceleration of tau-leaping

    SciTech Connect

    Fu, Jin; Wu, Sheng; Petzold, Linda R.

    2013-02-15

    The tau-leaping method is often effective for speeding up discrete stochastic simulation of chemically reacting systems. However, when fast reactions are involved, the speed-up for this method can be quite limited. One way to address this is to apply a stochastic quasi-steady state assumption. However we must be careful when using this assumption. If the fast subsystem cannot reach a steady distribution fast enough, the quasi-steady-state assumption will propagate error into the simulation. To avoid these errors, we propose to use the time dependent solution rather than the quasi-steady-state. Generally speaking, the time dependent solution is not easy to derive for an arbitrary network. However, for some common motifs we do have time dependent solutions. We derive the time dependent solutions for these motifs, and then show how they can be used with tau-leaping to achieve substantial speed-ups, including for a realistic model of blood coagulation. Although the method is complicated, we have automated it.

  15. Student Understanding of Time Dependence in Quantum Mechanics

    ERIC Educational Resources Information Center

    Emigh, Paul J.; Passante, Gina; Shaffer, Peter S.

    2015-01-01

    The time evolution of quantum states is arguably one of the more difficult ideas in quantum mechanics. In this article, we report on results from an investigation of student understanding of this topic after lecture instruction. We demonstrate specific problems that students have in applying time dependence to quantum systems and in recognizing…

  16. Time-Dependent Interfacial Properties and DNAPL Mobility

    SciTech Connect

    Tuck, D.M.

    1999-03-10

    Interfacial properties play a major role in governing where and how dense nonaqueous phase liquids (DNAPLs) move in the subsurface. Interfacial tension and contact angle measurements were obtained for a simple, single component DNAPL (tetrachloroethene, PCE), complex laboratory DNAPLs (PCE plus Sudan IV dye), and a field DNAPL from the Savannah River Site (SRS) M-Area DNAPL (PCE, trichloroethene [TCE], and maching oils). Interfacial properties for complex DNAPLs were time-dependent, a phenomenon not observed for PCE alone. Drainage capillary pressure-saturation curves are strongly influenced by interfacial properties. Therefore time-dependence will alter the nature of DNAPL migration and penetration. Results indicate that the time-dependence of PCE with relatively high Sudan IV dye concentrations is comparable to that of the field DNAPL. Previous DNAPL mobility experiments in which the DNAPL was dyed should be reviewed to determine whether time-dependent properties influenced the resutls. Dyes appear to make DNAPL more complex, and therefore a more realistic analog for field DNAPLs than single component DNAPLs.

  17. Time-Dependent Modulation of Cosmic Rays in the Heliosphere

    NASA Astrophysics Data System (ADS)

    Manuel, R.; Ferreira, S. E. S.; Potgieter, M. S.

    2014-06-01

    The time-dependent modulation of galactic cosmic rays in the heliosphere is studied by computing intensities using a time-dependent modulation model. By introducing recent theoretical advances in the transport coefficients in the model, computed intensities are compared with Voyager 1, International Monitoring Platform (IMP) 8, and Ulysses proton observations in search of compatibility. The effect of different modulation parameters on computed intensities is also illustrated. It is shown that this approach produces, on a global scale, realistic cosmic-ray proton intensities along the Voyager 1 spacecraft trajectory and at Earth up to ≈ 2004, whereafter the computed intensities recover much more slowly towards solar minimum than observed in the inner heliosphere. A modified time dependence in the diffusion coefficients is proposed to improve compatibility with the observations at Earth after ≈ 2004. This modified time dependence led to an improved compatibility between computed intensities and the observations along the Voyager 1 trajectory and at Earth even after ≈ 2004. An interesting result is that the cosmic-ray modulation during the current polarity cycle is not determined only by changes in the drift coefficient and tilt angle of the wavy current sheet, but is also largely dependent on changes in the diffusion coefficients.

  18. Time dependent solution for acceleration of tau-leaping

    NASA Astrophysics Data System (ADS)

    Fu, Jin; Wu, Sheng; Petzold, Linda R.

    2013-02-01

    The tau-leaping method is often effective for speeding up discrete stochastic simulation of chemically reacting systems. However, when fast reactions are involved, the speed-up for this method can be quite limited. One way to address this is to apply a stochastic quasi-steady state assumption. However we must be careful when using this assumption. If the fast subsystem cannot reach a steady distribution fast enough, the quasi-steady-state assumption will propagate error into the simulation. To avoid these errors, we propose to use the time dependent solution rather than the quasi-steady-state. Generally speaking, the time dependent solution is not easy to derive for an arbitrary network. However, for some common motifs we do have time dependent solutions. We derive the time dependent solutions for these motifs, and then show how they can be used with tau-leaping to achieve substantial speed-ups, including for a realistic model of blood coagulation. Although the method is complicated, we have automated it.

  19. Pedagogical Aspects of Time-Dependent Rotation Operators.

    ERIC Educational Resources Information Center

    Leubner, C.

    1980-01-01

    Describes the reformulation of a classical magnetic moment interacting with various magnetic field configurations in terms of coordinate-free, time-dependent rotation operators. This approach provides useful exercises for the manipulation of three-dimensional rotation operators and provides examples for a number of quantum-mechanics related…

  20. Stability on time-dependent domains: convective and dilution effects

    NASA Astrophysics Data System (ADS)

    Krechetnikov, R.; Knobloch, E.

    2017-03-01

    We explore near-critical behavior of spatially extended systems on time-dependent spatial domains with convective and dilution effects due to domain flow. As a paradigm, we use the Swift-Hohenberg equation, which is the simplest nonlinear model with a non-zero critical wavenumber, to study dynamic pattern formation on time-dependent domains. A universal amplitude equation governing weakly nonlinear evolution of patterns on time-dependent domains is derived and proves to be a generalization of the standard Ginzburg-Landau equation. Its key solutions identified here demonstrate a substantial variety-spatially periodic states with a time-dependent wavenumber, steady spatially non-periodic states, and pulse-train solutions-in contrast to extended systems on time-fixed domains. The effects of domain flow, such as bifurcation delay due to domain growth and destabilization due to oscillatory domain flow, on the Eckhaus instability responsible for phase slips in spatially periodic states are analyzed with the help of both local and global stability analyses. A nonlinear phase equation describing the approach to a phase-slip event is derived. Detailed analysis of a phase slip using multiple time scale methods demonstrates different mechanisms governing the wavelength changing process at different stages.

  1. Adjoint-Based Methodology for Time-Dependent Optimization

    NASA Technical Reports Server (NTRS)

    Yamaleev, N. K.; Diskin, B.; Nielsen, E. J.

    2008-01-01

    This paper presents a discrete adjoint method for a broad class of time-dependent optimization problems. The time-dependent adjoint equations are derived in terms of the discrete residual of an arbitrary finite volume scheme which approximates unsteady conservation law equations. Although only the 2-D unsteady Euler equations are considered in the present analysis, this time-dependent adjoint method is applicable to the 3-D unsteady Reynolds-averaged Navier-Stokes equations with minor modifications. The discrete adjoint operators involving the derivatives of the discrete residual and the cost functional with respect to the flow variables are computed using a complex-variable approach, which provides discrete consistency and drastically reduces the implementation and debugging cycle. The implementation of the time-dependent adjoint method is validated by comparing the sensitivity derivative with that obtained by forward mode differentiation. Our numerical results show that O(10) optimization iterations of the steepest descent method are needed to reduce the objective functional by 3-6 orders of magnitude for test problems considered.

  2. Energy Deposition into a Collisional Gas from Optical Lattices Formed in an Optical Cavity (PREPRINT)

    DTIC Science & Technology

    2008-07-02

    pp. 1344-1347 2 Kuga et al., “Novel Optical Trap of Atoms with a Doughnut Beam,” Physical Review Letters 78, (1997), pp. 4713-4716 3 Dotsenko et...other provision of law, no person shall be subject to any penalty for failing to comply with a collection of information if it does not display a ...Technical Paper 3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Energy Deposition into a Collisional Gas from

  3. Direct evidence of strongly inhomogeneous energy deposition in target heating with laser-produced ion beams

    SciTech Connect

    Brambrink, E.; Audebert, P.; Schlegel, T.; Malka, G.; Aleonard, M. M.; Claverie, G.; Gerbaux, M.; Gobet, F.; Hannachi, F.; Scheurer, J. N.; Tarisien, M.; Amthor, K. U.; Meot, V.; Morel, P.

    2007-06-15

    We report on strong nonuniformities in target heating with intense, laser-produced proton beams. The observed inhomogeneity in energy deposition can strongly perturb equation of state (EOS) measurements with laser-accelerated ions which are planned in several laboratories. Interferometric measurements of the target expansion show different expansion velocities on the front and rear surfaces, indicating a strong difference in local temperature. The nonuniformity indicates at an additional heating mechanism, which seems to originate from electrons in the keV range.

  4. Direct evidence of strongly inhomogeneous energy deposition in target heating with laser-produced ion beams.

    PubMed

    Brambrink, E; Schlegel, T; Malka, G; Amthor, K U; Aléonard, M M; Claverie, G; Gerbaux, M; Gobet, F; Hannachi, F; Méot, V; Morel, P; Nicolai, P; Scheurer, J N; Tarisien, M; Tikhonchuk, V; Audebert, P

    2007-06-01

    We report on strong nonuniformities in target heating with intense, laser-produced proton beams. The observed inhomogeneity in energy deposition can strongly perturb equation of state (EOS) measurements with laser-accelerated ions which are planned in several laboratories. Interferometric measurements of the target expansion show different expansion velocities on the front and rear surfaces, indicating a strong difference in local temperature. The nonuniformity indicates at an additional heating mechanism, which seems to originate from electrons in the keV range.

  5. Ion mass and energy selective hyperthermal ion-beam assisted deposition setup

    NASA Astrophysics Data System (ADS)

    Gerlach, J. W.; Schumacher, P.; Mensing, M.; Rauschenbach, S.; Cermak, I.; Rauschenbach, B.

    2017-06-01

    For the synthesis of high-quality thin films, ion-beam assisted deposition (IBAD) is a frequently used technique providing precise control over several substantial film properties. IBAD typically relies on the use of a broad-beam ion source. Such ion sources suffer from the limitation that they deliver a blend of ions with different ion masses, each of them possessing a certain distribution of kinetic energy. In this paper, a compact experimental setup is presented that enables the separate control of ion mass and ion kinetic energy in the region of hyperthermal energies (few 1 eV - few 100 eV). This ion energy region is of increasing interest not only for ion-assisted film growth but also for the wide field of preparative mass spectrometry. The setup consists of a constricted glow-discharge plasma beam source and a tailor-made, compact quadrupole system equipped with entry and exit ion optics. It is demonstrated that the separation of monoatomic and polyatomic nitrogen ions (N+ and N2+) is accomplished. For both ion species, the kinetic energy is shown to be selectable in the region of hyperthermal energies. At the sample position, ion current densities are found to be in the order of 1 μA/cm2 and the full width at half maximum of the ion beam profile is in the order of 10 mm. Thus, the requirements for homogeneous deposition processes in sufficiently short periods of time are fulfilled. Finally, employing the described setup, for the first time in practice epitaxial GaN films were deposited. This opens up the opportunity to fundamentally study the influence of the simultaneous irradiation with hyperthermal ions on the thin film growth in IBAD processes and to increase the flexibility of the technique.

  6. Unloading Versus Driven Processes Derived from Auroral Energy Deposition and Polar Cap Size

    NASA Technical Reports Server (NTRS)

    Brittnacher, M. J.; Parks, G. K.; Fillingim, M. O.; Elsen, R.; Chua, D.; Germany, G. A.; Spann, J. F., Jr.

    1998-01-01

    The intensity of far ultraviolet auroral emissions at all local times during the three substorm phases has been monitored by the Ultraviolet Imager (UVI) on the Polar spacecraft for many substorms. Changes in the energy flux and characteristic energy of the precipitating electrons can be derived from these observations by modeling of the spectral emission processes. The global and local energy deposition is a new parameter that can be used in substorm studies since it provides a measure of energy transfer from the tail to the ionosphere due to precipitating electrons at a time resolution of three minutes. The polar cap area and area of auroral emissions can also be determined at high time resolution during substorms from the UVI images. An example of a substorm that appears to be driven by solar wind dynamic pressure alone will be presented. The polar cap area and other parameters do not indicate a growth phase prior to substorm onset. In another example, the slow growth phase followed by a very rapid increase in energy deposition during the expansion phase will be shown. This substorm was preceded by a southward IMF orientation. In these two examples, the role the solar wind in determining polar cap area is discussed. The time development of the area of auroral emissions is also discussed in relation to substorm phase and energy deposition. If the auroral emissions occur on closed field lines then the area of auroral emissions may provide an indication of changes in the thickness of the plasma sheet during each substorm phase.

  7. Distinctive features of kinetics of plasma at high specific energy deposition

    NASA Astrophysics Data System (ADS)

    Lepikhin, Nikita; Popov, Nikolay; Starikovskaia, Svetlana

    2016-09-01

    A nanosecond capillary discharge in pure nitrogen at moderate pressures is used as an experimental tool for plasma kinetics studies at conditions of high specific deposited energy up to 1 eV/molecule. Experimental observations based on electrical (back current shunts, capacitive probe) and spectroscopic measurements (quenching rates; translational, rotational and vibrational temperature measurements) demonstrate that high specific deposited energy, at electric fields of 200-300 Td, can significantly change gas kinetics in the discharge and in the afterglow. The numerical calculations in 1D axially symmetric geometry using experimental data as input parameters show that changes in the plasma kinetics are caused by extremely high excitation degree: up to 10% of molecular nitrogen is electronically excited at present conditions. Distinctive features of kinetics of plasma at high specific energy deposition as well as details of the experimental technique and numerical calculations will be present. The work was partially supported by French National Agency, ANR (PLASMAFLAME Project, 2011 BS09 025 01), AOARD AFOSR, FA2386-13-1-4064 grant (Program Officer Prof. Chiping Li), LabEx Plas@Par and Linked International Laboratory LIA KaPPA (France-Russia).

  8. Energy deposition of heavy ions in the regime of strong beam-plasma correlations.

    PubMed

    Gericke, D O; Schlanges, M

    2003-03-01

    The energy loss of highly charged ions in dense plasmas is investigated. The applied model includes strong beam-plasma correlation via a quantum T-matrix treatment of the cross sections. Dynamic screening effects are modeled by using a Debye-like potential with a velocity dependent screening length that guarantees the known low and high beam velocity limits. It is shown that this phenomenological model is in good agreement with simulation data up to very high beam-plasma coupling. An analysis of the stopping process shows considerably longer ranges and a less localized energy deposition if strong coupling is treated properly.

  9. Monte Carlo calculations of the energy deposited in biological samples and shielding materials

    NASA Astrophysics Data System (ADS)

    Akar Tarim, U.; Gurler, O.; Ozmutlu, E. N.; Yalcin, S.

    2014-03-01

    The energy deposited by gamma radiation from the Cs-137 isotope into body tissues (bone and muscle), tissue-like medium (water), and radiation shielding materials (concrete, lead, and water), which is of interest for radiation dosimetry, was obtained using a simple Monte Carlo algorithm. The algorithm also provides a realistic picture of the distribution of backscattered photons from the target and the distribution of photons scattered forward after several scatterings in the scatterer, which is useful in studying radiation shielding. The presented method in this work constitutes an attempt to evaluate the amount of energy absorbed by body tissues and shielding materials.

  10. Lines of Energy Deposition for Supersonic/Hypersonic Temperature/ Drag-Reduction and Vehicle Control

    DTIC Science & Technology

    2009-10-06

    amount of energy to deposit along the cone axis in order to open up low-density cylindrical cores of various radii. The reason behind modeling the...for a 15° half- angle cone and up to 96% for a 45° half-angle cone . The energy retum ratio [thrust (power) saved]:[invested power] of this...addresses the r ~q .•-.~~,~.~ .• ~.~.~.~, ~.~.~. (a) X ·2 · $ ·4 ·3 ·~ · 1 0 I l 3 4 5 6 (c) X FIGURE 3: A low-density core streaming over the cone

  11. Front end energy deposition and collimation studies for IDS-NF

    SciTech Connect

    Rogers, C.; Neuffer, D.; Snopok, P.; /IIT, Chicago /Fermilab

    2011-03-01

    The function of the Neutrino Factory front end is to reduce the energy spread and size of the muon beam to a manageable level that will allow reasonable throughput to subsequent system components. Since the Neutrino Factory is a tertiary machine (protons to pions to muons), there is an issue of large background from the pion-producing target. The implications of energy deposition in the front end lattice for the Neutrino Factory are addressed. Several approaches to mitigating the effect are proposed and discussed, including proton absorbers, chicanes, beam collimation, and shielding.

  12. Simulation of submarine gas hydrate deposits as a sustainable energy source and CO2 storage

    NASA Astrophysics Data System (ADS)

    Janicki, G.; Hennig, T.; Schlüter, S.; Deerberg, G.

    2012-04-01

    Being aware that conventionally exploitable natural gas resources are limited, research concentrates on the development of new technologies for the extraction of methane from gas hydrate deposits in subsea sediments. The quantity of methane stored in hydrate form is considered to be a promising means to overcome future shortages in energy resources. In combination with storing carbon dioxide (CO2) as hydrates in the deposits chances for sustainable energy supply systems are given. The combustion of hydrate-based natural gas can contribute to the energy supply, but the coupled CO2 emissions cause climate change effects. At present, the possible options to capture and subsequently store CO2 (CCS-Technology) become of particular interest. To develop a sustainable hydrate-based energy supply system, the production of natural gas from hydrate deposits has to be coupled with the storage of CO2. Hence, the simultaneous storage of CO2 in hydrate deposits has to be developed. Decomposition of methane hydrate in combination with CO2 sequestration appears to be promising because CO2 hydrate is stable within a wider range of pressure and temperature than methane hydrate. As methane hydrate provides structural integrity and stability in its natural formation, incorporating CO2 hydrate as substitute for methane hydrate will help to preserve the natural sediments' stability. Regarding the technological implementation, many problems have to be overcome. Especially heat and mass transfer in the deposits are limiting factors causing very long process times. Within the scope of the German research project »SUGAR«, different technological approaches are evaluated and compared by means of dynamic system simulations and analysis. Detailed mathematical models for the most relevant chemical and physical effects are developed. The basic mechanisms of gas hydrate formation/dissociation and heat and mass transport in porous media are considered and implemented into simulation programs like

  13. Monte Carlo calculations of energy deposition distributions of electrons below 20 keV in protein.

    PubMed

    Tan, Zhenyu; Liu, Wei

    2014-05-01

    The distributions of energy depositions of electrons in semi-infinite bulk protein and the radial dose distributions of point-isotropic mono-energetic electron sources [i.e., the so-called dose point kernel (DPK)] in protein have been systematically calculated in the energy range below 20 keV, based on Monte Carlo methods. The ranges of electrons have been evaluated by extrapolating two calculated distributions, respectively, and the evaluated ranges of electrons are compared with the electron mean path length in protein which has been calculated by using electron inelastic cross sections described in this work in the continuous-slowing-down approximation. It has been found that for a given energy, the electron mean path length is smaller than the electron range evaluated from DPK, but it is large compared to the electron range obtained from the energy deposition distributions of electrons in semi-infinite bulk protein. The energy dependences of the extrapolated electron ranges based on the two investigated distributions are given, respectively, in a power-law form. In addition, the DPK in protein has also been compared with that in liquid water. An evident difference between the two DPKs is observed. The calculations presented in this work may be useful in studies of radiation effects on proteins.

  14. Kinetic treatment of alpha-particle loss and energy deposition in ELMO Bumpy Torus

    SciTech Connect

    Fenstermacher, M.E.; Uckan, N.A.

    1982-12-01

    A formalism has been developed in terms of a drift kinetic equation with a Fokker-Planck collision operator to calculate alpha particle loss and energy deposition rate coefficients for one position in space and for steady-state operating conditions. A bounce-averaged drift kinetic equation for an ELMO Bumpy Torus (EBT) is expressed in invariant variables E = v/sup 2//2 and lambda = v/sub perpendicular//sup 2/B/sub MID//v/sup 2/B(l) and is used with energy scattering and pitch angle scattering terms in the collision operator. The alpha particle distribution function is expanded in terms of energy coefficients and pitch angle eigenfunctions. For the case of a square well magnetic field shape, the pitch angle eigenfunctions are the Legendre polynominals. With an expression for the distribution function the particle loss and energy deposition rates are calculated by taking the zeroth and first-order energy moments, respectively, of the kinetic equation.

  15. Time-dependent Hartree-Fock Study of Octupole Vibrations in doubly magic nuclei

    NASA Astrophysics Data System (ADS)

    Simenel, C.; Buete, J.; Vo-Phuoc, K.

    2016-09-01

    Octupole vibrations are studied in some doubly magic nuclei using the time-dependent Hartree-Fock (TDHF) theory with a Skyrme energy density functional. Through the use of the linear response theory, the energies and transition amplitudes of the low-lying vibrational modes for each of the nuclei were determined. Energies were found to be close to experimental results. However, transition amplitudes, quantified by the deformation parameter β3, are underestimated by TDHF. A comparison with single-particle excitations on the Hartree-Fock ground-state shows that the collective octupole vibrations have their energy lowered due to attractive RPA residual interaction.

  16. An APL program for the distribution of energy deposition by charged particles passing through thin absorbers

    NASA Technical Reports Server (NTRS)

    Howell, L. W.

    1985-01-01

    An APL program which numerically evaluates the probability density function (PDF) for the energy deposited in a thin absorber by a charged particle is proposed, with application to the construction, pointing, and control of spacecraft. With this program, the PDF of the restricted energy loss distribution of Watts (1973) is derived, and Vavilov's (1957) distribution is obtained by proper parameter selection. The method is demonstrated with the example of the effect of charged particle induced radiation on the Hubble Space Telescope (HST) pointing accuracy. A Monte Carlo study simulates the photon noise caused by charged particles passing through the photomultiplier tube window, and the stochastic variation of energy loss is introduced into the simulation by generating random energy losses from a power law distribution. The program eliminates annoying loop procedures, and model parameter sensitivity can be studied using the graphical output.

  17. Time-dependent quantum wave packet dynamics to study charge transfer in heavy particle collisions

    NASA Astrophysics Data System (ADS)

    Zhang, Song Bin; Wu, Yong; Wang, Jian Guo

    2016-12-01

    The method of time-dependent quantum wave packet dynamics has been successfully extended to study the charge transfer/exchange process in low energy two-body heavy particle collisions. The collision process is described by coupled-channel equations with diabatic potentials and (radial and rotational) couplings. The time-dependent coupled equations are propagated with the multiconfiguration time-dependent Hartree method and the modulo squares of S-matrix is extracted from the wave packet by the flux operator with complex absorbing potential (FCAP) method. The calculations of the charge transfer process 12Σ+ H-(1s2) +Li(1 s22 s ) →22Σ+ /32 Σ+ /12 Π H(1 s ) +Li-(1s 22 s 2 l ) (l =s ,p ) at the incident energy of about [0.3, 1.3] eV are illustrated as an example. It shows that the calculated reaction probabilities by the present FCAP reproduce that of quantum-mechanical molecular-orbital close-coupling very well, including the peak structures contributed by the resonances. Since time-dependent external interactions can be directly included in the present FCAP calculations, the successful implementation of FCAP provides us a powerful potential tool to study the quantum control of heavy particle collisions by lasers in the near future.

  18. Applying Boundary Conditions Using a Time-Dependent Lagrangian for Modeling Laser-Plasma Interactions

    NASA Astrophysics Data System (ADS)

    Reyes, J. Paxon; Shadwick, B. A.

    2015-11-01

    Describing a cold-Maxwell fluid system with a spatially-discrete, unbounded Lagrangian is problematic for numerical modeling since boundary conditions must be applied after the variational step. Accurate solutions may still be attained, but do not technically satisfy the derived energy conservation law. The size of the numerical domain, the order accuracy of the discrete approximations used, and the type of boundary conditions applied influence the behavior of the artificially-bounded system. To encode the desired boundary conditions of the equations of motion, we include time-dependent terms into the discrete Lagrangian. Although some foresight is needed to choose these time-dependent terms, this approach provides a mechanism for energy to exit the closed system while allowing the conservation law to account for the energy loss. Results of a spatially-discrete, time-dependent Lagrangian system (with approximations of second-order accuracy in space and fourth order in time) will be presented. The fields and total energy will be compared with models of the same accuracy using a time-independent variational approach as well as a non-variational approach. This work was supported by the U. S. Department of Energy under Contract No. DE-SC0008382 and by the National Science Foundation under Contract No. PHY- 1104683.

  19. Comparisons of Solar Wind Coupling Parameters with Auroral Energy Deposition Rates

    NASA Technical Reports Server (NTRS)

    Elsen, R.; Brittnacher, M. J.; Fillingim, M. O.; Parks, G. K.; Germany G. A.; Spann, J. F., Jr.

    1997-01-01

    Measurement of the global rate of energy deposition in the ionosphere via auroral particle precipitation is one of the primary goals of the Polar UVI program and is an important component of the ISTP program. The instantaneous rate of energy deposition for the entire month of January 1997 has been calculated by applying models to the UVI images and is presented by Fillingim et al. In this session. A number of parameters that predict the rate of coupling of solar wind energy into the magnetosphere have been proposed in the last few decades. Some of these parameters, such as the epsilon parameter of Perrault and Akasofu, depend on the instantaneous values in the solar wind. Other parameters depend on the integrated values of solar wind parameters, especially IMF Bz, e.g. applied flux which predicts the net transfer of magnetic flux to the tail. While these parameters have often been used successfully with substorm studies, their validity in terms of global energy input has not yet been ascertained, largely because data such as that supplied by the ISTP program was lacking. We have calculated these and other energy coupling parameters for January 1997 using solar wind data provided by WIND and other solar wind monitors. The rates of energy input predicted by these parameters are compared to those measured through UVI data and correlations are sought. Whether these parameters are better at providing an instantaneous rate of energy input or an average input over some time period is addressed. We also study if either type of parameter may provide better correlations if a time delay is introduced; if so, this time delay may provide a characteristic time for energy transport in the coupled solar wind-magnetosphere-ionosphere system.

  20. Comparisons of Solar Wind Coupling Parameters with Auroral Energy Deposition Rates

    NASA Technical Reports Server (NTRS)

    Elsen, R.; Brittnacher, M. J.; Fillingim, M. O.; Parks, G. K.; Germany G. A.; Spann, J. F., Jr.

    1997-01-01

    Measurement of the global rate of energy deposition in the ionosphere via auroral particle precipitation is one of the primary goals of the Polar UVI program and is an important component of the ISTP program. The instantaneous rate of energy deposition for the entire month of January 1997 has been calculated by applying models to the UVI images and is presented by Fillingim et al. In this session. A number of parameters that predict the rate of coupling of solar wind energy into the magnetosphere have been proposed in the last few decades. Some of these parameters, such as the epsilon parameter of Perrault and Akasofu, depend on the instantaneous values in the solar wind. Other parameters depend on the integrated values of solar wind parameters, especially IMF Bz, e.g. applied flux which predicts the net transfer of magnetic flux to the tail. While these parameters have often been used successfully with substorm studies, their validity in terms of global energy input has not yet been ascertained, largely because data such as that supplied by the ISTP program was lacking. We have calculated these and other energy coupling parameters for January 1997 using solar wind data provided by WIND and other solar wind monitors. The rates of energy input predicted by these parameters are compared to those measured through UVI data and correlations are sought. Whether these parameters are better at providing an instantaneous rate of energy input or an average input over some time period is addressed. We also study if either type of parameter may provide better correlations if a time delay is introduced; if so, this time delay may provide a characteristic time for energy transport in the coupled solar wind-magnetosphere-ionosphere system.

  1. The influence of energy deposition parameters on laser plasma drag reduction

    NASA Astrophysics Data System (ADS)

    Dou, Zhiguo; Liu, Zhun; Yao, Honglin; Li, Xiuqian

    2013-09-01

    Laser plasma drag reduction is a new method to reduce the wave drag of hypersonic flight. The research of the laser plasma drag reduction performance is an important work. The purpose of this paper is investigating laser plasma drag reduction by numerical simulation to enhance the understanding of the drag reduction mechanism, get the drag reduction performance in different conditions, and provide references for laser plasma drag reduction experiment in the future. Based on summarizing correlative references systematically, through building the model of energy deposition and comparison the simulated results to the empirical formula and computation results to verify the program correctness, the influence of laser energy parameters to laser plasma drag reduction were simulated numerically for optimize the performance. The follow conclusions were got by numerical simulation: The computation program can well simulate the interacting of LSDW(laser supported detonation wave) to the bow shock in front of the blunt body. Results indicate that the blunt body drag could be decreased by injecting laser energy into the incoming hypersonic flow. The correctness of program was verified by compare result to the experiment and computation results. Blunt body drag will be greatly decreased with injected laser power increased, The bigger laser power is injected, the more drag decreases. There's an energy saturation value for each laser power level, the injecting laser power effectiveness values are never quite high for all laser power level. There is an optimized energy deposition location in upstream flow, this location is right ahead of the blunt body. When the distance from deposition location to the surface of blunt body is 5 times the blunt radius, blunt body drag decreased the most. This paper investigated the parameters which primary influence the performance of drag reduction. The numerical simulation data and obtained results are meaningful for laser plasma drag reduction

  2. Comparison between calculation and measurement of energy deposited by 800 MeV protons

    SciTech Connect

    Loewe, W.E.

    1980-04-03

    The High Energy Transport Code, HETC, was obtained from the Radiation Shielding Information Center (RSIC) at Oak Ridge National Laboratory and altered as necessary to run on a CDC 7600 using the LTSS software in use at LLNL. HETC was then used to obtain calculated estimates of energy deposited, for comparison with a series of benchmark experiments done by LLNL. These experiments used proton beams of various energies incident on well-defined composite targets in good geometry. In this report, two aspects of the comparison between calculated and experimental energy depositions from an 800 MeV proton beam are discussed. Both aspects involve the fact that workers at SAI had previously used their version of HETC to calculate this experiment and reported their comparison with the measured data. The first aspect addressed is that their calculated data and LLNL calculations do not agree, suggesting an error in the conversion process from the RSIC code. The second aspect is not independent of the first, but is of sufficient importance to merit separate emphasis. It is that the SAI calculations agree well with experiments at the detector plate located some distance from the shower plate, whereas the LLNL calculations show a clearcut discrepancy there in comparison with the experiment. A contract was let in January 1980 by LLNL with SAI in order to obtain full details on the two cited aspects of the comparison between calculated and experimental energy depositions from an 800 MeV proton beam. The ensuing discussion is based on the final report of that contracted work.

  3. Time-dependent magnetohydrodynamic simulations of the inner heliosphere

    NASA Astrophysics Data System (ADS)

    Merkin, V. G.; Lyon, J. G.; Lario, D.; Arge, C. N.; Henney, C. J.

    2016-04-01

    This paper presents results from a simulation study exploring heliospheric consequences of time-dependent changes at the Sun. We selected a 2 month period in the beginning of year 2008 that was characterized by very low solar activity. The heliosphere in the equatorial region was dominated by two coronal holes whose changing structure created temporal variations distorting the classical steady state picture of the heliosphere. We used the Air Force Data Assimilate Photospheric Flux Transport (ADAPT) model to obtain daily updated photospheric magnetograms and drive the Wang-Sheeley-Arge (WSA) model of the corona. This leads to a formulation of a time-dependent boundary condition for our three-dimensional (3-D) magnetohydrodynamic (MHD) model, LFM-helio, which is the heliospheric adaptation of the Lyon-Fedder-Mobarry MHD simulation code. The time-dependent coronal conditions were propagated throughout the inner heliosphere, and the simulation results were compared with the spacecraft located near 1 astronomical unit (AU) heliocentric distance: Advanced Composition Explorer (ACE), Solar Terrestrial Relations Observatory (STEREO-A and STEREO-B), and the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft that was in cruise phase measuring the heliospheric magnetic field between 0.35 and 0.6 AU. In addition, during the selected interval MESSENGER and ACE aligned radially allowing minimization of the effects of temporal variation at the Sun versus radial evolution of structures. Our simulations show that time-dependent simulationsreproduce the gross-scale structure of the heliosphere with higher fidelity, while on smaller spatial and faster time scales (e.g., 1 day) they provide important insights for interpretation of the data. The simulations suggest that moving boundaries of slow-fast wind transitions at 0.1 AU may result in the formation of inverted magnetic fields near pseudostreamers which is an intrinsically time-dependent process

  4. Low-Energy Plasma Spray (LEPS) Deposition of Hydroxyapatite/Poly-ɛ-Caprolactone Biocomposite Coatings

    NASA Astrophysics Data System (ADS)

    Garcia-Alonso, Diana; Parco, Maria; Stokes, Joseph; Looney, Lisa

    2012-01-01

    Thermal spraying is widely employed to deposit hydroxyapatite (HA) and HA-based biocomposites on hip and dental implants. For thick HA coatings (>150 μm), problems are generally associated with the build-up of residual stresses and lack of control of coating crystallinity. HA/polymer composite coatings are especially interesting to improve the pure HA coatings' mechanical properties. For instance, the polymer may help in releasing the residual stresses in the thick HA coatings. In addition, the selection of a bioresorbable polymer may enhance the coatings' biological behavior. However, there are major challenges associated with spraying ceramic and polymeric materials together because of their very different thermal properties. In this study, pure HA and HA/poly-ɛ-caprolactone (PCL) thick coatings were deposited without significant thermal degradation by low-energy plasma spraying (LEPS). PCL has never been processed by thermal spraying, and its processing is a major achievement of this study. The influence of selected process parameters on microstructure, composition, and mechanical properties of HA and HA/PCL coatings was studied using statistical design of experiments (DOE). The HA deposition rate was significantly increased by the addition of PCL. The average porosity of biocomposite coatings was slightly increased, while retaining or even improving in some cases their fracture toughness and microhardness. Surface roughness of biocomposites was enhanced compared with HA pure coatings. Cell culture experiments showed that murine osteoblast-like cells attach and proliferate well on HA/PCL biocomposite deposits.

  5. Partition-free theory of time-dependent current correlations in nanojunctions in response to an arbitrary time-dependent bias

    NASA Astrophysics Data System (ADS)

    Ridley, Michael; MacKinnon, Angus; Kantorovich, Lev

    2017-04-01

    Working within the nonequilibrium Green's function formalism, a formula for the two-time current correlation function is derived for the case of transport through a nanojunction in response to an arbitrary time-dependent bias. The one-particle Hamiltonian and the wide-band limit approximation are assumed, enabling us to extract all necessary Green's functions and self-energies for the system, extending the analytic work presented previously [Ridley et al., Phys. Rev. B 91, 125433 (2015), 10.1103/PhysRevB.91.125433]. We show that our expression for the two-time correlation function generalizes the Büttiker theory of shot and thermal noise on the current through a nanojunction to the time-dependent bias case including the transient regime following the switch-on. Transient terms in the correlation function arise from an initial state that does not assume (as is usually done) that the system is initially uncoupled, i.e., our approach is partition free. We show that when the bias loses its time dependence, the long-time limit of the current correlation function depends on the time difference only, as in this case an ideal steady state is reached. This enables derivation of known results for the single-frequency power spectrum and for the zero-frequency limit of this power spectrum. In addition, we present a technique which facilitates fast calculations of the transient quantum noise, valid for arbitrary temperature, time, and voltage scales. We apply this formalism to a molecular wire system for both dc and ac biases, and find a signature of the traversal time for electrons crossing the wire in the time-dependent cross-lead current correlations.

  6. Magnetic field effects on the energy deposition spectra of MV photon radiation.

    PubMed

    Kirkby, C; Stanescu, T; Fallone, B G

    2009-01-21

    Several groups worldwide have proposed various concepts for improving megavoltage (MV) radiotherapy that involve irradiating patients in the presence of a magnetic field-either for image guidance in the case of hybrid radiotherapy-MRI machines or for purposes of introducing tighter control over dose distributions. The presence of a magnetic field alters the trajectory of charged particles between interactions with the medium and thus has the potential to alter energy deposition patterns within a sub-cellular target volume. In this work, we use the MC radiation transport code PENELOPE with appropriate algorithms invoked to incorporate magnetic field deflections to investigate electron energy fluence in the presence of a uniform magnetic field and the energy deposition spectra within a 10 microm water sphere as a function of magnetic field strength. The simulations suggest only very minor changes to the electron fluence even for extremely strong magnetic fields. Further, calculations of the dose-averaged lineal energy indicate that a magnetic field strength of at least 70 T is required before beam quality will change by more than 2%.

  7. Energy deposition around swift proton tracks in polymethylmethacrylate: How much and how far

    NASA Astrophysics Data System (ADS)

    Dapor, Maurizio; Abril, Isabel; de Vera, Pablo; Garcia-Molina, Rafael

    2017-08-01

    The use of proton beams in several modern technologies to probe or modify the properties of materials, such as proton beam lithography or ion beam cancer therapy, requires us to accurately know the extent to which the energy lost by the swift projectiles in the medium is redistributed radially around their tracks, since this determines several endpoints, such as the resolution of imaging or manufacturing techniques, or even the biological outcomes of radiotherapy. In this paper, the radial distribution of the energy deposited around swift-proton tracks in polymethylmethacrylate (PMMA) by the transport of secondary electrons is obtained by means of a detailed Monte Carlo simulation. The initial energy and angular distributions of the secondary electrons generated by proton impact, as well as the electronic cross sections for the ejection of these electrons, are reliably calculated in the framework of the dielectric formalism, where a realistic electronic excitation spectrum of PMMA is accounted for. The cascade of all secondary electrons generated in PMMA is simulated taking into account the main interactions that occur between these electrons and the condensed phase target. After analyzing the influence that several angular distributions of the electrons generated by the proton beam have on the resulting radial profiles of deposited energy, we conclude that the widely used Rudd and Kim formula should be replaced by the simpler isotropic angular distribution, which leads to radial energy distributions comparable to the ones obtained from more realistic angular distributions. By studying the dependence of the radial dose on the proton energy we recommend lower proton energies than previously published for reducing proximity effects around a proton track. The obtained results are of relevance for assessing the resolution limits of proton beam based imaging and manufacturing techniques.

  8. Chromospheric extents predicted by time-dependent acoustic wave models

    NASA Astrophysics Data System (ADS)

    Cuntz, Manfred

    1990-01-01

    Theoretical models for chromospheric structures of late-type giant stars are computed, including the time-dependent propagation of acoustic waves. Models with short-period monochromatic shock waves as well as a spectrum of acoustic waves are discussed, and the method is applied to the stars Arcturus, Aldebaran, and Betelgeuse. Chromospheric extent, defined as the monotonic decrease with height of the time-averaged electron densities, are found to be 1.12, 1.13, and 1.22 stellar radii for the three stars, respectively; this corresponds to a time-averaged electron density of 10 to the 7th/cu cm. Predictions of the extended chromospheric obtained using a simple scaling law agree well with those obtained by the time-dependent wave models; thus, the chromospheres of all stars for which the scaling law is valid consist of the same number of pressure scale heights.

  9. Chromospheric extents predicted by time-dependent acoustic wave models

    SciTech Connect

    Cuntz, M. Heidelberg Universitaet )

    1990-01-01

    Theoretical models for chromospheric structures of late-type giant stars are computed, including the time-dependent propagation of acoustic waves. Models with short-period monochromatic shock waves as well as a spectrum of acoustic waves are discussed, and the method is applied to the stars Arcturus, Aldebaran, and Betelgeuse. Chromospheric extent, defined as the monotonic decrease with height of the time-averaged electron densities, are found to be 1.12, 1.13, and 1.22 stellar radii for the three stars, respectively; this corresponds to a time-averaged electron density of 10 to the 7th/cu cm. Predictions of the extended chromospheric obtained using a simple scaling law agree well with those obtained by the time-dependent wave models; thus, the chromospheres of all stars for which the scaling law is valid consist of the same number of pressure scale heights. 74 refs.

  10. Holonomic Quantum Computation by Time dependent Decoherence Free Subspaces

    NASA Astrophysics Data System (ADS)

    Lin, J. N.; Liang, Y.; Yang, H. D.; Gui, J.; Wu, S. L.

    2017-04-01

    We show how to realize nonadiabatic holonomic quantum computation in time-dependent decoherence free subspaces (TDFSs). In our scheme, the holonomy is not generated by computational bases in DFSs but time-dependent bases of TDFSs. Therefore, different from the traditional DFSs, the ancillary systems are not necessary in inducing holonomy, which saves qubits used in the holonomic quantum computation. We also analyze the symmetry of the N-qubits system which couples to a common squeezed field. The results show that, there are several independent DFSs presented in Hilbert space, which is determined by eigenvalues of Lindblad operators. Combining the scheme and the model proposed in this paper, we show that, the one-qubit controllable phase gate can be realized by only two physical qubits.

  11. Statistical time-dependent model for the interstellar gas

    NASA Technical Reports Server (NTRS)

    Gerola, H.; Kafatos, M.; Mccray, R.

    1974-01-01

    We present models for temperature and ionization structure of low, uniform-density (approximately 0.3 per cu cm) interstellar gas in a galactic disk which is exposed to soft X rays from supernova outbursts occurring randomly in space and time. The structure was calculated by computing the time record of temperature and ionization at a given point by Monte Carlo simulation. The calculation yields probability distribution functions for ionized fraction, temperature, and their various observable moments. These time-dependent models predict a bimodal temperature distribution of the gas that agrees with various observations. Cold regions in the low-density gas may have the appearance of clouds in 21-cm absorption. The time-dependent model, in contrast to the steady-state model, predicts large fluctuations in ionization rate and the existence of cold (approximately 30 K), ionized (ionized fraction equal to about 0.1) regions.

  12. Generalization of DT equations for time dependent sources.

    PubMed

    Neri, Lorenzo; Tudisco, Salvatore; Musumeci, Francesco; Scordino, Agata; Fallica, Giorgio; Mazzillo, Massimo; Zimbone, Massimo

    2010-01-01

    New equations for paralyzable, non paralyzable and hybrid DT models, valid for any time dependent sources are presented. We show how such new equations include the equations already used for constant rate sources, and how it's is possible to correct DT losses in the case of time dependent sources. Montecarlo simulations were performed to compare the equations behavior with the three DT models. Excellent accordance between equations predictions and Montecarlo simulation was found. We also obtain good results in the experimental validation of the new hybrid DT equation. Passive quenched SPAD device was chosen as a device affected by hybrid DT losses and active quenched SPAD with 50 ns DT was used as DT losses free device.

  13. Holonomic Quantum Computation by Time dependent Decoherence Free Subspaces

    NASA Astrophysics Data System (ADS)

    Lin, J. N.; Liang, Y.; Yang, H. D.; Gui, J.; Wu, S. L.

    2017-01-01

    We show how to realize nonadiabatic holonomic quantum computation in time-dependent decoherence free subspaces (TDFSs). In our scheme, the holonomy is not generated by computational bases in DFSs but time-dependent bases of TDFSs. Therefore, different from the traditional DFSs, the ancillary systems are not necessary in inducing holonomy, which saves qubits used in the holonomic quantum computation. We also analyze the symmetry of the N-qubits system which couples to a common squeezed field. The results show that, there are several independent DFSs presented in Hilbert space, which is determined by eigenvalues of Lindblad operators. Combining the scheme and the model proposed in this paper, we show that, the one-qubit controllable phase gate can be realized by only two physical qubits.

  14. Clean Time-Dependent String Backgrounds from Bubble Baths

    SciTech Connect

    Silverstein, Eva M

    2002-08-08

    We consider the set of controlled time-dependent backgrounds of general relativity and string theory describing ''bubbles of nothing'', obtained via double analytic continuation of black hole solutions. We analyze their quantum stability, uncover some novel features of their dynamics, identify their causal structure and observables, and compute their particle production spectrum. We present a general relation between squeezed states, such as those arising in cosmological particle creation, and nonlocal theories on the string worldsheet. The bubble backgrounds have various aspects in common with de Sitter space, Rindler space, and moving mirror systems, but constitute controlled solutions of general relativity and string theory with no external forces. They provide a useful theoretical laboratory for studying issues of observables in systems with cosmological horizons, particle creation, and time-dependent string perturbation theory.

  15. Coherent states and their time dependence in fractional dimensions

    NASA Astrophysics Data System (ADS)

    Thilagam, A.; Lohe, M. A.

    2007-08-01

    We construct representations of the Lie algebra \\mathfrak{su}(1,1) using representations of the momentum and position operators satisfying the R-deformed Heisenberg relations, in which the fractional dimension d and angular momentum ell appear as parameters. The Bargmann index κ, which characterizes representations of the positive discrete series of \\mathfrak{su}(1,1) , can take any positive value. We construct coherent states in fractional dimensions, in particular we extend the two well-known analytic representations of coherent states for \\mathfrak{su}(1,1) , Perelomov and Barut-Girardello states, from dimension one to any dimension d. We generalize this construction to time-dependent coherent states by means of the \\mathfrak{su}(1,1) symmetries of the quantum time-dependent harmonic oscillator in fractional dimensions. We investigate the uncertainty relations of the momentum and position operators with respect to these coherent states, and their dependence on the dimension.

  16. Time-dependent buoyant puff model for explosive sources

    SciTech Connect

    Kansa, E.J.

    1997-01-01

    Several models exist to predict the time dependent behavior of bouyant puffs that result from explosions. This paper presents a new model that is derived from the strong conservative form of the conservation partial differential equations that are integrated over space to yield a coupled system of time dependent nonlinear ordinary differential equations. This model permits the cloud to evolve from an intial spherical shape not an ellipsoidal shape. It ignores the Boussinesq approximation, and treats the turbulence that is generated by the puff itself and the ambient atmospheric tubulence as separate mechanisms in determining the puff history. The puff cloud rise history was found to depend no only on the mass and initial temperature of the explosion, but also upon the stability conditions of the ambient atmosphere. This model was calibrated by comparison with the Roller Coaster experiments.

  17. Controlling Viscous Fingering Using Time-Dependent Strategies

    SciTech Connect

    Stone, Howard; Zheng, Zhong; Kim, Hyoungsoo

    2015-10-20

    Control and stabilization of viscous fingering of immiscible fluids impacts a wide variety of pressure-driven multiphase flows. Here, we report theoretical and experimental results on time-dependent control strategy by manipulating the gap thickness b(t) in a lifting Hele-Shaw cell in the power-law form b(t) = b1t1/7. Experimental results show good quantitative agreement with the predictions of linear stability analysis. Furthermore, by choosing the value of a single time-independent control parameter we can either totally suppress the viscous fingering instability or maintain a series of non-splitting viscous fingers during the fluid displacement process. Besides the gap thickness of a Hele-Shaw cell, in principle, time-dependent control strategies can also be placed on the injection rate, viscosity of the displaced fluid, and interfacial tensions between the two fluids.

  18. Controlling Viscous Fingering Using Time-Dependent Strategies

    DOE PAGES

    Stone, Howard; Zheng, Zhong; Kim, Hyoungsoo

    2015-10-20

    Control and stabilization of viscous fingering of immiscible fluids impacts a wide variety of pressure-driven multiphase flows. Here, we report theoretical and experimental results on time-dependent control strategy by manipulating the gap thickness b(t) in a lifting Hele-Shaw cell in the power-law form b(t) = b1t1/7. Experimental results show good quantitative agreement with the predictions of linear stability analysis. Furthermore, by choosing the value of a single time-independent control parameter we can either totally suppress the viscous fingering instability or maintain a series of non-splitting viscous fingers during the fluid displacement process. Besides the gap thickness of a Hele-Shaw cell,more » in principle, time-dependent control strategies can also be placed on the injection rate, viscosity of the displaced fluid, and interfacial tensions between the two fluids.« less

  19. Time dependent electromagnetic fields and 4-dimensional Stokes' theorem

    NASA Astrophysics Data System (ADS)

    Andosca, Ryan; Singleton, Douglas

    2016-11-01

    Stokes' theorem is central to many aspects of physics—electromagnetism, the Aharonov-Bohm effect, and Wilson loops to name a few. However, the pedagogical examples and research work almost exclusively focus on situations where the fields are time-independent so that one need only deal with purely spatial line integrals (e.g., ∮ A . d x ) and purely spatial area integrals (e.g., ∫ ( ∇ × A ) . d a = ∫ B . d a ). Here, we address this gap by giving some explicit examples of how Stokes' theorem plays out with time-dependent fields in a full 4-dimensional spacetime context. We also discuss some unusual features of Stokes' theorem with time-dependent fields related to gauge transformations and non-simply connected topology.

  20. Time-dependent response of filamentary composite spherical pressure vessels

    NASA Technical Reports Server (NTRS)

    Dozier, J. D.

    1983-01-01

    A filamentary composite spherical pressure vessel is modeled as a pseudoisotropic (or transversely isotropic) composite shell, with the effects of the liner and fill tubes omitted. Equations of elasticity, macromechanical and micromechanical formulations, and laminate properties are derived for the application of an internally pressured spherical composite vessel. Viscoelastic properties for the composite matrix are used to characterize time-dependent behavior. Using the maximum strain theory of failure, burst pressure and critical strain equations are formulated, solved in the Laplace domain with an associated elastic solution, and inverted back into the time domain using the method of collocation. Viscoelastic properties of HBFR-55 resin are experimentally determined and a Kevlar/HBFR-55 system is evaluated with a FORTRAN program. The computed reduction in burst pressure with respect to time indicates that the analysis employed may be used to predict the time-dependent response of a filamentary composite spherical pressure vessel.

  1. Time-dependent solutions of multimode convection equations

    NASA Technical Reports Server (NTRS)

    Toomre, J.; Gough, D. O.; Spiegel, E. A.

    1982-01-01

    Truncated modal equations are used to study the time evolution of thermal convection. In the Boussinesq approximation these nonlinear equations are obtained by expanding the fluctuating velocity and temperature fields in a finite set of planforms of the horizontal coordinates. Numerical studies dealing with two or three modes with triad interactions are discussed. Rich time dependence was found in these cases: periodic and aperiodic solutions can be obtained, along with various steady solutions. Three-mode solutions reproduce the qualitative appearance of spoke-pattern convection as observed in experiments at high Prandtl numbers. Though the values of the periods of the time-dependent solutions do not agree with those of the experiments, their variation with Rayleigh number compares favorably. Except at the highest Rayleigh number considered (10,000,000), the theoretical Nusselt numbers agree well with experiment.

  2. Statistical time-dependent model for the interstellar gas

    NASA Technical Reports Server (NTRS)

    Gerola, H.; Kafatos, M.; Mccray, R.

    1974-01-01

    We present models for temperature and ionization structure of low, uniform-density (approximately 0.3 per cu cm) interstellar gas in a galactic disk which is exposed to soft X rays from supernova outbursts occurring randomly in space and time. The structure was calculated by computing the time record of temperature and ionization at a given point by Monte Carlo simulation. The calculation yields probability distribution functions for ionized fraction, temperature, and their various observable moments. These time-dependent models predict a bimodal temperature distribution of the gas that agrees with various observations. Cold regions in the low-density gas may have the appearance of clouds in 21-cm absorption. The time-dependent model, in contrast to the steady-state model, predicts large fluctuations in ionization rate and the existence of cold (approximately 30 K), ionized (ionized fraction equal to about 0.1) regions.

  3. Transcriptional dynamics with time-dependent reaction rates

    NASA Astrophysics Data System (ADS)

    Nandi, Shubhendu; Ghosh, Anandamohan

    2015-02-01

    Transcription is the first step in the process of gene regulation that controls cell response to varying environmental conditions. Transcription is a stochastic process, involving synthesis and degradation of mRNAs, that can be modeled as a birth-death process. We consider a generic stochastic model, where the fluctuating environment is encoded in the time-dependent reaction rates. We obtain an exact analytical expression for the mRNA probability distribution and are able to analyze the response for arbitrary time-dependent protocols. Our analytical results and stochastic simulations confirm that the transcriptional machinery primarily act as a low-pass filter. We also show that depending on the system parameters, the mRNA levels in a cell population can show synchronous/asynchronous fluctuations and can deviate from Poisson statistics.

  4. Calculation of the Frequency Distribution of the Energy Deposition in DNA Volumes by Heavy Ions

    NASA Technical Reports Server (NTRS)

    Plante, Ianik; Cicinotta, Francis A.

    2012-01-01

    Radiation quality effects are largely determined by energy deposition in small volumes of characteristic sizes less than 10 nm representative of short-segments of DNA, the DNA nucleosome, or molecules initiating oxidative stress in the nucleus, mitochondria, or extra-cellular matrix. On this scale, qualitatively distinct types of molecular damage are possible for high linear energy transfer (LET) radiation such as heavy ions compared to low LET radiation. Unique types of DNA lesions or oxidative damages are the likely outcome of the energy deposition. The frequency distribution for energy imparted to 1-20 nm targets per unit dose or particle fluence is a useful descriptor and can be evaluated as a function of impact parameter from an ions track. In this work, the simulation of 1-Gy irradiation of a cubic volume of 5 micron by: 1) 450 (1)H(+) ions, 300 MeV; 2) 10 (12)C(6+) ions, 290 MeV/amu and 3) (56)Fe(26+) ions, 1000 MeV/amu was done with the Monte-Carlo simulation code RITRACKS. Cylindrical targets are generated in the irradiated volume, with random orientation. The frequency distribution curves of the energy deposited in the targets is obtained. For small targets (i.e. <25 nm size), the probability of an ion to hit a target is very small; therefore a large number of tracks and targets as well as a large number of histories are necessary to obtain statistically significant results. This simulation is very time-consuming and is difficult to perform by using the original version of RITRACKS. Consequently, the code RITRACKS was adapted to use multiple CPU on a workstation or on a computer cluster. To validate the simulation results, similar calculations were performed using targets with fixed position and orientation, for which experimental data are available [5]. Since the probability of single- and double-strand breaks in DNA as function of energy deposited is well know, the results that were obtained can be used to estimate the yield of DSB, and can be extended

  5. Enhancement of X-ray Energy Deposition via Heavy Element Sensitization in Biological Environments

    NASA Astrophysics Data System (ADS)

    Lim, Sara; Pradhan, Anil; Nahar, Sultana; Barth, Rolf

    2015-05-01

    Energy (dose) deposition by low vs. high energy x-rays (LEX & HEX), approximately E ~ 100 keV and E > 1 MeV respectively, was studied in biological matter sensitized with heavy elements (high-Z or HZ) to improve radiation therapy of cancer. Computations and simulations show that LEX interact favorably with HZ sensitizers by depositing more dose than HEX. LEX photons effectively photoionize deep inner electronic shells and release cell-killing Auger electrons near malignant cells embedded with HZ atoms. HEX photons predominantly Compton scatter with little interaction, even with HZ elements. Monte Carlo simulations show that in comparison to unsensitized tissue, LEX irradiation of HZ-sensitized models resulted in up to a factor of 2 increase in dose deposition relative to HEX. To validate the studies, in vitro experiments were performed using 2 distinct cancer cell types treated with Pt-based sensitizers, then irradiated with a LEX 160 KV x-ray source and a HEX 6 MV LINAC employed in radiation therapy. The experiments support numerical simulations, and demonstrate several factors lower survival of HZ-sensitized cells irradiated with LEX compared with HEX.

  6. Autoionization in time-dependent density-functional theory

    NASA Astrophysics Data System (ADS)

    Kapoor, V.

    2016-06-01

    We compute the exact exchange-correlation potential of the time-dependent density-functional theory (TDDFT) for the correlated process of autoionization. The potential develops barriers which regulate the autoionization rate. TDDFT employing known and practicable exchange-correlation potentials does not capture any autoionization dynamics. Approximate exchange-correlation potentials capturing such dynamics would necessarily require memory effects and are unlikely to be developed, as will be illustrated.

  7. Time-Dependent Effect of Chlorhexidine Surgical Prep

    DTIC Science & Technology

    2011-10-15

    Time-dependent effect of chlorhexidine surgical prep D.J. Stinner*, C.A. Krueger, B.D. Masini, J.C. Wenke United States Army Institute of Surgical ...2011 by J.A. Child Available online 15 October 2011 Keywords: Chlorhexidine Surgical site infection s u m m a r y Despite continued advances in...preoperative preventive measures and aseptic technique, surgical site infections remain a problem. The purpose of this study was to evaluate the time

  8. Spectral methods for time dependent partial differential equations

    NASA Technical Reports Server (NTRS)

    Gottlieb, D.; Turkel, E.

    1983-01-01

    The theory of spectral methods for time dependent partial differential equations is reviewed. When the domain is periodic Fourier methods are presented while for nonperiodic problems both Chebyshev and Legendre methods are discussed. The theory is presented for both hyperbolic and parabolic systems using both Galerkin and collocation procedures. While most of the review considers problems with constant coefficients the extension to nonlinear problems is also discussed. Some results for problems with shocks are presented.

  9. Designing for time-dependent material response in spacecraft structures

    NASA Technical Reports Server (NTRS)

    Hyer, M. W.; Oleksuk, Lynda L. S.; Bowles, D. E.

    1992-01-01

    To study the influence on overall deformations of the time-dependent constitutive properties of fiber-reinforced polymeric matrix composite materials being considered for use in orbiting precision segmented reflectors, simple sandwich beam models are developed. The beam models include layers representing the face sheets, the core, and the adhesive bonding of the face sheets to the core. A three-layer model lumps the adhesive layers with the face sheets or core, while a five-layer model considers the adhesive layers explicitly. The deformation response of the three-layer and five-layer sandwich beam models to a midspan point load is studied. This elementary loading leads to a simple analysis, and it is easy to create this loading in the laboratory. Using the correspondence principle of viscoelasticity, the models representing the elastic behavior of the two beams are transformed into time-dependent models. Representative cases of time-dependent material behavior for the facesheet material, the core material, and the adhesive are used to evaluate the influence of these constituents being time-dependent on the deformations of the beam. As an example of the results presented, if it assumed that, as a worst case, the polymer-dominated shear properties of the core behave as a Maxwell fluid such that under constant shear stress the shear strain increases by a factor of 10 in 20 years, then it is shown that the beam deflection increases by a factor of 1.4 during that time. In addition to quantitative conclusions, several assumptions are discussed which simplify the analyses for use with more complicated material models. Finally, it is shown that the simpler three-layer model suffices in many situations.

  10. Brans-Dicke cosmology with time-dependent cosmological term

    NASA Astrophysics Data System (ADS)

    Berman, Marcelo Samuel

    1990-12-01

    Berman and Som's solution for a Brans-Dicke cosmology with time-dependent cosmological term, Robertson-Walker metric, perfect fluid, and perfect gas law of state solves the horizon, homogeneity, and isotropy problems without requiring any unnatural fine tuning in the very early universe, thus being an alternative model to inflation. The model also does not need recourse to quantum cosmology, and solves the flatness and magnetic monopole problems.

  11. The time dependence of molecular iodine emission from Laminaria digitata

    NASA Astrophysics Data System (ADS)

    Dixneuf, S.; Ruth, A. A.; Vaughan, S.; Varma, R. M.; Orphal, J.

    2009-02-01

    We present the first in situ detection of molecular iodine emitted from the brown macroalga Laminaria digitata under natural stress conditions. We show that the release of I2 occurs in short, strong bursts with a complex time signature. The new data indicate that algal control of I2 release in the form of an oscillatory time-dependence may be based on a nonlinear autocatalytic reaction scheme which is closely linked to the production of H2O2.

  12. The time dependence of molecular iodine emission from Laminaria digitata

    NASA Astrophysics Data System (ADS)

    Dixneuf, S.; Ruth, A. A.; Vaughan, S.; Varma, R. M.; Orphal, J.

    2008-08-01

    We present the first in situ detection of molecular iodine emitted from the brown macroalga Laminaria digitata under natural stress conditions. We show that the release of I2 occurs in short, strong bursts with a complex time signature. The new data indicate that algal control of I2 release in the form of an oscillatory time-dependence may be based on a nonlinear autocatalytic reaction scheme which is closely linked to the production of H2O2.

  13. Time dependence of the pH of rain

    Treesearch

    John A. Kadlecek; Volkar A. Mohnen

    1976-01-01

    Standard procedures for determining the pH of rain samples usually involve substantial delays from the time of rainfall to the time of analysis. This assumes that no change in pH occurs during the storage period. We have found that this is not always true. We have determined that individual rain water samples possess a time dependent pH which can be correlated with the...

  14. Gamma time-dependency in Blaxter's compartmental model.

    NASA Technical Reports Server (NTRS)

    Matis, J. H.

    1972-01-01

    A new two-compartment model for the passage of particles through the gastro-intestinal tract of ruminants is proposed. In this model, a gamma distribution of lifetimes is introduced in the first compartment; thereby, passage from that compartment becomes time-dependent. This modification is strongly suggested by the physical alteration which certain substances, e.g. hay particles, undergo in the digestive process. The proposed model is applied to experimental data.

  15. Time Dependent Models of Grain Formation Around Carbon Stars

    NASA Technical Reports Server (NTRS)

    Egan, M. P.; Shipman, R. F.

    1996-01-01

    Carbon-rich Asymptotic Giant Branch stars are sites of dust formation and undergo mass loss at rates ranging from 10(exp -7) to 10(exp -4) solar mass/yr. The state-of-the-art in modeling these processes is time-dependent models which simultaneously solve the grain formation and gas dynamics problem. We present results from such a model, which also includes an exact solution of the radiative transfer within the system.

  16. Quantum anholonomies in time-dependent Aharonov-Bohm rings

    SciTech Connect

    Tanaka, Atushi; Cheon, Taksu

    2010-08-15

    Anholonomies in eigenstates are studied through time-dependent variations of a magnetic flux in an Aharonov-Bohm ring. The anholonomies in the eigenenergy and the expectation values of eigenstates are shown to persist beyond the adiabatic regime. The choice of the gauge of the magnetic flux is shown to be crucial to clarify the relationship of these anholonomies to the eigenspace anholonomy, which is described by a non-Abelian connection in the adiabatic limit.

  17. Shoulder pain and time dependent structure in wheelchair propulsion variability

    PubMed Central

    Jayaraman, Chandrasekaran; Moon, Yaejin; Sosnoff, Jacob J.

    2016-01-01

    Manual wheelchair propulsion places considerable repetitive mechanical strain on the upper limbs leading to shoulder injury and pain. While recent research indicates that the amount of variability in wheelchair propulsion and shoulder pain may be related. There has been minimal inquiry into the fluctuation over time (i.e. time-dependent structure) in wheelchair propulsion variability. Consequently the purpose of this investigation was to examine if the time-dependent structure in the wheelchair propulsion parameters are related to shoulder pain. 27 experienced wheelchair users manually propelled their own wheelchair fitted with a SMARTWheel on a roller at 1.1 m/s for 3 minutes. Time-dependent structure of cycle-to-cycle fluctuations in contact angle and inter push time interval was quantified using sample entropy (SampEn) and compared between the groups with/without shoulder pain using non-parametric statistics. Overall findings were, (1) variability observed in contact angle fluctuations during manual wheelchair propulsion is structured (Z=3.15;p<0.05), (2) individuals with shoulder pain exhibited higher SampEn magnitude for contact angle during wheelchair propulsion than those without pain (χ2(1)=6.12;p<0.05); and (3) SampEn of contact angle correlated significantly with self-reported shoulder pain (rs (WUSPI) =0.41;rs (VAS)=0.56;p<0.05). It was concluded that the time-dependent structure in wheelchair propulsion may provide novel information for tracking and monitoring shoulder pain. PMID:27134151

  18. Quasinormal modes in a time-dependent black hole background

    SciTech Connect

    Shao Chenggang; Wang Bin; Abdalla, Elcio; Su Rukeng

    2005-02-15

    We have studied the evolution of the massless scalar field propagating in a time-dependent charged Vaidya black hole background. A generalized tortoise coordinate transformation was used to study the evolution of the massless scalar field. It is shown that, for the slowest damped quasinormal modes, the approximate formulas in the stationary Reissner-Nordstroem black hole turn out to be a reasonable prescription, showing that results from quasinormal mode analysis are rather robust.

  19. Relating Time-Dependent Acceleration and Height Using an Elevator

    ERIC Educational Resources Information Center

    Kinser, Jason M.

    2015-01-01

    A simple experiment in relating a time-dependent linear acceleration function to height is explored through the use of a smartphone and an elevator. Given acceleration as a function of time, a(t), the velocity function and position functions are determined through integration as in v(t)=? a(t) dt (1) and x(t)=? v(t) dt. Mobile devices such as…

  20. The Role of Environment on Time Dependent Crack Growth

    DTIC Science & Technology

    1981-12-01

    reaction control and transport control terms. More recently, Wei and Shim (41) have extended these terms to represent frequency and temperature effects in...accelerate time dependent crack growth under either static loading (SCC or HE) or dynamic loading conditions. In some cases, the rate controlling ...processes of these phenomena have been related to surface controlled reactions, while in other cases bulk reactions such as diffusion appear to be rate

  1. Relating Time-Dependent Acceleration and Height Using an Elevator

    ERIC Educational Resources Information Center

    Kinser, Jason M.

    2015-01-01

    A simple experiment in relating a time-dependent linear acceleration function to height is explored through the use of a smartphone and an elevator. Given acceleration as a function of time, a(t), the velocity function and position functions are determined through integration as in v(t)=? a(t) dt (1) and x(t)=? v(t) dt. Mobile devices such as…

  2. Stochastic protein production and time-dependent current fluctuations

    NASA Astrophysics Data System (ADS)

    Gorissen, Mieke; Vanderzande, Carlo

    2011-03-01

    Translation is the cellular process in which ribosomes make proteins from information encoded on messenger RNA. We model this process using driven lattice gases and take into account the finite lifetime of mRNA. The stochastic properties of the translation process can then be determined from the time-dependent current fluctuations of the lattice gas model. We illustrate our ideas with a totally asymmetric exclusion process with extended objects.

  3. The multi-configurational time-dependent Hartree approach revisited.

    PubMed

    Manthe, Uwe

    2015-06-28

    The multi-configurational time-dependent Hartree (MCTDH) approach facilitates accurate high-dimensional quantum dynamics simulations. In the approach, the wavefunction is expanded in a direct product of self-adapting time-dependent single-particle functions (SPFs). The equations of motion for the expansion coefficients and the SPFs are obtained via the Dirac-Frenkel variational principle. While this derivation yields well-defined differential equations for the motion of occupied SPFs, singularities in the working equations resulting from unoccupied SPFs have to be removed by a regularization procedure. Here, an alternative derivation of the MCTDH equations of motion is presented. It employs an analysis of the time-dependence of the single-particle density matrices up to second order. While the analysis of the first order terms yields the known equations of motion for the occupied SPFs, the analysis of the second order terms provides new equations which allow one to identify optimal choices for the unoccupied SPFs. The effect of the optimal choice of the unoccupied SPFs on the structure of the MCTDH equations of motion and their regularization is discussed. Generalized equations applicable in the multi-layer MCTDH framework are presented. Finally, the effects resulting from the initial choice of the unoccupied SPFs are illustrated by a simple numerical example.

  4. The multi-configurational time-dependent Hartree approach revisited

    SciTech Connect

    Manthe, Uwe

    2015-06-28

    The multi-configurational time-dependent Hartree (MCTDH) approach facilitates accurate high-dimensional quantum dynamics simulations. In the approach, the wavefunction is expanded in a direct product of self-adapting time-dependent single-particle functions (SPFs). The equations of motion for the expansion coefficients and the SPFs are obtained via the Dirac-Frenkel variational principle. While this derivation yields well-defined differential equations for the motion of occupied SPFs, singularities in the working equations resulting from unoccupied SPFs have to be removed by a regularization procedure. Here, an alternative derivation of the MCTDH equations of motion is presented. It employs an analysis of the time-dependence of the single-particle density matrices up to second order. While the analysis of the first order terms yields the known equations of motion for the occupied SPFs, the analysis of the second order terms provides new equations which allow one to identify optimal choices for the unoccupied SPFs. The effect of the optimal choice of the unoccupied SPFs on the structure of the MCTDH equations of motion and their regularization is discussed. Generalized equations applicable in the multi-layer MCTDH framework are presented. Finally, the effects resulting from the initial choice of the unoccupied SPFs are illustrated by a simple numerical example.

  5. Eisenhart lifts and symmetries of time-dependent systems

    NASA Astrophysics Data System (ADS)

    Cariglia, M.; Duval, C.; Gibbons, G. W.; Horváthy, P. A.

    2016-10-01

    Certain dissipative systems, such as Caldirola and Kannai's damped simple harmonic oscillator, may be modelled by time-dependent Lagrangian and hence time dependent Hamiltonian systems with n degrees of freedom. In this paper we treat these systems, their projective and conformal symmetries as well as their quantisation from the point of view of the Eisenhart lift to a Bargmann spacetime in n + 2 dimensions, equipped with its covariantly constant null Killing vector field. Reparametrisation of the time variable corresponds to conformal rescalings of the Bargmann metric. We show how the Arnold map lifts to Bargmann spacetime. We contrast the greater generality of the Caldirola-Kannai approach with that of Arnold and Bateman. At the level of quantum mechanics, we are able to show how the relevant Schrödinger equation emerges naturally using the techniques of quantum field theory in curved spacetimes, since a covariantly constant null Killing vector field gives rise to well defined one particle Hilbert space. Time-dependent Lagrangians arise naturally also in cosmology and give rise to the phenomenon of Hubble friction. We provide an account of this for Friedmann-Lemaître and Bianchi cosmologies and how it fits in with our previous discussion in the non-relativistic limit.

  6. Numerical solutions to the time-dependent Bloch equations revisited.

    PubMed

    Murase, Kenya; Tanki, Nobuyoshi

    2011-01-01

    The purpose of this study was to demonstrate a simple and fast method for solving the time-dependent Bloch equations. First, the time-dependent Bloch equations were reduced to a homogeneous linear differential equation, and then a simple equation was derived to solve it using a matrix operation. The validity of this method was investigated by comparing with the analytical solutions in the case of constant radiofrequency irradiation. There was a good agreement between them, indicating the validity of this method. As a further example, this method was applied to the time-dependent Bloch equations in the two-pool exchange model for chemical exchange saturation transfer (CEST) or amide proton transfer (APT) magnetic resonance imaging (MRI), and the Z-spectra and asymmetry spectra were calculated from their solutions. They were also calculated using the fourth/fifth-order Runge-Kutta-Fehlberg (RKF) method for comparison. There was also a good agreement between them, and this method was much faster than the RKF method. In conclusion, this method will be useful for analyzing the complex CEST or APT contrast mechanism and/or investigating the optimal conditions for CEST or APT MRI. Copyright © 2011 Elsevier Inc. All rights reserved.

  7. Time dependent inelastic deformation of shocked soda-lime glass

    NASA Astrophysics Data System (ADS)

    Gupta, Y. M.

    2005-07-01

    Shock wave compression of soda-lime glass (SLG) has received considerable attention in recent years. To understand inelastic deformation in shocked soda-lime glass between 3 and 10.8 GPa, we have carried out plate impact experiments. In-material, time-resolved, measurements were obtained using longitudinal and lateral stress gauges (4.6 to 10.8 GPa), and electromagnetic particle velocity gauges (2.9 to 6 GPa) at comparable sample thicknesses. The 4.6 and 6 GPa experiments revealed time-dependent inelastic response along with time-dependent loss of material strength. The combination of our experimental results and related analyses demonstrate that previous interpretations of shocked SLG response in terms of a propagating failure wave are not valid. At higher peak stresses (˜ 10GPa), the SLG results do not display time-dependent strength loss. The shock response of SLG over the 4-10GPa range is complex and depends significantly on the peak stress. The experimental results and simulations from a phenomenological continuum model will be discussed. Work supported by DOE. Much of this work was carried out by Dr. Hari Simha.

  8. Spike-timing-dependent synaptic plasticity depends on dendritic location

    NASA Astrophysics Data System (ADS)

    Froemke, Robert C.; Poo, Mu-ming; Dan, Yang

    2005-03-01

    In the neocortex, each neuron receives thousands of synaptic inputs distributed across an extensive dendritic tree. Although postsynaptic processing of each input is known to depend on its dendritic location, it is unclear whether activity-dependent synaptic modification is also location-dependent. Here we report that both the magnitude and the temporal specificity of spike-timing-dependent synaptic modification vary along the apical dendrite of rat cortical layer 2/3 pyramidal neurons. At the distal dendrite, the magnitude of long-term potentiation is smaller, and the window of pre-/postsynaptic spike interval for long-term depression (LTD) is broader. The spike-timing window for LTD correlates with the window of action potential-induced suppression of NMDA (N-methyl-D-aspartate) receptors; this correlation applies to both their dendritic location-dependence and pharmacological properties. Presynaptic stimulation with partial blockade of NMDA receptors induced LTD and occluded further induction of spike-timing-dependent LTD, suggesting that NMDA receptor suppression underlies LTD induction. Computer simulation studies showed that the dendritic inhomogeneity of spike-timing-dependent synaptic modification leads to differential input selection at distal and proximal dendrites according to the temporal characteristics of presynaptic spike trains. Such location-dependent tuning of inputs, together with the dendritic heterogeneity of postsynaptic processing, could enhance the computational capacity of cortical pyramidal neurons.

  9. Sample size estimation for time-dependent receiver operating characteristic.

    PubMed

    Li, H; Gatsonis, C

    2014-03-15

    In contrast to the usual ROC analysis with a contemporaneous reference standard, the time-dependent setting introduces the possibility that the reference standard refers to an event at a future time and may not be known for every patient due to censoring. The goal of this research is to determine the sample size required for a study design to address the question of the accuracy of a diagnostic test using the area under the curve in time-dependent ROC analysis. We adapt a previously published estimator of the time-dependent area under the ROC curve, which is a function of the expected conditional survival functions. This estimator accommodates censored data. The estimation of the required sample size is based on approximations of the expected conditional survival functions and their variances, derived under parametric assumptions of an exponential failure time and an exponential censoring time. We also consider different patient enrollment strategies. The proposed method can provide an adequate sample size to ensure that the test's accuracy is estimated to a prespecified precision. We present results of a simulation study to assess the accuracy of the method and its robustness to departures from the parametric assumptions. We apply the proposed method to design of a study of positron emission tomography as predictor of disease free survival in women undergoing therapy for cervical cancer. Copyright © 2013 John Wiley & Sons, Ltd.

  10. Analytic controllability of time-dependent quantum control systems

    NASA Astrophysics Data System (ADS)

    Lan, Chunhua; Tarn, Tzyh-Jong; Chi, Quo-Shin; Clark, John W.

    2005-05-01

    The question of controllability is investigated for a quantum control system in which the Hamiltonian operator components carry explicit time dependence which is not under the control of an external agent. We consider the general situation in which the state moves in an infinite-dimensional Hilbert space, a drift term is present, and the operators driving the state evolution may be unbounded. However, considerations are restricted by the assumption that there exists an analytic domain, dense in the state space, on which solutions of the controlled Schrödinger equation may be expressed globally in exponential form. The issue of controllability then naturally focuses on the ability to steer the quantum state on a finite-dimensional submanifold of the unit sphere in Hilbert space—and thus on analytic controllability. A relatively straightforward strategy allows the extension of Lie-algebraic conditions for strong analytic controllability derived earlier for the simpler, time-independent system in which the drift Hamiltonian and the interaction Hamiltonian have no intrinsic time dependence. Enlarging the state space by one dimension corresponding to the time variable, we construct an augmented control system that can be treated as time independent. Methods developed by Kunita can then be implemented to establish controllability conditions for the one-dimension-reduced system defined by the original time-dependent Schrödinger control problem. The applicability of the resulting theorem is illustrated with selected examples.

  11. Analytic controllability of time-dependent quantum control systems

    SciTech Connect

    Lan Chunhua; Tarn, T.-J.; Chi, Q.-S.; Clark, John W.

    2005-05-01

    The question of controllability is investigated for a quantum control system in which the Hamiltonian operator components carry explicit time dependence which is not under the control of an external agent. We consider the general situation in which the state moves in an infinite-dimensional Hilbert space, a drift term is present, and the operators driving the state evolution may be unbounded. However, considerations are restricted by the assumption that there exists an analytic domain, dense in the state space, on which solutions of the controlled Schroedinger equation may be expressed globally in exponential form. The issue of controllability then naturally focuses on the ability to steer the quantum state on a finite-dimensional submanifold of the unit sphere in Hilbert space--and thus on analytic controllability. A relatively straightforward strategy allows the extension of Lie-algebraic conditions for strong analytic controllability derived earlier for the simpler, time-independent system in which the drift Hamiltonian and the interaction Hamiltonian have no intrinsic time dependence. Enlarging the state space by one dimension corresponding to the time variable, we construct an augmented control system that can be treated as time independent. Methods developed by Kunita can then be implemented to establish controllability conditions for the one-dimension-reduced system defined by the original time-dependent Schroedinger control problem. The applicability of the resulting theorem is illustrated with selected examples.

  12. Time-dependent partition-free approach in resonant tunneling systems

    NASA Astrophysics Data System (ADS)

    Stefanucci, Gianluca; Almbladh, Carl-Olof

    2004-05-01

    An extended Keldysh formalism, well suited to properly take into account the initial correlations, is used in order to deal with the time-dependent current response of a resonant tunneling system. We use a partition-free approach by Cini in which the whole system is in equilibrium before an external bias is switched on. No fictitious partitions are used. Despite a more involved formulation, this partition-free approach has many appealing features being much closer to what is experimentally done. In particular, besides the steady-state responses one can also calculate physical dynamical responses. In the noninteracting case we clarify under what circumstances a steady-state current develops and compare our result with the one obtained in the partitioned scheme. We prove a theorem of asymptotic equivalence between the two schemes for arbitrary time-dependent disturbances. We also show that the steady-state current is independent of the history of the external perturbation (memory-loss theorem). In the so-called wide-band limit an analytic result for the time-dependent current is obtained. In the interacting case we work out the lesser Green function in terms of the self-energy and we recover a well-known result in the long-time limit. In order to overcome the complications arising from a self-energy which is nonlocal in time we propose an exact nonequilibrium Green-function approach based on time-dependent density-functional theory. The equations are no more difficult than an ordinary mean-field treatment. We show how the scattering-state scheme by Lang follows from our formulation. An exact formula for the steady-state current of an arbitrary interacting resonant tunneling system is obtained. As an example the time-dependent current response is calculated in the random-phase approximation.

  13. Extended gyrokinetic field theory for time-dependent magnetic confinement fields

    SciTech Connect

    Sugama, H.; Watanabe, T.-H.; Nunami, M.

    2014-01-15

    A gyrokinetic system of equations for turbulent toroidal plasmas in time-dependent axisymmetric background magnetic fields is derived from the variational principle. Besides governing equations for gyrocenter distribution functions and turbulent electromagnetic fields, the conditions which self-consistently determine the background magnetic fields varying on a transport time scale are obtained by using the Lagrangian, which includes the constraint on the background fields. Conservation laws for energy and toroidal angular momentum of the whole system in the time-dependent background magnetic fields are naturally derived by applying Noether's theorem. It is shown that the ensemble-averaged transport equations of particles, energy, and toroidal momentum given in the present work agree with the results from the conventional recursive formulation with the WKB representation except that collisional effects are disregarded here.

  14. Time-dependent Jahn-Teller problem: phonon-induced relaxation through conical intersection.

    PubMed

    Pae, Kaja; Hizhnyakov, Vladimir

    2014-12-21

    A theoretical study of time-dependent dynamical Jahn-Teller effect in an impurity center in a solid is presented. We are considering the relaxation of excited states in the E⊗e-problem through the conical intersection of the potential energy. A strict quantum-mechanical treatment of vibronic interactions with both the main Jahn-Teller active vibration and the nontotally symmetric phonons causing the energy loss is given. The applied method enables us to calculate the time-dependence of the distribution function of the basic configurational coordinate. We have performed a series of numerical calculations allowing us, among other relaxation features, to visualise the details of the relaxation through the conical intersection. In particular, we elucidate how the Slonczewski quantization of the states in the conical intersection affects the relaxation.

  15. Extended gyrokinetic field theory for time-dependent magnetic confinement fields

    NASA Astrophysics Data System (ADS)

    Sugama, H.; Watanabe, T.-H.; Nunami, M.

    2014-01-01

    A gyrokinetic system of equations for turbulent toroidal plasmas in time-dependent axisymmetric background magnetic fields is derived from the variational principle. Besides governing equations for gyrocenter distribution functions and turbulent electromagnetic fields, the conditions which self-consistently determine the background magnetic fields varying on a transport time scale are obtained by using the Lagrangian, which includes the constraint on the background fields. Conservation laws for energy and toroidal angular momentum of the whole system in the time-dependent background magnetic fields are naturally derived by applying Noether's theorem. It is shown that the ensemble-averaged transport equations of particles, energy, and toroidal momentum given in the present work agree with the results from the conventional recursive formulation with the WKB representation except that collisional effects are disregarded here.

  16. Time-dependent Jahn-Teller problem: Phonon-induced relaxation through conical intersection

    SciTech Connect

    Pae, Kaja Hizhnyakov, Vladimir

    2014-12-21

    A theoretical study of time-dependent dynamical Jahn-Teller effect in an impurity center in a solid is presented. We are considering the relaxation of excited states in the E⊗e-problem through the conical intersection of the potential energy. A strict quantum-mechanical treatment of vibronic interactions with both the main Jahn-Teller active vibration and the nontotally symmetric phonons causing the energy loss is given. The applied method enables us to calculate the time-dependence of the distribution function of the basic configurational coordinate. We have performed a series of numerical calculations allowing us, among other relaxation features, to visualise the details of the relaxation through the conical intersection. In particular, we elucidate how the Slonczewski quantization of the states in the conical intersection affects the relaxation.

  17. A time-dependent model of pulse-driven radio frequency capacitively coupled collisional plasma sheath

    NASA Astrophysics Data System (ADS)

    Rahman, M. T.; Hossain, M. Mofazzal

    2017-01-01

    The time-dependent model of ion motion is used to propose an analytical model for dual frequency (DF) capacitively coupled plasma (CCP) sheath driven by a pulsed source and a radio-frequency source. In this model, the sheath is considered to be collisional. In this model, the time dependent terms of ion fluid equations are ignored, but the electric field, ion motion and ion density remain time dependent. Electron profile is assumed to be step-like. Analytical expressions for electron sheath width and sheath potential have been developed. The calculated sheath width and potential are compared with the dual radio frequency driven time dependent models of capacitively coupled plasma sheath. From the temporal evaluation of sheath motion and potential, it has been found that pulse driven sheath has higher sheath potential and sheath width than that of conventional radio frequency driven DF CCP. Moreover, it is also found that ion energy spread can be reduced using pulsed power. From the temporal investigation of sheath motion and potential, it has been found that the duty cycle of the pulse power significantly affects sheath width and sheath potential.

  18. Time-dependent treatment of electron-hydrogen scattering for higher angular momenta (L>0)

    NASA Astrophysics Data System (ADS)

    Odero, D. O.; Peacher, J. L.; Schultz, D. R.; Madison, D. H.

    2001-02-01

    The time-dependent approach to electron-atom scattering is emerging as an alternative to more conventional methods of treating atomic collisions. Solving the time-dependent Schrödinger equation directly has several very attractive features including a completely nonperturbative solution, dense representation of the nonphysical positive energy states, circumvention of the need to explicitly impose boundary conditions for ionization, and the convenience of being able to ``watch'' the electronic probability density evolve though the collision. Two principal approaches have so far been applied to treat electron-atom scattering, namely, the time-dependent close couping (TDCC) method and what we refer to as the time-dependent Hylleraas (TDH) method. The TDCC method solves coupled equations with two variables within a truncated infinite sum over individual angular momenta for each total angular momentum L of the system. In contrast, the TDH method avoids an infinite summation over the angular momenta of the individual electrons at the expense of solving a coupled equation with three variables for each L. The TDH method has previously been used for L=0 only. An important question, therefore, concerns whether the TDH method would represent a numerical advantage over the TDCC method for higher L values. This issue is investigated in this paper.

  19. The effect of laser energy on V2O5 thin film growth prepared by laser assisted molecular beam deposition

    NASA Astrophysics Data System (ADS)

    Abdel Samad, B.; Ashrit, P. V.

    2014-09-01

    Vanadium pentoxide V2O5 thin films were grown on glass substrates by the LAMBD deposition system with different laser energies. The structure, composition and optical properties of the films have been investigated with atomic force microscopy, x-ray photoemission spectroscopy, ellipsometry and the transmittance analysis. Upon the increase of laser energy, the results showed that the changes in the optical constants are consistent with the thickness changes of the film. The refractive index increases and the absorption coefficient increases when the laser energy increases. The AFM analysis showed a change of the roughness and structure of the deposited films at different laser energies. The prepared films deposited by LAMBD showed interesting properties with correct V2O5 phase without need of annealing after deposition.

  20. Fundamental Studies of Time-Dependent Response and Fracture of Cross- Linked Polymers

    DTIC Science & Technology

    1989-06-30

    D. von Meerwall and F. N. Kelley, "Time- Dependent Tearing of Carbon Black-Filled and Strain- Crystallizing Vulcanizates," Rubber Chem. Technol., 58...on the Tearing Energy of Master Curves of Poly( dimethyl diphenyl- siloxane)," Rubber Chem. Technol., 61, No. 1, March-April, 1988. E. von Neerwall and...begin at point A, T > T (the T of the inital reactantc g,r g mixture). After substantial reaction, the specific volume v or enthalpy Hsp of the system