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.
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.
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.
Time-dependent annealing and deposition on substrates with repulsive interactions
NASA Astrophysics Data System (ADS)
Venables, J. A.; Degraffenreid, J.; Kay, D.; Yang, P.
2006-08-01
In models of nucleation and growth of crystals on surfaces, it is often assumed that the energy surface of the substrate is flat, that diffusion is isotropic, and that capture numbers can be calculated in the diffusion-controlled limit. We lift these restrictions and formulate the general time-dependent problem in a two-dimensional (2D) potential field. We utilize the master equation discretization (MED) method to solve the 2D time-dependent diffusion field of adparticles on general nonuniform (rectangular grid) substrates, and compare it against competing algorithms, including the fast Fourier transform (FFT) and hybrid-FFT methods previously introduced, for periodic boundary conditions. The physical context is set by the importance of repulsive interactions in the nucleation and growth of many nanostructures, e.g., metal nanoclusters, hut clusters, and nanowires. The programs, realized in MATLAB®6.5 , are used to obtain quantitative capture numbers, aspect and direct impingement ratios, and other island growth quantities in the presence of potential fields, when particular surface processes are included. The case of no corner rounding is studied in detail. Strongly anisotropic potentials favor wire growth, which can be considerably influenced by alternate deposition and annealing, and the location of neighboring islands. Physical examples are given based on Ge/Si(001) material parameters. Essentially similar programs, differing only in outputs, are used to visualize the diffusion field and to produce realistic movies of crystal growth. Examples given here are linear deterministic calculations, but the framework allows for inclusion of nonlinear and statistical effects for particular applications.
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.
Simulating Time-Dependent Energy Transfer Between Crossed Laser Beams in an Expanding Plasma
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.
Transient energy excitation in shortcuts to adiabaticity for the time-dependent harmonic oscillator
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.
Fowlkes, Jason Davidson; Rack, Philip D
2010-01-01
Unknown parameters critical to understanding the electron-precursor substrate interactions during electron beam induced deposition (EBID) have long limited our ability to fully control this nanoscale, directed assembly method. We report here values for the fundamental interaction parameters of D, the precursor surface diffusion coefficient, delta, the sticking probability and tau, the mean surface residence time which are critical parameters for understanding the assembly of EBID deposits. Values of D=6.4um2s-1, delta=0.0250 and tau=3.2ms were determined for a commonly used precursor molecule tungsten hexacarbonyl W(CO)6. Space and time predictions of the adsorbed precursor coverage C(r,t) were solved by an explicit finite differencing numerical scheme. Evolving nanopillar surface morphology was derived from solutions of C(r,t) considering electron induced dissociation as the critical depletion term. This made it possible to infer the space and time dependent precursor coverage both on, and around nanopillar structures to better understand local precursor dynamics during mass transport limited (MTL) and reaction rate limited (RRL) EBID.
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. PMID:21405919
Time-dependent energy transfer rates in a conjugated polymer guest-host system
NASA Astrophysics Data System (ADS)
Herz, L. M.; Silva, C.; Grimsdale, A. C.; Müllen, K.; Phillips, R. T.
2004-10-01
We have investigated the energy transfer dynamics in films of a conjugated polyindenofluorene host doped with covalently attached perylene guests. By performing time-resolved measurements of the host luminescence decay under site-selective excitation conditions, we have examined the influence of exciton migration within the host on the temporal evolution of the host-guest energy transfer. We find that highly mobile excitons created at the peak of the host’s inhomogeneous density of states transfer to guests considerably faster than more localized excitons created in the low-energy tail, indicating a strong contribution of exciton migration to the overall energy transfer. These effects are significantly more pronounced at low temperature (7K) than at ambient temperature, suggesting that for the latter, up-hill migration of excitons in the host and a broadening of their homogeneous linewidth may prevent truly site-selective excitation of localized excitons. In the asymptotic long-time limit, the observed dynamics are compatible with long-range single-step Förster energy transfer. However, at early times (≲10ps) after excitation, the behavior notably deviates from this description, suggesting that diffusion-assisted energy transfer is more important in this regime. The measured changes in excitation transfer rates with temperature and excitation energy correlate well with those observed for the dynamic energy shifts of the vibronic emission peaks from the undoped polymer. Our results therefore indicate that energy-transfer rates in polymeric guest-host systems are strongly time-dependent, owing to a contribution both from exciton relaxation through incoherent hopping within the host’s density of states and direct Förster energy transfer.
Linking Neuromodulated Spike-Timing Dependent Plasticity with the Free-Energy Principle.
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. PMID:27391680
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
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.
Low Energy Excitations of a Bose-Einstein Condensate: A Time-Dependent Variational Analysis
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.}
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.
Time dependence of carbon film deposition on SnO{sub 2}/Si using DC unbalanced magnetron sputtering
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.
NASA Astrophysics Data System (ADS)
Aghamohammadi, A.; Saaidi, K.; Setare, M. R.
2011-04-01
We study the holographic dark energy on the subject of Hořava-Lifshitz gravity with a time dependent gravitational constant G( t), in the non-flat space-time. We obtain the differential equation that specify the evolution of the dark energy density parameter based on varying gravitational constant. We find out a relation for the state parameter of the dark energy equation of state to low red-shifts which containing varying G corrections in the non-flat space-time.
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.
Quadrature algorithms to the luminosity distance with a time-dependent dark energy model
Yue, Nan-Nan; Liu, De-Zi; Pei, Xiao-Xing; Zhang, Tong-Jie; Yang, Zhi-Liang; Zhu, Fang-Fang E-mail: bingzi@mail.bnu.edu.cn E-mail: fiona-90@live.cn E-mail: zlyang@bnu.edu.cn
2011-11-01
In our previous work [1], we have proposed two methods for computing the luminosity distance d{sub L}{sup Λ} in ΛCDM model. In this paper, two effective quadrature algorithms, known as Romberg Integration and composite Gaussian Quadrature, are presented to calculate the luminosity distance d{sub L}{sup CPL} in the Chevallier-Polarski-Linder parametrization(CPL) model. By comparing both the efficiency and accuracy of the two algorithms, we find that the second is more promising. Moreover, we develop another strategy adapted for approximating d{sub L}{sup Λ} in flat ΛCDM universe. To some extent, our methods can make contributions to the recent numerical stimulation for the investigation of dark energy cosmology.
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.
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.
NASA Astrophysics Data System (ADS)
Hung, L.; Guedj, C.; Bernier, N.; Blaise, P.; Olevano, V.; Sottile, F.
2016-04-01
We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m -HfO2) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic imaging measurements in a high-resolution transmission-electron microscope. Fermi's golden rule density-functional theory (DFT) calculations can capture the qualitative features of the energy-loss spectrum, but we find that TDDFT, which accounts for local-field effects, provides nearly quantitative agreement with experiment. Using the DFT density of states and TDDFT dielectric functions, we characterize the excitations that result in the m -HfO2 energy-loss spectrum. The sole plasmon occurs between 13 and 16 eV, although the peaks ˜28 and above 40 eV are also due to collective excitations. We furthermore elaborate on the first-principles techniques used, their accuracy, and remaining discrepancies among spectra. More specifically, we assess the influence of Hf semicore electrons (5 p and 4 f ) on the energy-loss spectrum, and find that the inclusion of transitions from the 4 f band damps the energy-loss intensity in the region above 13 eV. We study the impact of many-body effects in a DFT framework using the adiabatic local-density approximation (ALDA) exchange-correlation kernel, as well as from a many-body perspective using "scissors operators" matched to an ab initio G W calculation to account for self-energy corrections. These results demonstrate some cancellation of errors between self-energy and excitonic effects, even for excitations from the Hf 4 f shell. We also simulate the dispersion with increasing momentum transfer for plasmon and collective excitation peaks.
Heßelmann, Andreas
2015-04-14
Molecular excitation energies have been calculated with time-dependent density-functional theory (TDDFT) using random-phase approximation Hessians augmented with exact exchange contributions in various orders. It has been observed that this approach yields fairly accurate local valence excitations if combined with accurate asymptotically corrected exchange-correlation potentials used in the ground-state Kohn-Sham calculations. The inclusion of long-range particle-particle with hole-hole interactions in the kernel leads to errors of 0.14 eV only for the lowest excitations of a selection of three alkene, three carbonyl, and five azabenzene molecules, thus surpassing the accuracy of a number of common TDDFT and even some wave function correlation methods. In the case of long-range charge-transfer excitations, the method typically underestimates accurate reference excitation energies by 8% on average, which is better than with standard hybrid-GGA functionals but worse compared to range-separated functional approximations. PMID:26574370
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. PMID:24480701
Energy deposition and dynamic response of materials
NASA Astrophysics Data System (ADS)
Perry, Frank C.
1993-07-01
We are exploring new applications of the technology of energy deposition and dynamic response. Early studies involved analytical solutions of the coupled thermal and elastic response of materials to pulsed energy deposition. Experiments designed to test the theory led to determinations of thermal pressure coefficients for a variety of materials and an understanding of the effects of the time dependence of the energy source on dynamic response. Subsequent experiments at higher deposited energies required analysis by an energy deposition-wave propagation code to explain the observed elastic-plastic behavior. Instrumentation included laser interferometry and holographic interferometry for multi- dimensional response. A possible application of this technology to Biomedical Science is a technique to measure ion transport in biological material. It requires a combination of holographic interferometry and spectroscopy, namely, Resonant Holographic Interferometry Spectroscopy (RHIS). The technique involves the absorption and refraction of light near absorption lines. Stress waves arising from the absorbed light can be assessed with the energy deposition-wave propagation code. Such calculations will require the inclusion of appropriate biomaterial properties.
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)
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.
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.
NASA Astrophysics Data System (ADS)
Polidoro, B.; Iervolino, I.; Chioccarelli, E.; Giorgio, M.
2012-04-01
Probabilistic seismic hazard is usually computed trough a homogeneous Poisson process that even though it is a time-independent process it is widely used for its very convenient properties. However, when a single fault is of concern and/or the time scale is different from that of the long term, time-dependent processes are required. In this paper, different time-dependent models are reviewed with working examples. In fact, the Paganica fault (in central Italy) has been considered to compute both the probability of occurrence of at least one event in the lifespan of the structure, as well as the seismic hazard expressed in terms of probability of exceedance of an intensity value in a given time frame causing the collapse of the structure. Several models, well known or novel application to engineering hazard have been considered, limitation and issues in their applications are also discussed. The Brownian Passage Time (BPT) model is based on a stochastic modification of the deterministic stick-slip oscillator model for characteristic earthquakes; i.e., based on the addition of random perturbations (a Gaussian white noise) to the deterministic load path predicted by elastic rebound theory. This model assumes that the load state is at some ground level immediately after an event, increases steadly over time, reaches a failure threshold and relaxes instantaneously back to the ground level. For this model also a variable threshold has been considered to take into account the uncertainty of the threshold value. For the slip-predictable model it is assumed that the stress accumulates at a constant rate starting from some initial stress level. Stress is assumed to accumulate for a random period of time until an earthquake occurs. The size of the earthquake is governed by the stress release and it is a function of the elapsed time since the last event. In the time-predictable model stress buildup occurs at a constant rate until the accumulated stress reaches a threshold
Time-dependent absorption of very high-energy gamma-rays from the Galactic center by pair-production
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*.
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.
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.
Selfsimilar time dependent shock structures
NASA Technical Reports Server (NTRS)
Beck, R.; Drury, L. O.
1985-01-01
Diffusive shock acceleration as an astrophysical mechanism for accelerating charged particles has the advantage of being highly efficient. This means however that the theory is of necessity nonlinear; the reaction of the accelerated particles on the shock structure and the acceleration process must be self-consistently included in any attempt to develop a complete theory of diffusive shock acceleration. Considerable effort has been invested in attempting, at least partially, to do this and it has become clear that in general either the maximum particle energy must be restricted by introducing additional loss processes into the problem or the acceleration must be treated as a time dependent problem (Drury, 1984). It is concluded that stationary modified shock structures can only exist for strong shocks if additional loss processes limit the maximum energy a particle can attain. This is certainly possible and if it occurs the energy loss from the shock will lead to much greater shock compressions. It is however equally possible that no such processes exist and we must then ask what sort of nonstationary shock structure develops. The ame argument which excludes stationary structures also rules out periodic solutions and indeed any solution where the width of the shock remains bounded. It follows that the width of the shock must increase secularly with time and it is natural to examine the possibility of selfsimilar time dependent solutions.
Selfsimilar time dependent shock structures
NASA Astrophysics Data System (ADS)
Beck, R.; Drury, L. O.
1985-08-01
Diffusive shock acceleration as an astrophysical mechanism for accelerating charged particles has the advantage of being highly efficient. This means however that the theory is of necessity nonlinear; the reaction of the accelerated particles on the shock structure and the acceleration process must be self-consistently included in any attempt to develop a complete theory of diffusive shock acceleration. Considerable effort has been invested in attempting, at least partially, to do this and it has become clear that in general either the maximum particle energy must be restricted by introducing additional loss processes into the problem or the acceleration must be treated as a time dependent problem (Drury, 1984). It is concluded that stationary modified shock structures can only exist for strong shocks if additional loss processes limit the maximum energy a particle can attain. This is certainly possible and if it occurs the energy loss from the shock will lead to much greater shock compressions. It is however equally possible that no such processes exist and we must then ask what sort of nonstationary shock structure develops. The ame argument which excludes stationary structures also rules out periodic solutions and indeed any solution where the width of the shock remains bounded. It follows that the width of the shock must increase secularly with time and it is natural to examine the possibility of selfsimilar time dependent solutions.
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. PMID:27394109
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.
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
NASA Astrophysics Data System (ADS)
Colaïtis, A.; Hüller, S.; Pesme, D.; Duchateau, G.; Tikhonchuk, V. T.
2016-03-01
The Crossed Beam Energy Transfer (CBET) of two large laser beams is modeled using two approaches: (i) the time-independent Paraxial Complex Geometrical Optics (PCGO) for stochastically distributed Gaussian-shaped beamlets and (ii) the time-dependent conventional paraxial propagation of smoothed laser beams. Each description of the laser propagation is coupled to a hydrodynamics code. Both approaches are compared in a well-defined plasma configuration with density- and velocity- profiles corresponding to an inhomogeneous plasma, including a resonance zone in which the matching conditions for a resonant coupling between the two laser beams are fulfilled. The comparison is made for laser beams smoothed by random phase plates and for "regular beams" without speckles. The role of the laser speckles is also investigated for each approach. In general, a good agreement is found between the PCGO simulations and the fully time-dependent paraxial-type simulations, carried out with the code Harmony, past a transient period on the picosecond time scale. The PCGO-based CBET model is applied to the hydrodynamics simulations of a CBET experiment, the results of which reproduce essential features of the experimental data. Based on these comparisons, performed for interaction parameters up to 2 × 10 14 W cm - 2 μ m 2 , the PCGO approach proves to be a reliable method to be implemented in the hydrodynamics codes to describe the CBET in mm-scale plasmas.
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.
NASA Astrophysics Data System (ADS)
Bhaskaran, Renjith; Sarma, Manabendra
2014-09-01
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* 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* orbital of the base to the σ* 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.
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
NASA Astrophysics Data System (ADS)
Reiche, S.; Schlarb, H.
2000-05-01
For shorter bunches and narrower undulator gaps the interaction between the electrons in the bunch and the wake fields becomes so large that the FEL amplification is affected. For a typical vacuum chamber of an X-ray or VUV Free Electron Laser three major sources of wake fields exist: a resistance of the beam pipe, a change in the geometric aperture and the surface roughness of the beam pipe. The generated wake fields, which move along with the electrons, change the electron energy and momentum, depending on the electron longitudinal and transverse position. In particular, the accumulated energy modulation shifts the electrons away from the resonance condition. Based on an analytic model the energy loss by the wake fields has been incorporated into the time-dependent FEL simulation code GENESIS 1.3. For the parameters of the TESLA Test Facility the influence of the bunch length, beam pipe diameter and surface roughness has been studied. The results are presented in this paper.
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. PMID:26436891
Ziegler, Tom; Seth, Michael; Krykunov, Mykhaylo; Autschbach, Jochen; Wang, Fan
2009-04-21
It is shown that it is possible to derive the basic eigenvalue equation of adiabatic time-dependent density functional theory within the Tamm-Dancoff approximation (TD-DFT/TD) from a variational principle. The variational principle is applied to the regular Kohn-Sham formulation of DFT energy expression for a single Slater determinant and leads to the same energy spectrum as TD-DFT/TD. It is further shown that this variational approach affords the same electric and magnetic transition moments as TD-DFT/TD. The variational scheme can also be applied without the Tamm-Dancoff approximation. Practical implementations of TD-DFT are limited to second order response theory which introduces errors in transition energies for charge transfer and Rydberg excitations. It is indicated that higher order terms can be incorporated into the variational approach. It is also discussed how the current variational method is related to traditional DFT schemes based on variational principles such as DeltaSCF-DFT, and how they can be combined. PMID:19388731
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.
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.
NASA Astrophysics Data System (ADS)
Liu, Jie; Liang, WanZhen
2013-01-01
This work extends our previous works [J. Liu and W. Z. Liang, J. Chem. Phys. 135, 014113 (2011), 10.1063/1.3605504; J. Liu and W. Z. Liang, J. Chem. Phys. 135, 184111 (2011)], 10.1063/1.3659312 on analytical excited-state Hessian within the framework of time-dependent density functional theory (TDDFT) to couple with a conductor-like polarizable continuum model (CPCM). The formalism, implementation, and application of analytical first and second energy derivatives of TDDFT/CPCM excited state with respect to the nuclear and electric perturbations are presented. Their performances are demonstrated by the calculations of excitation energies, excited-state geometries, and harmonic vibrational frequencies for a number of benchmark systems. The calculated results are in good agreement with the corresponding experimental data or other theoretical calculations, indicating the reliability of the current computer implementation of the developed algorithms. Then we made some preliminary applications to calculate the resonant Raman spectrum of 4-hydroxybenzylidene-2,3-dimethyl-imidazolinone in ethanol solution and the infrared spectra of ground and excited states of 9-fluorenone in methanol solution.
Dixon, David A; Gole, James L
2005-08-11
Time-dependent density functional theory calculations with a proper treatment of the asymptotic form of the exchange-correlation potential have been performed on R(R')Si=O to predict vertical excitation energies. The species R(R')Si=O is used as a model for the binding of the -(R)Si=O chromophore to a porous silicon surface. The calculated vertical excitation energies are substantially lower than those determined previously and show that vertical excitation of the lone chromophore is possible for all types of substituents including electronegative ones with KrF laser excitation in contrast to other predictions. If the substituents are electropositive, the chromophore can also be excited by a nitrogen laser. These results, in concert with the effect of the porous silicon surface on the R(R')Si=O excited states, confirm our previous explanation of the photoluminescence of porous silicon as being due to the presence of Si=O chromophores and provide new insights into the photoexcitation process. The results show that the differences in the vertical and adiabatic excitation energies are strongly dependent on whether the substituents are electronegative or electropositive with the former leading to larger differences and the latter leading to smaller differences. The results for the energy differences are explained in terms of the changes in the Si=O bond length on vertical excitation and on the changes in bond angles, which are related to the ability of the Si center in the excited state to undergo an inversion process. PMID:16852877
Time-dependent drift Hamiltonian
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.
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 (TTFcCBPQT^{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. 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.
Endo, A; Henshaw, J; Mignanelli, M A
1998-04-01
Time-dependent chemical compositions for 13N and 15O induced in the air atmosphere of a high energy electron accelerator room have been studied using a computer simulation method. A radiation chemistry model was developed to describe the chemical reactions of 13N and 15O species with the air molecules and their radiolytic products. By assuming several chemical forms of 13N and 15O generated by the (gamma, n) reaction, the variations of the concentrations of 13N and 15O species were simulated under a radiation field. From the comparison between the simulations and experiment in a 100 MeV electron linear accelerator (linac) facility, the following conclusions were obtained: (1) Just after the (gamma, n) reaction, 25-50% of 13N and 15O are present as atoms (13N, 15O) and/or their ions (13N+, 15O+) and the remainder as nitrogen and oxygen molecules (13NN, 15OO) and/or their ions (13NN+, 15OO+); (2) Neutralization of 13N+ and 15O+ ions into 13N and 15O atoms occurs instantaneously and the same is the case with the neutralization of 13NN+ and 15OO+ ions to 13NN and 15OO molecules; (3) The neutralized 13N and 15O atoms react with the air molecules and the radiolytic products to form nitrogen oxide compounds and ozone, while 13NN and 15OO remain as these molecules. Factors that control the chemical reactions of 13N and 15O are discussed. PMID:9525420
Time dependent view factor methods
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.
Analytic Time Depending Galaxy Models
NASA Astrophysics Data System (ADS)
Sala, F.
1990-11-01
RESUMEN. Considerando las hip6tesis de Chandrasekhar para el estudjo de la GalActicaq se han desarrollado varios modelos analiticos integrables con simetria axial y dependientes del . . By considering Chandrasekhar hypotheses +or the study o+ Galactic Dynamics, several integrable analytic axisymmetric time-depending galactic models have been developed. Ke ords; GALAXY-DYNAMICS - GALAXY-STRUCTURE
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.
Time-Dependent Reliability Analysis
Energy Science and Technology Software Center (ESTSC)
1999-10-27
FRANTIC-3 was developed to evaluate system unreliability using time-dependent techniques. The code provides two major options: to evaluate standby system unavailability or, in addition to the unavailability to calculate the total system failure probability by including both the unavailability of the system on demand as well as the probability that it will operate for an arbitrary time period following the demand. The FRANTIC-3 time dependent reliability models provide a large selection of repair and testingmore » policies applicable to standby or continously operating systems consisting of periodically tested, monitored, and non-repairable (non-testable) components. Time-dependent and test frequency dependent failures, as well as demand stress related failure, test-caused degradation and wear-out, test associated human errors, test deficiencies, test override, unscheduled and scheduled maintenance, component renewal and replacement policies, and test strategies can be prescribed. The conditional system unavailabilities associated with the downtimes of the user specified failed component are also evaluated. Optionally, the code can perform a sensitivity study for system unavailability or total failure probability to the failure characteristics of the standby components.« less
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.
NASA Technical Reports Server (NTRS)
Hoffman, David K.; Sharafeddin, Omar; Judson, Richard S.; Kouri, Donald J.
1990-01-01
The time-dependent form of the Lippmann-Schwinger integral equation is used as the basis of several new wave packet propagation schemes. These can be formulated in terms of either the time-dependent wave function or a time-dependent amplitude density. The latter is nonzero only in the region of configuratiaon space for which the potential is nonzero, thereby in principle obviating the necessity of large grids or the use of complex absorbing potentials when resonances cause long collision times (leading, consequently, to long propagation times). Transition amplitudes are obtained in terms of Fourier transforms of the amplitude density from the time to the energy domain. The approach is illustrated by an application to a standard potential scattering model problem where, as in previous studies, the action of the kinetic energy operator is evaluated by fast Fourier transform (FFT) techniques.
Network-timing-dependent plasticity.
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
Network-timing-dependent plasticity
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
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.
Pulsar Electrodynamics: a Time-dependent View
Spitkovsky, Anatoly; /KIPAC, Menlo Park
2006-04-10
Pulsar spindown forms a reliable yet enigmatic prototype for the energy loss processes in many astrophysical objects including accretion disks and back holes. In this paper we review the physics of pulsar magnetospheres, concentrating on recent developments in force-free modeling of the magnetospheric structure. In particular, we discuss a new method for solving the equations of time-dependent force-free relativistic MHD in application to pulsars. This method allows to dynamically study the formation of the magnetosphere and its response to perturbations, opening a qualitatively new window on pulsar phenomena. Applications of the method to other magnetized rotators, such as magnetars and accretion disks, are also discussed.
Localized flow control with energy deposition
NASA Astrophysics Data System (ADS)
Adelgren, Russell Gene
A series of experiments with energy deposition via laser-induced optical breakdown of air, i.e., a laser spark, have been performed. These experiments have demonstrated the possibility of using a laser spark for supersonic flow control. In the first of these experiments, Rayleigh scattering flow visualization was taken for energy deposition into quiescent air. A time sequence of images showed the post breakdown fluid motion created by the laser spark for different laser energy levels. Blast wave radius and wave speed measurements were made and correlated to five different laser energy deposition levels. Laser energy was deposited upstream of a sphere in Mach 3.45 flow. The energy was deposited one sphere diameter and 0.6 diameters upstream of the front of the sphere. The frontal surface pressure on the sphere was recorded as the laser spark perturbed region interacted with the flow about the sphere. Tests for three different energy levels and two different incident laser beam diameters were completed. It has been demonstrated that the peak surface pressure associated with the Edney IV interaction can be momentarily reduced by 30% by the interaction with the thermal spot created by the laser spark. The effects of laser energy deposition on another shock interaction phenomena were studied. Laser energy deposition was used to modify the shock structure formed by symmetric wedges at Mach 3.45 within the dual solution domain. It was demonstrated experimentally that the Mach reflection could be reduced by 80% momentarily. The numerical simulations show a transition from the stable Mach reflection to a stable regular reflection. Two energy deposition methods (electric arcing and laser energy deposition) were used to force and control compressible mixing layers of axisymmetric jets. The energy deposition forcing methods have been experimentally investigated with the schlieren technique, particle image velocimetry, Mie scattering, and static pressure probe diagnostic
NASA Astrophysics Data System (ADS)
Casida, Mark E.; Gutierrez, Fabien; Guan, Jingang; Gadea, Florent-Xavier; Salahub, Dennis; Daudey, Jean-Pierre
2000-11-01
Time-dependent density-functional theory (TDDFT) is an increasingly popular approach for calculating molecular excitation energies. However, the TDDFT lowest triplet excitation energy, ωT, of a closed-shell molecule often falls rapidly to zero and then becomes imaginary at large internuclear distances. We show that this unphysical behavior occurs because ωT2 must become negative wherever symmetry breaking lowers the energy of the ground state solution below that of the symmetry unbroken solution. We use the fact that the ΔSCF method gives a qualitatively correct first triplet excited state to derive a "charge-transfer correction" (CTC) for the time-dependent local density approximation (TDLDA) within the two-level model and the Tamm-Dancoff approximation (TDA). Although this correction would not be needed for the exact exchange-correlation functional, it is evidently important for a correct description of molecular excited state potential energy surfaces in the TDLDA. As a byproduct of our analysis, we show why TDLDA and LDA ΔSCF excitation energies are often very similar near the equilibrium geometries. The reasoning given here is fairly general and it is expected that similar corrections will be needed in the case of generalized gradient approximations and hybrid functionals.
NASA Astrophysics Data System (ADS)
Salah, Wa'el; Coacolo, J.-L.; Hallak, A. B.; Al-Obaid, M.
2006-08-01
The energy loss by an accelerated electron bunch of a conical shape propagating in the laser-driven RF-photoinjector is expressed in terms of an expansion of the vector and scalar potentials into a series of eigenfunctions of the empty unit "pill-box" cavity. A versatile and simple analytical formula which can be easily applied to a bunch of any shape is obtained.
Pseudospectral time-dependent density functional theory
NASA Astrophysics Data System (ADS)
Ko, Chaehyuk; Malick, David K.; Braden, Dale A.; Friesner, Richard A.; Martínez, Todd J.
2008-03-01
Time-dependent density functional theory (TDDFT) is implemented within the Tamm-Dancoff approximation (TDA) using a pseudospectral approach to evaluate two-electron repulsion integrals. The pseudospectral approximation uses a split representation with both spectral basis functions and a physical space grid to achieve a reduction in the scaling behavior of electronic structure methods. We demonstrate here that exceptionally sparse grids may be used in the excitation energy calculation, following earlier work employing the pseudospectral approximation for determining correlation energies in wavefunction-based methods with similar conclusions. The pseudospectral TDA-TDDFT method is shown to be up to ten times faster than a conventional algorithm for hybrid functionals without sacrificing chemical accuracy.
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.
Energy deposition in STARFIRE reactor components
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.
Energy deposition of corpuscular radiation in the middle atmosphere
NASA Technical Reports Server (NTRS)
Kudela, K.
1989-01-01
Main components of corpuscular radiation contributing to energy deposition (ED in eV/cu cm/s) in the atmosphere (10 to 100 km) are cosmic ray nuclei (CR - galactic and solar) and high energy electrons (HEE), mainly of magnetospheric origin. Galactic CR depending on solar cycle phase and latitude are dominant source of ED by corpuscular radiation below 50 to 60 km. Below 20 km secondaries must be assumed. More accurate treatment need assuming of individual HE solar flare particles, cut off rigidities in geomagnetic field and their changes during magnetospheric disturbances. Electrons E sub e greater than 30 keV of magnetospheric origin penetrating to atmosphere contribute to production rate below 100 km especially on night side. High temporal variability, local time dependence and complicated energy spectra lead to complicated structure of electron ED rate. Electrons of MeV energy found at geostationary orbit, pronouncing relation to solar and geomagnetic activity, cause maximum ED at 40 to 60 km. Monitoring the global distribution of ED by corpuscular radiation in middle atmosphere need continuing low altitude satellite measurements of both HEE and x ray BS from atmosphere as well as measurements of energy spectra and charge composition of HE solar flare particles.
Time-dependent behavior of positrons in noble gases
Wadehra, J.M. . Dept. of Physics and Astronomy); Drallos, P.J. )
1990-01-01
Both equilibrium and nonequilibrium behaviors of positrons in several noble gases are reviewed. Our novel procedure for obtaining the time-dependent behavior of various swarm parameters -- such as the positron drift velocity, average positron energy, positron annihilation rate (or equivalently Z{sub eff}) etc. -- for positrons in pure ambient gases subjected to external electrostatic fields is described. Summaries of time-dependent as well as electric field-dependent results for positron swarms in various noble gases are presented. New time-dependent results for positron swarms in neon are also described in detail. 36 refs., 4 figs., 3 tabs.
Time-dependent manipulation of ultracold ion bunches
NASA Astrophysics Data System (ADS)
Reijnders, M. P.; Debernardi, N.; van der Geer, S. B.; Mutsaers, P. H. A.; Vredenbregt, E. J. D.; Luiten, O. J.
2011-02-01
The combination of an ultracold ion source based on photoionization of a laser-cooled gas and time-dependent acceleration fields enables precise manipulation of ion beams. We demonstrate reduction in the longitudinal energy spread and transverse (de)focusing of the beam by applying time-dependent acceleration voltages. In addition, we show how time-dependent acceleration fields can be used to control both the sign and strength of the spherical aberrations. The experimental results are in close agreement with detailed charged particle tracking simulations and can be explained in terms of a simple analytical model.
Time-dependent nanomechanics of cartilage.
Han, Lin; Frank, Eliot H; Greene, Jacqueline J; Lee, Hsu-Yi; Hung, Han-Hwa K; Grodzinsky, Alan J; Ortiz, Christine
2011-04-01
In this study, atomic force microscopy-based dynamic oscillatory and force-relaxation indentation was employed to quantify the time-dependent nanomechanics of native (untreated) and proteoglycan (PG)-depleted cartilage disks, including indentation modulus E(ind), force-relaxation time constant τ, magnitude of dynamic complex modulus |E(∗)|, phase angle δ between force and indentation depth, storage modulus E', and loss modulus E″. At ∼2 nm dynamic deformation amplitude, |E(∗)| increased significantly with frequency from 0.22 ± 0.02 MPa (1 Hz) to 0.77 ± 0.10 MPa (316 Hz), accompanied by an increase in δ (energy dissipation). At this length scale, the energy dissipation mechanisms were deconvoluted: the dynamic frequency dependence was primarily governed by the fluid-flow-induced poroelasticity, whereas the long-time force relaxation reflected flow-independent viscoelasticity. After PG depletion, the change in the frequency response of |E(∗)| and δ was consistent with an increase in cartilage local hydraulic permeability. Although untreated disks showed only slight dynamic amplitude-dependent behavior, PG-depleted disks showed great amplitude-enhanced energy dissipation, possibly due to additional viscoelastic mechanisms. Hence, in addition to functioning as a primary determinant of cartilage compressive stiffness and hydraulic permeability, the presence of aggrecan minimized the amplitude dependence of |E(∗)| at nanometer-scale deformation. PMID:21463599
Time-Dependent Nanomechanics of Cartilage
Han, Lin; Frank, Eliot H.; Greene, Jacqueline J.; Lee, Hsu-Yi; Hung, Han-Hwa K.; Grodzinsky, Alan J.; Ortiz, Christine
2011-01-01
In this study, atomic force microscopy-based dynamic oscillatory and force-relaxation indentation was employed to quantify the time-dependent nanomechanics of native (untreated) and proteoglycan (PG)-depleted cartilage disks, including indentation modulus Eind, force-relaxation time constant τ, magnitude of dynamic complex modulus |E∗|, phase angle δ between force and indentation depth, storage modulus E′, and loss modulus E″. At ∼2 nm dynamic deformation amplitude, |E∗| increased significantly with frequency from 0.22 ± 0.02 MPa (1 Hz) to 0.77 ± 0.10 MPa (316 Hz), accompanied by an increase in δ (energy dissipation). At this length scale, the energy dissipation mechanisms were deconvoluted: the dynamic frequency dependence was primarily governed by the fluid-flow-induced poroelasticity, whereas the long-time force relaxation reflected flow-independent viscoelasticity. After PG depletion, the change in the frequency response of |E∗| and δ was consistent with an increase in cartilage local hydraulic permeability. Although untreated disks showed only slight dynamic amplitude-dependent behavior, PG-depleted disks showed great amplitude-enhanced energy dissipation, possibly due to additional viscoelastic mechanisms. Hence, in addition to functioning as a primary determinant of cartilage compressive stiffness and hydraulic permeability, the presence of aggrecan minimized the amplitude dependence of |E∗| at nanometer-scale deformation. PMID:21463599
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.
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.
Cosmological evolution of cosmic strings with time-dependent tension
Yamaguchi, Masahide
2005-08-15
We discuss the cosmological evolution of cosmic strings with time-dependent tension. We show that, in the case that the tension changes as a power of time, the cosmic string network obeys the scaling solution: the characteristic scale of the string network grows with the time. But due to the time dependence of the tension, the ratio of the energy density of infinite strings to that of the background universe is not necessarily constant.
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.
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.
Laser energy deposition and its dynamic uniformity for direct-drive capsules
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.
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.
Topic 5: Time-Dependent Behavior
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.
Time dependent breakdown in silicon dioxide films
NASA Technical Reports Server (NTRS)
Svensson, C.; Shumka, A.
1975-01-01
An investigation was conducted regarding the possible existence of a time-dependent breakdown mechanism in thermal oxides of the type used as gate oxide in MOS circuits. Questions of device fabrication are discussed along with details concerning breakdown measurements and the determination of C-V characteristics. A relatively large prebreakdown current observed in one of the cases is related to the time-dependent breakdown.
NASA Astrophysics Data System (ADS)
Zeng, Qiao; Liu, Jie; Liang, WanZhen
2014-05-01
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.
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.
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. PMID:24832314
Niobium Thin Film Properties Affected by Deposition Energy during Vacuum Deposition
Genfa Wu; H. Phillips; Ronald Sundelin; Anne-Marie Valente
2003-05-01
In order to understand and improve the super-conducting performance of niobium thin films at cryogenic temperatures, an energetic vacuum deposition system has been developed to study deposition energy effects on the properties of niobium thin films on various substrates. Ultra high vacuum avoids the gaseous inclusions in thin films commonly seen in sputtering deposition. A retarding field energy analyzer is used to measure the kinetic energy of niobium ions at the substrate location. A biased substrate holder controls the deposition energy. Transition temperature and residual resistivity ratio (RRR) of the niobium thin films at several deposition energies are obtained together with crystal orientation measurements and atomic force microscope (AFM) inspection, and the results show that there exists a preferred deposition energy around 115eV (the average deposition energy 64 eV plus the 51 V bias voltage).
Time-dependent corona models - Scaling laws
NASA Technical Reports Server (NTRS)
Korevaar, P.; Martens, P. C. H.
1989-01-01
Scaling laws are derived for the one-dimensional time-dependent Euler equations that describe the evolution of a spherically symmetric stellar atmosphere. With these scaling laws the results of the time-dependent calculations by Korevaar (1989) obtained for one star are applicable over the whole Hertzsprung-Russell diagram and even to elliptic galaxies. The scaling is exact for stars with the same M/R-ratio and a good approximation for stars with a different M/R-ratio. The global relaxation oscillation found by Korevaar (1989) is scaled to main sequence stars, a solar coronal hole, cool giants and elliptic galaxies.
Investigations of Low Temperature Time Dependent Cracking
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.
Time-Dependent Molecular Reaction Dynamics
Oehrn, Yngve
2007-11-29
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.
Energy deposition via magnetoplasmadynamic acceleration: II. modeling and performance predictions
NASA Astrophysics Data System (ADS)
Mikellides, P. G.; England, B.; Gilland, J. H.
2009-02-01
A time-dependent, two-dimensional, axisymmetric magnetohydrodynamics code is employed to model, validate and extend the experimentally-limited performance characteristics of a gigawatt-level plasma source that utilized magnetoplasmadynamic (MPD) acceleration for gas energy deposition. Accurate modeling required an upgrade of the code's circuit routines to properly capture the pulse-forming-network current waveform which also serves as the primary variable for validation. Comparisons with experimentally deduced current waveforms were in good agreement for all power levels. The simulations also produced values for the plasma voltage which were compared with the measured voltage across the electrodes. The trend agreement was encouraging while the magnitude of the discrepancy is approximately constant and interpreted as a representation of the electrode fall voltage. Force computations captured the expected electromagnetic acceleration trends and serve as further verification. They also allow examination of the device as a very high power MPD thruster operating at power levels in excess of 180 MW. The computations offer insights into the plasma's characteristics at different power levels through two-dimensional distributions of pertinent parameters and identify design guidelines for effective stagnation temperature values as a function of the mass-flow rate.
Wave function for time-dependent harmonically confined electrons in a time-dependent electric field.
Li, Yu-Qi; Pan, Xiao-Yin; Sahni, Viraht
2013-09-21
The many-body wave function of a system of interacting particles confined by a time-dependent harmonic potential and perturbed by a time-dependent spatially homogeneous electric field is derived via the Feynman path-integral method. The wave function is comprised of a phase factor times the solution to the unperturbed time-dependent Schrödinger equation with the latter being translated by a time-dependent value that satisfies the classical driven equation of motion. The wave function reduces to that of the Harmonic Potential Theorem wave function for the case of the time-independent harmonic confining potential. PMID:24070284
Energetic particle energy deposition in Titan's upper atmosphere
NASA Astrophysics Data System (ADS)
Westlake, J. H.; Smith, H. T.; Mitchell, D. G.; Paranicas, C. P.; Rymer, A. M.; Bell, J. M.; Waite, J. H., Jr.; Mandt, K. E.
2012-04-01
Titan’s upper atmosphere has been observed to be variable on a pass-by-pass basis. During the nominal mission where the Cassini Ion and Neutral Mass Spectrometer (INMS) only sampled the northern hemisphere this variability was initially believed to be tied to solar drivers manifest in latitudinal variations in the thermal structure of the upper atmosphere. However, when Cassini delved into the southern hemisphere the latitudinal dependence was not present in the data. Recently, Westlake et al. (2011) showed that the pass-by-pass variability is correlated with the deviations in the plasma environment as identified by Rymer et al. (2009) and Simon et al. (2010). Furthermore, the studies of Westlake et al. (2011) and Bell et al. (2011) showed that Titan’s upper atmosphere responds to changes in the ambient magnetospheric plasma on timescales of roughly one Titan day (16 Earth days). We report on recent studies of energy deposition in Titan’s upper atmosphere. Previous studies by Smith et al. (2009), Cravens et al. (2008), Tseng et al. (2008), and Shah et al. (2009) reported on energetic proton and oxygen ion precipitation. Back of the envelope calculations by Sittler et al. (2009) showed that magnetospheric energy inputs are expected to be of the order of or greater than the solar processes. We report on further analysis of the plasma environment around Titan during the flybys that the INMS has good data. We utilize data from the Magnetospheric Imaging Instrument to determine how the magnetospheric particle population varies from pass to pass and how this influences the net magnetospheric energy input prior to the flyby. We also report on enhanced energetic neutral atom emissions during select highly energetic passes. References: Bell, J., et al.: “Simulating the time-dependent response of Titan's upper atmosphere to periods of magnetospheric forcing”. Geophys. Res. Lett., Vol. 38, L06202, 2011. Rymer, A. M., et al.: “Discrete classification and electron
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.
Acceleration in a nonplanar time-dependent billiard.
Raeisi, Sedighe; Eslami, Parvin
2016-08-01
We study the dynamical properties of a particle in a nonplanar square billiard. The plane of the billiard has a sinusoidal shape. We consider both the static and time-dependent plane. We study the affect of different parameters that control the geometry of the billiard in this model. We consider variations of different parameters of the model and describe how the particle trajectory is affected by these parameters. We also investigate the dynamical behavior of the system in the static condition using its reduced phase plot and show that the dynamics of the particle inside the billiard may be regular, mixed, or chaotic. Finally, the problem of the particle energy growth is studied in the billiard with the time-dependent plane. We show that when in the static case, the billiard is chaotic, then the particle energy in the time-dependent billiard grows for a small number of collisions, and then it starts to saturate. But when the dynamics of the static case is regular, then the particle average energy in the time-dependent situation stays constant. PMID:27627308
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.
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.
Time-dependent projected Hartree-Fock
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.
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).
Time-dependent projected Hartree-Fock
NASA Astrophysics Data System (ADS)
Tsuchimochi, Takashi; Van Voorhis, Troy
2015-03-01
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 H2, F2 and O3 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.
Modeling Atmospheric Energy Deposition (by energetic ions)
NASA Astrophysics Data System (ADS)
Parkinson, C. D.; Brain, D. A.; Lillis, R. J.; Liemohn, M. W.; Bougher, S. W.
2011-12-01
deposition is conducted including a comparison of the influence relative to other energy sources (namely EUV photons) and previous efforts using the guiding center 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
Time-dependent Dyson orbital theory.
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. PMID:26987972
Topologically nontrivial time-dependent chiral condensates
Suzuki, M.
1996-11-01
Topologically nontrivial time-dependent solutions of the classical nonlinear {sigma} model are studied as candidates of the disoriented chiral condensate (DCC) in 3+1 dimensions. Unlike the analytic solutions so far discussed, these solutions cannot be transformed into isospin-uniform ones by chiral rotations. If they are produced as DCC{close_quote}s, they can be detected by a distinct pattern in the angle-rapidity distribution of the neutral-to-charged pion ratio. {copyright} {ital 1996 The American Physical Society.}
Boosting thermoelectric efficiency using time-dependent control
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
Boosting thermoelectric efficiency using time-dependent control.
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
Sublinear scaling for time-dependent stochastic density functional theory
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.
Time-Dependent Delayed Signatures from Energetic Photon Interrogations
Daren R. Norman; James L. Jones; Brandon W. Blackburn; Kevin J. Haskell; James T. Johnson; Scott M. Watson; Alan W. Hunt; Randy Spaulding; Frank Harmon
2007-08-01
Pulsed photonuclear interrogation environments generated by 8–24 MeV electron linac are rich with time-dependent, material-specific, radiation signatures. Nitrogen-based explosives and nuclear materials can be detected by exploiting these signatures in different delayed-time regions. Numerical and experimental results presented in this paper show the unique time and energy dependence of these signatures. It is shown that appropriate delayed-time windows are essential to acquire material-specific signatures in pulsed photonuclear assessment environments. These developments demonstrate that pulsed, high-energy, photon-inspection environments can be exploited for time-dependent, material-specific signatures through the proper operation of specialized detectors and detection methods.
Time-Dependent Delayed Signatures from Energetic Photon Interrogations
Daren R. Norman; James L. Jones; Brandon W. Blackburn; Kevin J. Haskell; James T. Johnson; Scott M. Watson; Alan W. Hunt; Randy Spaulding; Frank Harmon
2007-08-01
Pulsed photonuclear interrogation environments generated by 8–24 MeV electron linac are rich with time-dependent, material-specific, radiation signatures. Nitrogen-based explosives and nuclear materials can be detected by exploiting these signatures in different delayed-time regions. Numerical and experimental results presented in this paper show the unique time and energy dependence of these signatures. It is shown that appropriate delayed-time windows are essential to acquire material-specific signatures in the pulsed photonuclear assessment (PPA) environments. These developments demonstrate that pulsed, high-energy, photon- inspection environments can be exploited for time-dependent, material-specific signatures through the proper operation of specialized detectors and detection methods.
The time-dependent Gutzwiller approximation
NASA Astrophysics Data System (ADS)
Fabrizio, Michele
2015-03-01
The time-dependent Gutzwiller Approximation (t-GA) is shown to be capable of tracking the off-equilibrium evolution both of coherent quasiparticles and of incoherent Hubbard bands. The method is used to demonstrate that the sharp dynamical crossover observed by time-dependent DMFT in the quench-dynamics of a half-filled Hubbard model can be identified within the t-GA as a genuine dynamical transition separating two distinct physical phases. This result, strictly variational for lattices of infinite coordination number, is intriguing as it actually questions the occurrence of thermalization. Next, we shall present how t-GA works in a multi-band model for V2O3 that displays a first-order Mott transition. We shall show that a physically accessible excitation pathway is able to collapse the Mott gap down and drive off-equilibrium the insulator into a metastable metal phase. Work supported by the European Union, Seventh Framework Programme, under the project GO FAST, Grant Agreement No. 280555.
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.
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
Time-Dependent Delayed Signatures From Energetic Photon Interrogations
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.
Tokamak power reactor ignition and time dependent fractional power operation
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.
Time-dependent nonlinear cosmic ray shocks confirming abstract
NASA Technical Reports Server (NTRS)
Dorfi, E. A.
1985-01-01
Numerical studies of time dependent cosmic ray shock structures in planar geometry are interesting because analytical time-independent solutions are available which include the non-linear reactions on the plasma flow. A feature of these time asymptotic solutions is that for higher Mach numbers (M approximately 5) and for a low cosmic ray upstream pressure the solution is not uniquely determined by the usual conservation laws of mass, momentum and energy. These numerical solutions clearly indicate that much work needs to be done before we understand shock acceleration as a time dependent process. The slowness of the process is possibly due to the fact that there is a diffusive flux into the downstream region in addition to the usual advective losses. Analytic investigations of thie phenomenon are required.
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.
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.
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.
Time dependent friction in a free gas
NASA Astrophysics Data System (ADS)
Fanelli, Cristiano; Sisti, Francesco; Stagno, Gabriele V.
2016-03-01
We consider a body moving in a perfect gas, described by the mean-field approximation and interacting elastically with the body, we study the friction exerted by the gas on the body fixed at constant velocities. The time evolution of the body in this setting was studied in Caprino et al. [Math. Phys. 264, 167-189 (2006)], Caprino et al. [Math. Models Methods Appl. Sci. 17, 1369-1403 (2007)], and Cavallaro [Rend. Mat. Appl. 27, 123-145 (2007)] for object with simple shape; the first study where a simple kind of concavity was considered was in Sisti and Ricciuti [SIAM J. Math. Anal. 46, 3759-3611 (2014)], showing new features in the dynamic but not in the friction term. The case of more general shape of the body was left out for further difficulties, and we believe indeed that there are actually non-trivial issues to be faced for these more general cases. To show this and in the spirit of getting a more realistic perspective in the study of friction problems, in this paper, we focused our attention on the friction term itself, studying its behavior on a body with a more general kind of concavity and fixed at constant velocities. We derive the expression of the friction term for constant velocities, we show how it is time dependent, and we give its exact estimate in time. Finally, we use this result to show the absence of a constant velocity in the actual dynamic of such a body.
Alternative time-dependent optimized effective potential
NASA Astrophysics Data System (ADS)
Nazarov, Vladimir
2013-03-01
The OEP is known as a single-particle potential minimizing the expectation value of a many-body Hamiltonian on the set of eigen-functions of a single-particle Hamiltonian. The time-dependent (TD) OEP can be constructed with the TD quantum stationary-action principle. Very useful conceptually in DFT and TDDFT, both OEPs are not practicable due to the complexity of their implementations. Here we report a TDOEP by minimizing the difference of LHS and RHS of the TD Schrödinger equation. If the orbitals are varied, then the TD Hartree-Fock equations are reproduced. Similarly, we now find the OEP. New OMP does not involve the inversion of the density-response function χs, which greatly facilitates implementations. Accordingly, the exchange-correlation kernel fxc involves of χs- 1 only, not its quadratic counterpart. To show the power of this method, we work out the fxch (q , ω) of the homogeneous electron gas to be used with the nearly-free electrons theory, where fxch is the main input. Partial support from National Science Council, Taiwan, Grant No. 100-2112-M-001-025-MY3 is acknowledged.
Dosing time-dependent actions of psychostimulants.
Manev, H; Uz, T
2009-01-01
The concept of the dosing time-dependent (DTD) actions of drugs has been used to describe the effects of diurnal rhythms on pharmacological responsiveness. Notwithstanding the importance of diurnal variability in drug pharmacokinetics and bioavailability, it appears that in the central nervous system (CNS), the DTD actions of psychotropic drugs involve diurnal changes in the CNS-specific expression of genes encoding for psychotropic drug targets and transcription factors known as clock genes. In this review, we focused our discussion on the DTD effects of the psychostimulants cocaine and amphetamines. Both cocaine and amphetamines produce differential lasting behavioral alterations, that is, locomotor sensitization, depending on the time of the day they are administered. This exemplifies a DTD action of these drugs. The DTD effects of these psychostimulants correlate with diurnal changes in the system of transcription factors termed clock genes, for example, Period 1, and with changes in the availability of certain subtypes of dopamine receptors, for example, D2 and D3. Diurnal synthesis and release of the pineal hormone melatonin influence the DTD behavioral actions of cocaine and amphetamines. The molecular mechanism of melatonin's effects on the responsiveness of CNS to psychostimulants appears to involve melatonin receptors and clock genes. It is proposed that the DTD characteristics of psychostimulant action and the contributions of the melatonergic system may have clinical implications that include treatments for the attention deficit hyperactivity disorder and possibly neurotoxicity/neuroprotection. PMID:19897073
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.
Time dependence of Hawking radiation entropy
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}.
Time-dependence in mixture toxicity prediction
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
2014-01-01
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 r2 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 (r2 = 0.989, n = 25) and true mixtures (r2 = 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. PMID:25446331
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.
Time-Dependent Rate Phenomenon in Viruses
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
Time-dependent coupled-cluster method for atomic nuclei
Pigg, David A; Hagen, Gaute; Nam, Hai Ah; Papenbrock, Thomas F
2012-01-01
We study time-dependent coupled-cluster theory in the framework of nuclear physics. Based on Kvaal's bi-variational formulation of this method [S. Kvaal, arXiv:1201.5548], we explicitly demonstrate that observables that commute with the Hamiltonian are conserved under time evolution. We explore the role of the energy and of the similarity-transformed Hamiltonian under real and imaginary time evolution and relate the latter to similarity renormalization group transformations. Proof-of-principle computations of He-4 and O-16 in small model spaces, and computations of the Lipkin model illustrate the capabilities of the method
Time-Dependent Electronic Populations in Fragment-Based Time-Dependent Density Functional Theory.
Mosquera, Martín A; Wasserman, Adam
2015-08-11
Conceiving a molecule as being composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient algorithms can be proposed to address problems in the description of chemical bond formation and breaking. We present a formally exact time-dependent density functional theory for the electronic dynamics of molecular fragments with a variable number of electrons. This new formalism is an extension of previous work [Phys. Rev. Lett. 111, 023001 (2013)]. We also introduce a stable density-inversion method that is applicable to time-dependent and ground-state density functional theories and their extensions, including those discussed in this work. PMID:26574438
Progress Report on Alloy 617 Time Dependent Allowables
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
Relativistic Coulomb excitation within the time dependent superfluid local density approximation
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 ^{238}U. 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.
MCNPX benchmark of in-beam proton energy deposition
Corzine, K.; Ferguson, P.; Morgan, G.; Quintana, D.; Waters, L.; Cooper, R.; Liljestrand, R.; Whiteson, A.
2000-07-01
The MCNPX code is being used to calculate energy deposition in the accelerator production of tritium (APT) target/blanket system components. To ensure that these components are properly designed, the code must be validated. An energy deposition experiment was designed to aid in the code validation using thermocouple sensors in-beam and thermistor-type sensors in decoupler- and blanketlike regions. This paper focuses on the in-beam thermocouple sensors.
Towards time-dependent current-density-functional theory in the non-linear regime
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.
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.
Towards time-dependent current-density-functional theory in the non-linear regime.
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. PMID:25725723
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.
Time-dependent response of dissipative electron systems
Tremblay, Jean Christophe; Krause, Pascal; Klamroth, Tillmann; Saalfrank, Peter
2010-06-15
We present a systematic study of the influence of energy and phase relaxation on dynamic polarizability simulations in the linear response regime. The nonperturbative approach is based on explicit electron dynamics using short laser pulses of low intensities. To include environmental effects on the property calculation, we use the time-dependent configuration-interaction method in its reduced density matrix formulation. Both energy dissipation and nonlocal pure dephasing are included. The explicit treatment of time-resolved electron dynamics gives access to the phase shift between the electric field and the induced dipole moment, which can be used to define a useful uncertainty measure for the dynamic polarizability. The nonperturbative treatment is compared to perturbation theory expressions, as applied to a simple model system, the rigid H{sub 2} molecule. It is shown that both approaches are equivalent for low field intensities, but the time-dependent treatment provides complementary information on the phase of the induced dipole moment, which allows for the definition of an uncertainty associated with the computation of the dynamic polarizability in the linear response regime.
Granular matter and the time-dependent viscous eikonal equation
NASA Astrophysics Data System (ADS)
Hadeler, K. P.; Schieborn, Dirk
2012-03-01
Deposition of granular matter under gravity can be described by the well-known two-layer model for a standing and a rolling layer. Matter from sources enters the rolling layer which flows along the gradient of the standing layer and finally enters the standing layer via interaction of the two layers. From this system of two coupled hyperbolic partial differential equations a time-dependent viscous eikonal equation is derived as a limiting case for weak sources, a thin rolling layer and fast convection of the rolling layer. This equation, supplied with boundary conditions, describes the deposition of dry sand from evenly distributed sources onto a flat table with a vertical rim of variable height. The stationary problem can also be seen as an application of the method of vanishing viscosity to the eikonal equation. For certain types of interaction between the two layers the resulting eikonal equation can be transformed into a linear equation. This transformation yields additional insight into the problem.
Time-dependent onshore tsunami response
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.
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
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.
Time-dependent, optically thick accretion onto a black hole
NASA Technical Reports Server (NTRS)
Gilden, D. L.; Wheeler, J. C.
1980-01-01
A fully relativistic hydrodynamics code which incorporates diffusive radiation transport is used to study time-dependent, spherically symmetric, optically thick accretion onto a black hole. It is found that matter free-falls into the hole regardless of whether the diffusion time scale is longer or shorter than the dynamical time. Nonadiabatic heating due to magnetic field reconnection is included. The internal energy thus generated affects the flow in a purely relativistic way, again ensuring free-fall collapse of the inflowing matter. Any matter enveloping a black hole will thus be swallowed on a dynamical time scale with relatively small net release of energy. The inclusion of angular momentum will not necessarily affect this conclusion.
External orthogonality in subsystem time-dependent density functional theory.
Chulhai, Dhabih V; Jensen, Lasse
2016-08-01
Subsystem density functional theory (subsystem DFT) is a DFT partitioning method that is exact in principle, but depends on approximations to the kinetic energy density functional (KEDF). One may avoid the use of approximate KEDFs by ensuring that the inter-subsystem molecular orbitals are orthogonal, termed external orthogonality (EO). We present a method that extends a subsystem DFT method, that includes EO, into the time-dependent DFT (TDDFT) regime. This method therefore removes the need for approximations to the kinetic energy potential and kernel, and we show that it can accurately reproduce the supermolecular TDDFT results for weakly and strongly coupled subsystems, and for systems with strongly overlapping densities (where KEDF approximations traditionally fail). PMID:26932176
Spin-orbit torque induced spike-timing dependent plasticity
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.
Spin-orbit torque induced spike-timing dependent plasticity
NASA Astrophysics Data System (ADS)
Sengupta, Abhronil; Al Azim, Zubair; Fong, Xuanyao; Roy, Kaushik
2015-03-01
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.
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.
Time-dependent study of bit reset
NASA Astrophysics Data System (ADS)
Chiuchiú, D.
2015-02-01
In its most conservative formulation, the Landauer principle states that at least k_BT\\ln2 of heat must be produced to reset one bit. Theoretical derivations of this result for practical systems require complex mathematical tools; additionally, real experiments are sophisticated and sensitive. In the literature, it's then common practice to look for a global heat production of k_BT\\ln2 without further concern for heat exchanges at intermediate times. In this paper we want to recover such kind of description: we take a Brownian particle that moves in a bistable potential as bit. We then consider a reset protocol with a net heat production of k_BT\\ln{2} and study the time evolution of internal energy, work and heat. In particular, we show that these quantities are fully characterized by the changes that the protocol induces over the wells of the bistable potential.
Time-Dependent CP Asymmetries in b {yields} s Penguins
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.
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.
Simulation of proton-induced energy deposition in integrated circuits
NASA Technical Reports Server (NTRS)
Fernald, Kenneth W.; Kerns, Sherra E.
1988-01-01
A time-efficient simulation technique was developed for modeling the energy deposition by incident protons in modern integrated circuits. To avoid the excessive computer time required by many proton-effects simulators, a stochastic method was chosen to model the various physical effects responsible for energy deposition by incident protons. Using probability density functions to describe the nuclear reactions responsible for most proton-induced memory upsets, the simulator determines the probability of a proton hit depositing the energy necessary for circuit destabilization. This factor is combined with various circuit parameters to determine the expected error-rate in a given proton environment. An analysis of transient or dose-rate effects is also performed. A comparison to experimental energy-disposition data proves the simulator to be quite accurate for predicting the expected number of events in certain integrated circuits.
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.
NASA Astrophysics Data System (ADS)
Bernasconi, Leonardo; Webster, Ross; Tomić, Stanko; Harrison, Nicholas M.
2012-05-01
We describe a unified formulation of time-dependent Hartree-Fock (TD-HF) and time-dependent density-functional theory (TD-DFT) for the accurate and efficient calculation of the optical response of infinite (periodic) systems. The method is formulated within the linear-response approximation, but it can easily be extended to include higher-order response contributions, and, in TD-DFT, it can treat with comparable computational efficiency purely local, semi-local or fully non-local approximations for the ground-state exchange-correlation (XC) functional and for the response TD-DFT XC kernel in the adiabatic approximation. At variance with existing methods for computing excitation energies based on the diagonalisation of suitable coupling matrices, or on the inversion of a dielectric matrix, our approach exploits an iterative procedure similar to a standard self-consistent field calculation. This results in a particularly efficient treatment of the coupling of excitations at different k points in the Brillouin zone. As a consequence, our method has the potential to describe completely from first principles the optically induced formation of bound particle-hole pairs in wide classes of materials. This point is illustrated by computing the optical gaps of a series of representative bulk semiconductors, (non-spin polarised) oxides and ionic insulators.
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.
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.
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.
Time-dependent corona models - A numerical method
NASA Astrophysics Data System (ADS)
Korevaar, P.; van Leer, B.
1988-07-01
A time-dependent numerical method for calculating gas flows is described. The method is implicit and especially suitable for finding stationary flow solutions. Although the method is general in its application to ideal compressible fluids, this paper applies it to a stellar atmosphere, heated to coronal temperatures by dissipation of mechanical energy. The integration scheme is based on conservative upwind spatial differencing. The upwind switching is provided by Van Leer's method of differentiable flux-splitting. It is shown that the code can handle large differences in density: up to 14 orders of magnitude. Special attention is paid to the boundary conditions, which are made completely transparent to disturbances. Besides some test-results, converged solutions for various values of the initial mechanical flux are presented which are in good agreement with previous time-independent calculations.
Electron energy deposition in carbon monoxide gas
NASA Technical Reports Server (NTRS)
Liu, Weihong; Victor, G. A.
1994-01-01
A comprehensive set of electron impact cross sections for carbon monoxide molecules is presented on the basis of the most recent experimental measurements and theoretical calculations. The processes by which energetic electrons lose energy in CO gas are analyzed with these input cross sections. The efficiencies are computed of vibrational and electronic excitation, dissociation, ionization, and heating for CO gas with fractional ionization ranging from 0% to 10%. The calculated mean energy per ion pair for neutral CO gas is 32.3 eV, which is in excellent agreement with the experimental value of 32.2 eV. It increases to 35.6 eV at a fractional ionization of 1%, typical of supernovae ejecta.
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.
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.
Transonic flow control by means of local energy deposition
NASA Astrophysics Data System (ADS)
Aul'Chenko, S. M.; Zamuraev, V. P.; Kalinina, A. P.
2011-11-01
Experimental data for the feasibility of transonic flow control by means of energy deposition are generalized. Energy supplied to the immediate vicinity of a body in stream before a compression shock is found to result in the nonlinear interaction of introduced disturbances with the shock and the surface in zones extended along the surface. A new, explosive gasdynamic mechanism behind the shift of the compression shock is discovered. It is shown that the nonlinear character of the interaction may considerably decrease the wave resistance of, e.g., transonic airfoils. It is found that energy supply from without stabilizes a transonic flow about an airfoil—the effect similar to the Khristianovich stabilization effect. The dependence of the energy deposition optimal frequency on the energy source parameters and Mach number of the incoming flow at which the resistance drops to the greatest extent is obtained. The influence of the real thermodynamic properties and viscosity of air is studied.
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
Cumulative beam breakup in linear accelerators with time-dependent parameters
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.
Kull; Pfirsch
2000-05-01
The time-dependent Hartree-Fock equations are derived from a variational principle for the general N-body action of a Slater determinant of single-electron orbitals. The variational principle generalizes commonly used variational treatments based on reduced two-body actions. The self-consistent field equations are found to contain time-dependent corrections to the standard mean-field interactions. Their physical significance is discussed and a time-dependent phase shift to the Slater determinant is obtained that properly accounts for the total interaction energy in the mean-field approach. PMID:11031657
Estimating regional auroral electron energy deposition using ground-based optical measurements
NASA Astrophysics Data System (ADS)
Hampton, D. L.; Conde, M.; Ahrns, M. J.; Bristow, W.; Lynch, K. A.; Zettergren, M. D.
2014-12-01
Two key parameters for understanding the coupling between the magnetosphere and the thermosphere/ionosphere in polar regions are the characteristic energy and the total energy flux of precipitating auroral electrons. Ionization due to precipitating electrons modifies the ionospheric electron density profile and thereby the height-dependent conductivity in a complex manner in both time and space. Global or regional thermospheric dynamics models typically rely on empirical models (Ovation) or low-resolution global EUV imagery (POLAR) for electron precipitation input which smear out the mesoscale detail of the location and timing of auroral arcs. We have developed a method for measuring the time-dependent auroral electron energy deposition over a several-hundred km range with 25 km resolution using a combination of two ground-based optical instruments - a scanning-doppler imager observing green-line temperatures and a filtered all-sky imager measuring the N2+ first negative emission at 427.8 nm. We will discuss the details of the method, and show several examples including those from the MICA sounding rocket experiment as well as several events from the AMISR PINOT campaign. We will also show comparisons with alternate optical and radar techniques, compare our estimated energy flux to those from Ovation, and discuss limitations and advantages of the technique when examining mesoscale dynamics in the auroral zone.
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.
Nuclear stopping and energy deposition into the central rapidity region
Zingman, J.A.
1987-08-03
Nuclear stopping and energy deposition into the central rapidity region of ultrarelativistic heavy-ion collisions are studied through the application of a model incorporating hydrodynamic baryon flow coupled to a self-consistent field calculated in the flux tube model. Ultrarelativistic heavy ion collisions are modeled in which the nuclei have passed through each other and as a result are charged and heated.
Solution of the time-dependent Schrödinger equation using time-dependent basis functions.
Varga, Kálmán
2012-01-01
The time-dependent Schrödinger equation is solved by using an explicitly time-dependent basis. This approach allows efficient reflection-free time propagation of the wave function. The applicability of the method is illustrated by solving various time-dependent problems including the calculation of the above threshold ionization of a model atom and the optical absorption spectrum of a sodium dimer. PMID:22400699
Dirac equation with some time-dependent electromagnetic terms
NASA Astrophysics Data System (ADS)
Saeedi, K.; Zarrinkamar, S.; Hassanabadi, H.
2016-07-01
We study the motion of relativistic fermions in a time-dependent electromagnetic field within the framework of Dirac equation. We consider the time-dependent scalar potential of the exponential form and the vector potential of linear form. We obtain the eigenfunctions and eigenvalues.
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.
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.
Time-dependent potential-functional embedding theory
Huang, Chen; Libisch, Florian; 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 Na{sub 4} 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 Na{sub 4} 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.
Synchronization of rigid microrotors by time-dependent hydrodynamic interactions.
Theers, Mario; Winkler, Roland G
2013-08-01
We investigate the emergent dynamical behavior of hydrodynamically coupled microrotors. The two rotors are confined in a plane and move along circles driven by active forces. The three-dimensional fluid is described by the linearized, time-dependent Navier-Stokes equations instead of the usually adopted Stokes equations. We demonstrate that time-dependent hydrodynamic interactions lead to synchronization of the rotational motion. The time dependence of the phase difference between the rotors is determined and synchronization times are extracted for various external torques and rotor separations by solving the underlaying integrodifferential equations numerically. In addition, an analytical expression is provided for the synchronization time. PMID:24032929
Time-dependent-S-matrix Hartree-Fock theory of complex reactions
NASA Astrophysics Data System (ADS)
Griffin, James J.; Lichtner, Peter C.; Dworzecka, Maria
1980-04-01
Some limitations of the conventional time-dependent Hartree-Fock method for describing complex reactions are noted, and one particular ubiquitous defect is discussed in detail: the post-breakup spurious cross channel correlations which arise whenever several asymptotic reaction channels must be simultaneously described by a single determinant. A reformulated time-dependent-S-matrix Hartree-Fock theory is proposed, which obviates this difficulty. Axiomatic requirements minimal to assure that the time-dependent-S-matrix Hartree-Fock theory represents an unambiguous and physically interpretable asymptotic reaction theory are utilized to prescribe conditions upon the definition of acceptable asymptotic channels. That definition, in turn, defines the physical range of the time-dependent-S-matrix Hartree-Fock theory to encompass the collisions of mathematically well-defined "time-dependent Hartree-Fock droplets." The physical properties of these objects then circumscribe the content of the Hartree-Fock single determinantal description. If their periodic vibrations occur for continuous ranges of energy then the resulting "classical" time-dependent Hartree-Fock droplets are seen to be intrinsically dissipative, and the single determinantal description of their collisions reduces to a "trajectory" theory which can describe the masses and relative motions of the fragments but can provide no information about specific asymptotic excited states beyond their constants of motion, or the average properties of the limit, if it exists, of their equilibrization process. If, on the other hand, the periodic vibrations of the time-dependent Hartree-Fock droplets are discrete in energy, then the time-dependent-S-matrix Hartree-Fock theory can describe asymptotically the time-average properties of the whole spectrum of such periodic vibrations of these "quantized" time-dependent Hartree-Fock droplets which are asymptotically stationary on a time-averaged basis. Such quantized time-dependent
Subsystem real-time time dependent density functional theory.
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. PMID:25903875
Time-dependent buoyant puff model for explosive sources
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%.
Time-Dependent, Parallel Neutral Particle Transport Code System.
Energy Science and Technology Software Center (ESTSC)
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 themore » 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
BEAM INDUCED ENERGY DEPOSITION IN MUON STORAGE RINGS.
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.
Beam-induced energy deposition in muon storage rings
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.
Time-dependent rheological behaviour of bacterial cellulose hydrogel.
Gao, Xing; Shi, Zhijun; Kuśmierczyk, Piotr; Liu, Changqing; Yang, Guang; Sevostianov, Igor; Silberschmidt, Vadim V
2016-01-01
This work focuses on time-dependent rheological behaviour of bacterial cellulose (BC) hydrogel. Due to its ideal biocompatibility, BC hydrogel could be employed in biomedical applications. Considering the complexity of loading conditions in human body environment, time-dependent behaviour under relevant conditions should be understood. BC specimens are produced by Gluconacetobacter xylinus ATCC 53582 at static-culture conditions. Time-dependent behaviour of specimens at several stress levels is experimentally determined by uniaxial tensile creep tests. We use fraction-exponential operators to model the rheological behaviour. Such a representation allows combination of good accuracy in analytical description of viscoelastic behaviour of real materials and simplicity in solving boundary value problems. The obtained material parameters allow us to identify time-dependent behaviour of BC hydrogel at high stress level with sufficient accuracy. PMID:26478298
Functional differentiability in time-dependent quantum mechanics
Penz, Markus Ruggenthaler, Michael
2015-03-28
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.
Critical energy deposit in heavy ion complete fusion
Fonte, R.; Insolia, A. Dipartimento di Fisica dell'Universita di Catania corso Italia, 57-95129 Catania, Italy)
1991-07-01
In the framework of an {ital l}-window model for complete fusion reactions within a sharp cutoff approximation, the problem of the maximum excitation energy which can be deposited in a compound nucleus is discussed. Predictions about the spin distribution of the compound nucleus are compared with the conclusions of a recent analysis of the {sup 28}Si+{sup 28}Si fusion reaction.
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.
Time-dependent {P} {T}-symmetric quantum mechanics
NASA Astrophysics Data System (ADS)
Gong, Jiangbin; Wang, Qing-hai
2013-12-01
The parity-time-reversal ( {P} {T})-symmetric quantum mechanics (QM) (PTQM) has developed into a noteworthy area of research. However, to date, most known studies of PTQM focused on the spectral properties of non-Hermitian Hamiltonian operators. In this work, we propose an axiom in PTQM in order to study general time-dependent problems in PTQM, e.g., those with a time-dependent {P} {T}-symmetric Hamiltonian and with a time-dependent metric. We illuminate our proposal by examining a proper mapping from a time-dependent Schrödinger-like equation of motion for PTQM to the familiar time-dependent Schrödinger equation in conventional QM. The rich structure of the proper mapping hints that time-dependent PTQM can be a fruitful extension of conventional QM. Under our proposed framework, we further study in detail the Berry-phase generation in a class of {P} {T}-symmetric two-level systems. It is found that a closed path in the parameter space of PTQM is often associated with an open path in a properly mapped problem in conventional QM. In one interesting case, we further interpret the Berry phase as the flux of a continuously tunable fictitious magnetic monopole, thus highlighting the difference between PTQM and conventional QM despite the existence of a proper mapping between them.
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.
Relativistic Coulomb excitation within the time dependent superfluid local density approximation
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, 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
Time-dependent crack growth behavior of alloy 617 and alloy 230 at elevated temperatures
NASA Astrophysics Data System (ADS)
Roy, Shawoon Kumar
2011-12-01
Two Ni-base solid-solution-strengthened superalloys: INCONEL 617 and HAYNES 230 were studied to check sustained loading crack growth (SLCG) behavior at elevated temperatures appropriate for Next Generation Nuclear Plant (NGNP) applictaions with constant stress intensity factor (Kmax= 27.75 MPa✓m) in air. The results indicate a time-dependent rate controlling process which can be characterized by a linear elastic fracture mechanics (LEFM) parameter -- stress intensity factor (K). At elevated temperatures, the crack growth mechanism was best described using a damage zone concept. Based on results and study, SAGBOE (stress accelerated grain boundary oxidation embrittlement) is considered the primary reason for time-dependent SLCG. A thermodynamic equation was considered to correlate all the SLCG results to determine the thermal activation energy in the process. A phenomenological model based on a time-dependent factor was developed considering the previous researcher's time-dependent fatigue crack propagation (FCP) results and current SLCG results to relate cycle-dependent and time-dependent FCP for both alloys. Further study includes hold time (3+300s) fatigue testing and no hold (1s) fatigue testing with various load ratios (R) at 700°C with a Kmax of 27.75 MPa✓m. Study results suggest an interesting point: crack growth behavior is significantly affected with the change in R value in cycle-dependent process whereas in time-dependent process, change in R does not have any significant effect. Fractography study showed intergranular cracking mode for all time-dependent processes and transgranular cracking mode for cycle-dependent processes. In Alloy 230, SEM images display intergranular cracking with carbide particles, dense oxides and dimple mixed secondary cracks for time-dependent 3+300s FCP and SLCG test. In all cases, Alloy 230 shows better crack growth resistance compared to Alloy 617.
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.
Information theories for time-dependent harmonic oscillator
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.
The computational foundations of time dependent density functional theory
NASA Astrophysics Data System (ADS)
Whitfield, James
2014-03-01
The mathematical foundations of TDDFT are established through the formal existence of a fictitious non-interacting system (known as the Kohn-Sham system), which can reproduce the one-electron reduced probability density of the actual system. We build upon these works and show that on the interior of the domain of existence, the Kohn-Sham system can be efficiently obtained given the time-dependent density. Since a quantum computer can efficiently produce such time-dependent densities, we present a polynomial time quantum algorithm to generate the time-dependent Kohn-Sham potential with controllable error bounds. Further, we find that systems do not immediately become non-representable but rather become ill-representable as one approaches this boundary. A representability parameter is defined in our work which quantifies the distance to the boundary of representability and the computational difficulty of finding the Kohn-Sham system.
Computational complexity of time-dependent density functional theory
NASA Astrophysics Data System (ADS)
Whitfield, J. D.; Yung, M.-H.; Tempel, D. G.; Boixo, S.; Aspuru-Guzik, A.
2014-08-01
Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundations of TDDFT are established through the formal existence of a fictitious non-interacting system (known as the Kohn-Sham system), which can reproduce the one-electron reduced probability density of the actual system. We build upon these works and show that on the interior of the domain of existence, the Kohn-Sham system can be efficiently obtained given the time-dependent density. We introduce a V-representability parameter which diverges at the boundary of the existence domain and serves to quantify the numerical difficulty of constructing the Kohn-Sham potential. For bounded values of V-representability, we present a polynomial time quantum algorithm to generate the time-dependent Kohn-Sham potential with controllable error bounds.
Handling Time-dependent Variables: Antibiotics and Antibiotic Resistance.
Munoz-Price, L Silvia; Frencken, Jos F; Tarima, Sergey; Bonten, Marc
2016-06-15
Elucidating quantitative associations between antibiotic exposure and antibiotic resistance development is important. In the absence of randomized trials, observational studies are the next best alternative to derive such estimates. Yet, as antibiotics are prescribed for varying time periods, antibiotics constitute time-dependent exposures. Cox regression models are suited for determining such associations. After explaining the concepts of hazard, hazard ratio, and proportional hazards, the effects of treating antibiotic exposure as fixed or time-dependent variables are illustrated and discussed. Wider acceptance of these techniques will improve quantification of the effects of antibiotics on antibiotic resistance development and provide better evidence for guideline recommendations. PMID:27025824
Time Dependence of Joint Entropy of Oscillating Quantum Systems
NASA Astrophysics Data System (ADS)
Özcan, Özgür; Aktürk, Ethem; Sever, Ramazan
2008-12-01
The time dependent entropy (or Leipnik’s entropy) of harmonic and damped harmonic oscillator systems is studied by using time dependent wave function obtained by the Feynman path integral method. The Leipnik entropy and its envelope change as a function of time, angular frequency and damping factor. Our results for simple harmonic oscillator are in agreement with the literature. However, the joint entropy of damped harmonic oscillator shows remarkable discontinuity with time for certain values of damping factor. The envelope of the joint entropy curve increases with time monotonically. These results show the general properties of the envelope of the joint entropy curve for quantum systems.
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.
Two-stream instability with time-dependent drift velocity
Qin, Hong; Davidson, Ronald C.
2014-06-15
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. 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.
Two-stream instability with time-dependent drift velocity
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.
Energy Deposition and Radiological Studies for the LBNF Hadron Absorber
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.
Atomic Layer Deposition of Bismuth Vanadates for Solar Energy Materials.
Stefik, Morgan
2016-07-01
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. PMID:27246652
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.
A modular method to handle multiple time-dependent quantities in Monte Carlo simulations.
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. PMID:22572201
Harbola, Upendra; Mukamel, Shaul
2004-11-01
Electrostatic and dispersive interactions of polarizable molecules are expressed in terms of generalized (nonretarded) charge-density response functions of the isolated molecules, which in turn are expanded using the collective electronic oscillator (CEO) eigenmodes of linearized time-dependent density-functional theory. Closed expressions for the intermolecular energy are derived to sixth order in charge fluctuation amplitudes.
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…
Time dependent solution for acceleration of tau-leaping
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.
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.
Time-Dependent Interfacial Properties and DNAPL Mobility
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.
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…
Spike-timing-dependent BDNF secretion and synaptic plasticity.
Lu, Hui; Park, Hyungju; Poo, Mu-Ming
2014-01-01
In acute hippocampal slices, we found that the presence of extracellular brain-derived neurotrophic factor (BDNF) is essential for the induction of spike-timing-dependent long-term potentiation (tLTP). To determine whether BDNF could be secreted from postsynaptic dendrites in a spike-timing-dependent manner, we used a reduced system of dissociated hippocampal neurons in culture. Repetitive pairing of iontophoretically applied glutamate pulses at the dendrite with neuronal spikes could induce persistent alterations of glutamate-induced responses at the same dendritic site in a manner that mimics spike-timing-dependent plasticity (STDP)-the glutamate-induced responses were potentiated and depressed when the glutamate pulses were applied 20 ms before and after neuronal spiking, respectively. By monitoring changes in the green fluorescent protein (GFP) fluorescence at the dendrite of hippocampal neurons expressing GFP-tagged BDNF, we found that pairing of iontophoretic glutamate pulses with neuronal spiking resulted in BDNF secretion from the dendrite at the iontophoretic site only when the glutamate pulses were applied within a time window of approximately 40 ms prior to neuronal spiking, consistent with the timing requirement of synaptic potentiation via STDP. Thus, BDNF is required for tLTP and BDNF secretion could be triggered in a spike-timing-dependent manner from the postsynaptic dendrite. PMID:24298135
Dynamic structure evolution of time-dependent network
NASA Astrophysics Data System (ADS)
Zhang, Beibei; Zhou, Yadong; Xu, Xiaoyan; Wang, Dai; Guan, Xiaohong
2016-08-01
In this paper, we research the long-voided problem of formulating the time-dependent network structure evolution scheme, it focus not only on finding new emerging vertices in evolving communities and new emerging communities over the specified time range but also formulating the complex network structure evolution schematic. Previous approaches basically applied to community detection on time static networks and thus failed to consider the potentially crucial and useful information latently embedded in the dynamic structure evolution process of time-dependent network. To address these problems and to tackle the network non-scalability dilemma, we propose the dynamic hierarchical method for detecting and revealing structure evolution schematic of the time-dependent network. In practice and specificity, we propose an explicit hierarchical network evolution uncovering algorithm framework originated from and widely expanded from time-dependent and dynamic spectral optimization theory. Our method yields preferable results compared with previous approaches on a vast variety of test network data, including both real on-line networks and computer generated complex networks.
Metting, N.F.; Braby, L.A.; Rossi, H.H.; Kliauga, P.J.; Howard, J.; Schimmerling, W.; Wong, M.; Rapkin, M.
1986-08-01
The microscopic spatial distribution of energy deposition in irradiated tissue plays a significant role in the final biological effect produced. Therefore, it is important to have accurate microdosimetric spectra of radiation fields used for radiobiology and radiotherapy. The experiments desribed here were designed to measure the distributions of energy deposition around high energy heavy ion tracks generated at Lawrence Berkeley Laboratory's Bevalac Biomedical Facility. A small proportional counter mounted in a large (0.6 by 2.5 m) vacuum chamber was used to measure energy deposition distributions as a function of the distance between detector and primary ion track. The microdosimetric distributions for a homogeneous radiation field were then calculated by integrating over radial distance. This thesis discusses the rationale of the experimental design and the analysis of measurements on 600 MeV/amu iron tracks. 53 refs., 19 figs.
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.
The time-dependent chemistry of cometary debris in the solar corona
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.
The Time-dependent Chemistry of Cometary Debris in the Solar Corona
NASA Astrophysics Data System (ADS)
Pesnell, W. D.; Bryans, P.
2014-04-01
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.
Fossil fuel energy resources of Ethiopia: Oil shale deposits
NASA Astrophysics Data System (ADS)
Wolela, Ahmed
2006-10-01
The energy crisis affects all countries in the world. Considering the price scenarios, many countries in Africa have begun to explore various energy resources. Ethiopia is one of the countries that depend upon imported petroleum products. To overcome this problem, geological studies suggest a significant occurrence of oil shale deposits in Ethiopia. The Inter-Trappean oil shale-bearing sediments are widely distributed on the South-Western Plateau of Ethiopia in the Delbi-Moye, Lalo-Sapo, Sola, Gojeb-Chida and Yayu Basins. The oil shale-bearing sediments were deposited in fluviatile and lacustrine environments. The oil shales contain mixtures of algal, herbaceous and higher plant taxa. They are dominated by algal-derived liptinite with minor amounts of vitrinite and inertinite. The algal remains belong to Botryococcus and Pediastrum. Laboratory results confirm that the Ethiopian oil shales are dominated by long-chain aliphatic hydrocarbons and have a low sulphur content. Type-II and Type-I kerogen dominated the studied oil shales. Type-II and Type-I are good source rocks for oil and gas generation. Hydrogen index versus Tmax value plots indicated that most of the oil shale samples fall within the immature-early mature stage for hydrocarbon generation, consistent with the Ro values that range from 0.3% to 0.64%. Pyrolysis data of the oil shales sensu stricto indicate excellent source rocks with up to 61.2% TOC values. Calorific value ranges from 400 to 6165 cal/g. Palynological studies confirmed that the oil shale-bearing sediments of Ethiopia range from Eocene to Miocene in age. A total of about 253,000,000 ton of oil shale is registered in the country. Oil shale deposits in Ethiopia can be used for production of oil and gas.
Hot-Jupiter Inflation due to Deep Energy Deposition
NASA Astrophysics Data System (ADS)
Ginzburg, Sivan; Sari, Re'em
2015-04-01
Some extrasolar giant planets in close orbits—“hot Jupiters”—exhibit larger radii than that of a passively cooling planet. The extreme irradiation {{L}eq} these hot Jupiters receive from their close in stars creates a thick isothermal layer in their envelopes, which slows down their convective cooling, allowing them to retain their inflated size for longer. This is still insufficient to explain the observed sizes of the most inflated planets. Some models invoke an additional power source, deposited deep in the planet's envelope. Here, we present an analytical model for the cooling of such irradiated and internally heated gas giants. We show that a power source {{L}dep}, deposited at an optical depth {{τ }dep}, creates an exterior convective region, between optical depths {{L}eq}/{{L}dep} and {{τ }dep}, beyond which a thicker isothermal layer exists, which in extreme cases may extend to the center of the planet. This convective layer, which occurs only for {{L}dep}{{τ }dep}\\gt {{L}eq}, further delays the cooling of the planet. Such a planet is equivalent to a planet irradiated with {{L}eq}{{(1+{{L}dep}{{τ }dep}/{{L}eq})}β }, where β ≈ 0.35 is an effective power-law index describing the radiative energy density as a function of the optical depth for a convective planet U\\propto {{τ }β }. Our simple analytical model reproduces the main trends found in previous numerical works and provides an intuitive understanding. We derive scaling laws for the cooling rate of the planet, its central temperature, and radius. These scaling laws can be used to estimate the effects of tidal or Ohmic dissipation, wind shocks, or any other mechanism involving energy deposition on the sizes of hot Jupiters.
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.
Theoretical study of energy deposition in ionization chambers for tritium measurements
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.
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.
Linear-response dynamics from the time-dependent Gutzwiller approximation
NASA Astrophysics Data System (ADS)
Bünemann, J.; Capone, M.; Lorenzana, J.; Seibold, G.
2013-05-01
Within a Lagrangian formalism, we derive the time-dependent Gutzwiller approximation for general multi-band Hubbard models. Our approach explicitly incorporates the coupling between time-dependent variational parameters and a time-dependent density matrix from which we obtain dynamical correlation functions in the linear-response regime. Our results are illustrated for the one-band model where we show that the interacting system can be mapped to an effective problem of fermionic quasiparticles coupled to ‘doublon’ (double occupancy) bosonic fluctuations. The latter have an energy on the scale of the on-site Hubbard repulsion U in the dilute limit but become soft at the Brinkman-Rice transition, which is shown to be related to an emerging conservation law of doublon charge and the associated gauge invariance. Coupling with the boson mode produces a structure in the charge response and we find that a similar structure appears in dynamical mean-field theory.
Hot-electron energy deposition around unsupported laser targets
Eidmann, K.; Maaswinkel, A.; Sigel, R.; Witkowski, S.; Amiranoff, F.; Fabbro, R.; Hares, J.D.; Kilkenny, J.D.
1983-09-01
Free-falling spheres, released by a simple mechanism, are used as laser targets. Hot-electron energy transport upon one-sided irradiation with 300-ps iodine laser pulses (6 x 10/sup 15/ W cm/sup -2/) is studied by various methods, including x-ray pinhole photography and time-resolved shadowgraphy. Spatial energy deposition is consistent with hot-electron spreading in the presence of self-generated magnetic fields, as suggested by recent experiments and simulations. The insensitivity of the results to the presence of a supporting stalk is attributed to inductive decoupling of the target. Free-falling targets open the possibility of highly symmetric implosion experiments.
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.
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
The Time-Dependent Structure of the Electron Reconnection Layer
NASA Technical Reports Server (NTRS)
Hesse, Michael; Zenitani, Seiji; Kuznetsova, Masha; Klimas, Alex
2009-01-01
Collisionless magnetic reconnection is often associated with time-dependent behavior. Specifically, current layers in the diffusion region can become unstable to tearing-type instabilities on one hand, or to instabilities with current-aligned wave vectors on the other. In the former case, the growth of tearing instabilities typically leads to the production of magnetic islands, which potentially provide feedback on the reconnection process itself, as well as on the rate of reconnection. The second class of instabilities tend to modulate the current layer along the direction of the current flow, for instance generating kink-type perturbations, or smaller-scale turbulence with the potential to broaden the current layer. All of these processes contribute to rendering magnetic reconnection time-dependent. In this presentation, we will provide a summary of these effects, and a discussion of how much they contribute to the overall magnetic reconnection rate.
Chromospheric extents predicted by time-dependent acoustic wave models
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.
Chromospheric extents predicted by time-dependent acoustic wave models
NASA Technical Reports Server (NTRS)
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.
Polymer dynamics in time-dependent periodic potentials
NASA Astrophysics Data System (ADS)
Kauttonen, Janne; Merikoski, Juha; Pulkkinen, Otto
2008-06-01
The dynamics of a discrete polymer in time-dependent external potentials is studied with the master equation approach. We consider both stochastic and deterministic switching mechanisms for the potential states and give the essential equations for computing the stationary-state properties of molecules with internal structure in time-dependent periodic potentials on a lattice. As an example, we consider standard and modified Rubinstein-Duke polymers and calculate their mean drift and effective diffusion coefficient in the two-state nonsymmetric flashing potential and symmetric traveling potential. Rich nonlinear behavior of these observables is found. By varying the polymer length, we find current inversions caused by the rebound effect that is only present for molecules with internal structure. These results depend strongly on the polymer type. We also notice increased transport coherence for longer polymers.
A semianalytical satellite theory for weak time-dependent perturbations
NASA Technical Reports Server (NTRS)
Cefola, P.; Mcclain, W.; Early, L.; Green, A.
1980-01-01
The modifications of the semianalytical satellite theory required to include these 'weak' time dependent perturbations are described. The new formulation results in additional terms in the short periodic variations but does not change the averaged equations of motion. Thus the m monthly terms are still included in the averaged equations of motion. This contrasts with the usual approach for the strongly time dependent perturbations in which the m monthly (or m daily, if tesseral harmonics are being considered) terms would be eliminated from the averaged equations of motion and included in the short periodics computation. Numerical test results for the GPS case obtained with a numerical averaging implementation of the new theory demonstrate the accuracy improvement.
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.
A time dependent theory of crazing behavior in polymers
NASA Technical Reports Server (NTRS)
Chern, S. S.; Hsiao, C. C.
1982-01-01
The development of crazing is not only a function of stress, but also a function of time. Under a simple state of tension, a craze opening displacement is closely associated with the viscoelastic behavior of the original bulk polymer medium in which individual crazes initiate and develop. Within each craze region, molecular orientation takes place when conditions permit, and a new phase of rearranged molecules governs its local behavior. Based upon a time-dependent viscoelastic two-dimensional model, using a computer program the craze opening displacement field has been calculated, time-dependent craze length was also computed by taking into consideration the molecular orientation mechanism and large deformations in the craze region. Examples are given for simple viscoelastic media with simplified stress distributions. It is interesting to find out that the occurrence of crazing may be interpreted in terms of the stability or instability of the constitutive behavior of the bulk polymer.
Time-dependent buoyant puff model for explosive sources
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.
Time-Dependent Coupled Harmonic Oscillators: Classical and Quantum Solutions
NASA Astrophysics Data System (ADS)
Macedo, Diego Ximenes; Guedes, Ilde
2015-10-01
In this work we present the classical and quantum solutions for an arbitrary system of time-dependent coupled harmonic oscillators, where the masses (m), frequencies (ω) and coupling parameter (k) are functions of time. To obtain the classical solutions we use a coordinate and momentum transformations along with a canonical transformation to write the original Hamiltonian as the sum of two Hamiltonians of uncoupled harmonic oscillators with modified time-dependent frequencies and unitary masses. To obtain the exact quantum solutions we use a unitary transformation and the Lewis and Riesenfeld invariant method. The exact wave functions are obtained by solving the respective Milne-Pinney equation for each system. We obtain the solutions for the system with m1 = m2 = m0eγt, ω1 = ω01e-γt/2, ω2 = ω02e-γt/2 and k = k0.
Time-dependent coupled harmonic oscillators: Classical and quantum solutions
NASA Astrophysics Data System (ADS)
Macedo, D. X.; Guedes, I.
2014-08-01
In this work we present the classical and quantum solutions for an arbitrary system of time-dependent coupled harmonic oscillators, where the masses (m), frequencies (ω) and coupling parameter (k) are functions of time. To obtain the classical solutions, we use a coordinate and momentum transformations along with a canonical transformation to write the original Hamiltonian as the sum of two Hamiltonians of uncoupled harmonic oscillators with modified time-dependent frequencies and unitary masses. To obtain the exact quantum solutions we use a unitary transformation and the Lewis and Riesenfeld (LR) invariant method. The exact wave functions are obtained by solving the respective Milne-Pinney (MP) equation for each system. We obtain the solutions for the system with m1 = m2 = m0eγt, ω1 = ω01e-γt/2, ω2 = ω02e-γt/2 and k = k0.
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.
Quick Time-dependent Ionization Calculations Depending on MHD Simulations
NASA Astrophysics Data System (ADS)
Shen, Chengcai; Raymond, John C.; Murphy, Nicholas Arnold
2014-06-01
Time-dependent ionization is important in astrophysical environments where the thermodynamic time scale is shorter than ionization time scale. In this work, we report a FORTRAN program that performs fast non-equilibrium ionization calculations based on parallel computing. Using MHD simulation results, we trace the movements of plasma in a Lagrangian framework, and obtain evolutionary history of temperature and electron density. Then the time-dependent ionization equations are solved using the eigenvalue method. For any complex temperature and density histories, we introduce a advanced time-step strategy to improve the computational efficiency. Our tests show that this program has advantages of high numerical stability and high accuracy. In addition, it is also easy to integrate this solver with the other MHD routines.
Linear-response calculation in the time-dependent density functional theory
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.
Time-dependent first-principles approaches to PV materials
Miyamoto, Yoshiyuki
2013-12-10
Computational scheme for designing photovoltaic (PV) materials is presented. First-principles electron dynamics of photo-excitation and subsequent electron-hole splitting is performed based on the time-dependent density functional theory. Photo-induced enhancement of dipole moment was observed in a polar crystal and a donor-acceptor molecular pair. These experiences will pave a way to design PV material from first-principles simulations.
Shoulder pain and time dependent structure in wheelchair propulsion variability.
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. PMID:27134151
Time-dependent global modeling of the inner heliosphere
NASA Astrophysics Data System (ADS)
Merkin, V. G.; Lyon, J.; Arge, C. N.; Lario, D.; Linker, J.; Lionello, R.
2015-12-01
We present results of time-dependent modeling of the inner heliosphere using the Lyon-Fedder-Mobarry (LFM) magnetohydrodynamic (MHD). Two types of simulations are performed: one concentrates on the background solar wind specification, while the other deals with the propagation of coronal mass ejections (CMEs). For simulations of the first type we coupled the LFM-helio code with the ADAPT-driven WSA model. We present some details of the coupling machinery and then simulate selected periods characterized by very low solar activity with no significant energetic particle events or CMEs. The results of the model are compared with MESSENGER, ACE, STEREO A and B spacecraft to probe both radial and temporal evolution of solar wind structure. The results indicate, in particular, the importance of time-dependent modeling for more accurate prediction of high-speed streams and heliospheric current sheet structure when the spacecraft skim its surface. We will comment on the formation of magnetic field reversals in pseudostreamer regions, which is an intrinsically time-dependent phenomenon, and on the current sheet corrugation caused by solar wind momentum shears. For the second type of time-dependent inner heliosphere simulations we have coupled LFM-helio with the MAS MHD model of the corona. We first present results of idealized coupled MAS/LFM-helio simulations with symmetric solar wind background and no rotation intended to test the interface for seamless propagation of transients from the corona into the inner heliosphere domain. We then simulate an event with a CME propagating through a realistic heliosphere background including corotating interaction regions. We show details of propagation of flux-rope CMEs through the boundary between MAS and LFM-helio and compare the results between the two codes in the heliospheric domain. The results indicate that the coupling works well, although some differences in the solutions are observed probably due to differences in numerical
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.
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.
Time-dependent induced potentials in convoy electron emission
NASA Astrophysics Data System (ADS)
Acuña, G. P.; Miraglia, J. E.
2006-11-01
We study the time-dependent induced potentials at the convoy electron position due to the self-interaction with a metal surface and to the shock wave created by the positive hole (vacancy) left. The time evolution of these potentials are calculated using the linear response theory. Results obtained are fitted with simple functions. We find that those two potentials nearly cancel each other in the first ten atomic units of time.
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.
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.
Time-dependent Brittle Deformation in Darley Dale Sandstone
NASA Astrophysics Data System (ADS)
Baud, P.; Heap, M. J.; Meredith, P. G.; Bell, A. F.; Main, I. G.
2008-12-01
The characterization of time-dependent brittle rock deformation is fundamental to understanding the long- term evolution and dynamics of the Earth's upper crust. The chemical influence of water promotes time- dependent deformation through stress corrosion cracking that allows rocks to deform at stresses far below their short-term failure strength. Here we report results from a study of time-dependent brittle creep in water- saturated samples of Darley Dale sandstone (initial porosity of 13%). Conventional creep experiments (or 'static fatigue' tests) show that time to failure decreases dramatically with the imposed deviatoric stress. They also suggest the existence of a critical level of damage beyond which localized failure develops. Sample variability results however in significant scattering in the experimental data and numerous tests are needed to clearly define a relation between the strain rate and the applied stress. We show here that stress-stepping experiments provide a means to overcome this problem and that it is possible this way to obtain the strain rate dependence on applied stress with a single test. This allows to study in details the impact of various thermodynamical conditions on brittle creep. The influence of effective stress was investigated in stress-stepping experiments with effective confining pressures of 10, 30 and 50 MPa (whilst maintaining a constant pore fluid pressure of 20 MPa). In addition to the expected purely mechanical influence of an elevated effective stress our results also demonstrate that stress corrosion appears to be inhibited at higher effective stresses. The influence of doubling the pore fluid pressure however, whilst maintaining a constant effective stress, is shown to have no effect on the rate of stress corrosion. We then discuss the results in light of acoustic emission hypocentre location data and optical microscope analysis and use our experimental data to validate proposed macroscopic creep laws. Finally, using
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.
Time-dependent MOS breakdown. [of Na contaminated capacitors
NASA Technical Reports Server (NTRS)
Li, S. P.; Bates, E. T.; Maserjian, J.
1976-01-01
A general model for time-dependent breakdown in metal-oxide-silicon (MOS) structures is developed and related to experimental measurements on samples deliberately contaminated with Na. A statistical method is used for measuring the breakdown probability as a function of log time and applied field. It is shown that three time regions of breakdown can be explained respectively in terms of silicon surface defects, ion emission from the metal interface, and lateral ion diffusion at the silicon interface.
Quasinormal modes in a time-dependent black hole background
NASA Astrophysics Data System (ADS)
Shao, Cheng-Gang; Wang, Bin; Abdalla, Elcio; Su, Ru-Keng
2005-02-01
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-Nordström black hole turn out to be a reasonable prescription, showing that results from quasinormal mode analysis are rather robust.
Quasinormal modes in a time-dependent black hole background
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.
On the solution of time-dependent problems
NASA Astrophysics Data System (ADS)
Abdou, M. A.
2005-10-01
The time-dependent radiative transfer problems involving non-equilibrium coupling to the material temperature to differential equation and ballistic-diffusive equation have been solved by means of two different techniques, namely, flux-limited approach and maximum entropy method. The behaviour of the radiative intensity is shown graphically. Knowing the radiative intensity allows us to calculate directly some physical parameters such as the reflection function and heat flux that are numerically computed.
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…
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
Modeling Atmospheric Energy Deposition (by energetic ions): New Results
NASA Astrophysics Data System (ADS)
Parkinson, C.; Brain, D. A.; Lillis, R. J.; Liemohn, M. W.; Bougher, S. W.
2012-12-01
deposition is conducted including a comparison of the influence relative to other energy sources (namely EUV photons) and previous efforts using the guiding center approximation.
The multi-configurational time-dependent Hartree approach revisited
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.
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.
Time-dependent dynamic behavior of light diffraction in ferrofluid
NASA Astrophysics Data System (ADS)
Chung, Min-Feng; Chou, S. E.; Fu, Chao-Ming
2012-04-01
The time-dependent dynamic behavior of diffraction patterns induced by external magnetic field in a suspension of nano-sized magnetic particles (Fe3O4) in a water-based magnetic fluid was investigated. It was observed that the diffraction pattern changed with time as the magnetic field was applied. In the absence of applied magnetic field, there was no diffraction pattern in the screen. When the magnetic field was applied, the transmitted light was perpendicular to the magnetic field, and the diffraction pattern was unstable. There were many small lines and points moving with time. After one minute, the diffraction pattern turned stable, and the small lines became longer. This time-dependent behavior helps us to understand the evolution of the forming chains of magnetic nanoparticles. Moreover, we have measured the other diffraction pattern, the transmitted light propagating parallel to the applied field. These time-dependent diffraction patterns give a new point to understand the dynamic three-dimensional structure of magnetic fluid under a dc magnetic field.