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At least 343 records · Page 19

Time-dependent clustering analysis of the second BATSE gamma-ray burst catalog

A time-dependent two-point correlation-function analysis of the Burst and Transient Source Experiment (BATSE) 2B catalog finds no evidence of burst repetition. As part of this analysis, we discuss the effects of sky exposure on the observability of burst repetition and present the equation describing the signature of burst repetition in the data. For a model of all burst repetition from a source occurring in less than five days we derive upper limits on the number of bursts in the catalog from repeaters and model-dependent upper limits on the fraction of burst sources that produce multiple outbursts.

Brainerd, J. J.↗

The time dependent growth of H2O-H2SO4 aerosols by heteromolecular condensation

A theory for the time-dependent growth of solution droplets by heteromolecular condensation is presented. The theory is applied to the growth of H2O-H2SO4 aerosols for relative humidities less than 100 per cent. Growth curves (droplet radius as a function of time) for different values of relative humidity are evaluated.

Hamill, P.↗

Development of an efficient computer code to solve the time-dependent Navier-Stokes equations

A research effort was conducted with the goal of reducing computer time of a Navier Stokes Computer Code for prediction of viscous flow fields about lifting bodies. A two-dimensional, time-dependent, laminar, transonic computer code (STOKES) was modified to incorporate a non-uniform timestep procedure. The non-uniform time-step requires updating of a zone only as often as required by its own stability criteria or that of its immediate neighbors. In the uniform timestep scheme each zone is updated as often as required by the least stable zone of the finite difference mesh. Because of less frequent update of program variables it was expected that the nonuniform timestep would result in a reduction of execution time by a factor of five to ten. Available funding was exhausted prior to successful demonstration of the benefits to be derived from the non-uniform time-step method.

Harp, J. L., Jr.↗

Hybrid algorithm for the time-dependent Hartree–Fock method using the Yang–Baxter equation on quantum computers *

Abstract The time-dependent Hartree–Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single Slater determinants. One of the major advantages of performing time dynamics within Hartree–Fock theory is the free fermionic nature of the problem, which makes TDHF classically simulatable in polynomial time. Here, we present a hybrid TDHF implementation for quantum computers. This quantum circuit grows with time; but with our recent work on circuit compression via the Yang–Baxter equation (YBE), the resulting circuit is constant depth. This study provides a new way to simulate TDHF with the aid of a quantum device as well as provides a new direction for the application of YBE symmetry in quantum chemistry simulations.

97 MATHEMATICS AND COMPUTING↗

Time-dependent water vapor desorption isotherm model of hardened cement paste

Highlights: • Short-term and long-term desorption isotherms of hardened cement paste are reviewed. • Water content at RH depends on both thermodynamic and microstructural equilibria. • An extended GAB equation is proposed to fit the cavitation drop during desorption. • A dynamic time-dependent sorption isotherm model is shown and used for simulations. • Numerical results capture anomalous drying in the same RH as seen experimentally. This study aims to enhance moisture transport modeling by elucidating the so-called anomalous water diffusion in cementitious materials. Water desorption isotherms are measured from samples at various drying stages using techniques with different durations to quantify the impact of the drying duration on the water sorption ability. A single water sorption isotherm does not solely give a relationship between the water content and relative humidity but also represents the state of microstructure. The continuous evolution of a desorption isotherm due to drying-induced microstructural rearrangement is demonstrated. For numerical modeling, the microstructural alteration can be explicitly considered through a dynamic desorption isotherm model, which governs the local thermodynamic equilibrium at the capillary meniscus. This approach is implemented into a multiphase transport code, whose ability to predict drying is validated using literature data. Finally, the effect of prolonged drying on the colloidal nature of the calcium-silicate-hydrate gel is discussed.

36 MATERIALS SCIENCE↗

Time-Dependent Photoionization of Gaseous Nebulae: The Pure Hydrogen Case

We study the problem of time-dependent photoionization of low density gaseous nebulae subjected to sudden changes in the intensity of ionizing radiation. To this end, we write a computer code that solves the full timedependent energy balance, ionization balance, and radiation transfer equations in a self-consistent fashion for a simplified pure hydrogen case. It is shown that changes in the ionizing radiation yield ionizationthermal fronts that propagate through the cloud, but the propagation times and response times to such fronts vary widely and nonlinearly from the illuminated face of the cloud to the ionization front (IF). IFthermal fronts are often supersonic, and in slabs initially in pressure equilibrium such fronts yield large pressure imbalances that are likely to produce important dynamical effects in the cloud. Further, we studied the case of periodic variations in the ionizing flux. It is found that the physical conditions of the plasma have complex behaviors that differ from any steady-state solution. Moreover, even the time average of ionization and temperature is different from any steady-state case. This time average is characterized by overionization and a broader IF with respect to the steady-state solution for a mean value of the radiation flux. Around the time average of physical conditions there is a large dispersion in instantaneous conditions, particularly across the IF, which increases with the period of radiation flux variations. Moreover, the variations in physical conditions are asynchronous along the slab due to the combination of nonlinear propagation times for thermal frontsIFs and equilibration times.

Seyfert↗

Electron dynamics in extended systems within real-time time-dependent density-functional theory

Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density-functional theory has emerged as a promising first-principles framework to describe electron real-time dynamics. Here we discuss recent implementations around this approach, in particular in the context of complex, extended systems. Results include an analysis of the computational cost associated with numerical propagation and when using absorbing boundary conditions. Here we extensively explore the shortcomings for describing electron–electron scattering in real time and compare to many-body perturbation theory. Modern improvements of the description of exchange and correlation are reviewed. In this work, we specifically focus on the Qb@ll code, which we have mainly used for these types of simulations over the last years, and we conclude by pointing to further progress needed going forward.

2D materials↗

Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches

The desorption of a carbon monoxide molecule from a Ru(0001) surface was studied by means of X-ray Absorption Spectra (XAS) computed with Transition Potential (TP-DFT) and Time Dependent (TD-DFT) DFT methods. By unraveling the evolution of the CO electronic structure upon desorption, we observed that at 2.3 Å from the surface, the CO molecule has already predominantly gas-phase character. While C 1s XAS is quite insensitive to changes in the C–O bond length, the O 1s excitation is very sensitive with the π* coming down in energy upon CO bond stretching, which competes with the increase in orbital energy due to the repulsive interaction with the metallic surface. We show in a systematic way that the TP-DFT method can describe the XAS rather well at the endpoints (chemisorbed and gas phase) but is affected by artificial charge transfer and/or incorrect spin treatment in the transition region in cases like CO, where there are low-lying π* orbitals and large exchange interactions between the core 1s and valence-acceptor π* orbitals. As an alternative, we demonstrate by comparing with experimental data that a linear response approach using TD-DFT employing common exchange-correlation functionals and finite-size clusters can yield a good description of the spectral evolution of the 1s → π* transition with correct spin and gas-to-chemisorbed chemical shifts in good agreement with experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A simulation model of time-dependent plasma-spacecraft interactions

A plasma simulation code is presented that models the time-dependent plasma properties in the vicinity of a spherical, charged spacecraft. After showing agreement with analytic, steady-state theories and ATS-6 satellite data, the following three problems are treated: (1) transient pulses from photoemission at various emission temperatures and ambient plasma conditions, (2) spacecharge limited emission, and (3) simulated plasma oscillations in the long wavelength limit.

Rothwell, P. L.↗

Time-dependent radiation transport in a one-dimensional medium

An analytic solution of the time-dependent radiation transport problem in a one-dimensional, stationary and homogeneous medium of finite thickness is presented. The solution is found by the method of images, and is compared with an eigenfunction expansion. Previous conjectures about the structure of such an expansion are clarified. The Green's function of this problem is also expanded in scattering orders.

Nagel, W.↗

Optimal moving grids for time-dependent partial differential equations

Various adaptive moving grid techniques for the numerical solution of time-dependent partial differential equations were proposed. The precise criterion for grid motion varies, but most techniques will attempt to give grids on which the solution of the partial differential equation can be well represented. Moving grids are investigated on which the solutions of the linear heat conduction and viscous Burgers' equation in one space dimension are optimally approximated. Precisely, the results of numerical calculations of optimal moving grids for piecewise linear finite element approximation of partial differential equation solutions in the least squares norm.

Wathen, A. J.↗

Optimal moving grids for time-dependent partial differential equations

Various adaptive moving grid techniques for the numerical solution of time-dependent partial differential equations were proposed. The precise criterion for grid motion varies, but most techniques will attempt to give grids on which the solution of the partial differential equation can be well represented. Moving grids are investigated on which the solutions of the linear heat conduction and viscous Burgers' equation in one space dimension are optimally approximated. Precisely, the results of numerical calculations of optimal moving grids for piecewise linear finite element approximation of PDE solutions in the least-squares norm are reported.

Wathen, A. J.↗

Time-dependent MHD modeling of the global structure of the heliosphere

We present results from time-dependent modeling of the global structure of the heliosphere with neutral and magnetic field effects included. The magnetic field is assumed parallel to the interstellar flow in this two-dimensional axisymmetric model; the neutrals are treated as a fluid. The effects of interstellar neutrals and the interplanetary magnetic field on the location of the termination shock are studied using the most recent estimate of the interstellar medium parameters, results will be compared to those of Baranov and Zaitsev. The effect of the solar wind - VLISM interaction on the density and velocity of interstellar neutrals within the heliosphere will also be presented and related to observations. The response of the termination shock to the solar cycle variation in the solar wind will be compared to the response found previously using an axisymmetric hydrodynamic model without neutrals.

Liewer, P. C.↗

Time-dependent probability density function analysis of H-mode transitions

Abstract The first application of time-dependent probability density function (PDF) analysis to the L-H transition in fusion plasmas is presented. PDFs are constructed using Doppler Backscattering data of perpendicular fluctuation velocity, , and turbulence from the edge region of the DIII-D tokamak. These raw time-series data are sliced into millisecond-long sliding time-windows to create PDFs. During the transition, the PDFs develop strong right tails, indicative of turbulence-suppressing localised flows in the plasma edge; such features and other subtle behaviours are explored using novel information geometry techniques. This letter examines the applicability of these techniques to predict L-H transitions and investigate predator-prey self-regulation theories between turbulence and perpendicular velocity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multi-spacecraft testing of time-dependent interplanetary MHD models for operational forecasting of geomagnetic storms

An MHD 2-1/2D, time-dependent model is used, together with observations of six solar flares during February 3-7, 1986, to demonstrate global, large-scale, compound disturbances in the solar wind over a wide range of heliolongitudes. This scenario is one that is likely to occur many times during the cruise, possibly even encounter, phases of the Multi-Comet Mission. It is suggested that a model such as this one should be tested with multi-spacecraft data (such as the MCM and earth-based probes) with several goals in view: (1) utility of the model for operational real-time forecasting of geomagnetic storms, and (2) scientific interpretation of certain forms of cometary activities and their possible association with solar-generated activity.

Dryer, M.↗

Parametric Study of a YAV-8B Harrier in Ground Effect using Time-Dependent Navier-Stokes Computations

A process is described which enables the generation of 35 time-dependent viscous solutions for a YAV-8B Harrier in ground effect in one week. Overset grids are used to model the complex geometry of the Harrier aircraft and the interaction of its jets with the ground plane and low-speed ambient flow. The time required to complete this parametric study is drastically reduced through the use of process automation, modern computational platforms, and parallel computing. Moreover, a dual-time-stepping algorithm is described which improves solution robustness. Unsteady flow visualization and a frequency domain analysis are also used to identify and correlated key flow structures with the time variation of lift.

Pandya, Shishir↗