26,407 research outputs found
A combined R-matrix eigenstate basis set and finite-differences propagation method for the time-dependent Schr\"{od}dinger equation: the one-electron case
In this work we present the theoretical framework for the solution of the
time-dependent Schr\"{o}dinger equation (TDSE) of atomic and molecular systems
under strong electromagnetic fields with the configuration space of the
electron's coordinates separated over two regions, that is regions and
. In region the solution of the TDSE is obtained by an R-matrix basis
set representation of the time-dependent wavefunction. In region a grid
representation of the wavefunction is considered and propagation in space and
time is obtained through the finite-differences method. It appears this is the
first time a combination of basis set and grid methods has been put forward for
tackling multi-region time-dependent problems. In both regions, a high-order
explicit scheme is employed for the time propagation. While, in a purely
hydrogenic system no approximation is involved due to this separation, in
multi-electron systems the validity and the usefulness of the present method
relies on the basic assumption of R-matrix theory, namely that beyond a certain
distance (encompassing region ) a single ejected electron is distinguishable
from the other electrons of the multi-electron system and evolves there (region
II) effectively as a one-electron system. The method is developed in detail for
single active electron systems and applied to the exemplar case of the hydrogen
atom in an intense laser field.Comment: 13 pages, 6 figures, submitte
Evaluation of a double Gimbal IPACS design
The suitability of various integrated power/attitude control systems (IPACS) rotor materials was analyzed. Three materials were investigated: (1) 6A1-4V-Titanium (the current IPACS rotor material); (2) B120 VCA Titanium; and (3) Custom 455 stainless steel. The preliminary linear vibration analysis was updated to include the weights and stiffnesses of the gimbals design. A belleville washer spring preload mechanism was designed to replace the existing helical spring and interference fit preload mechanism
A Gimbal sizing analysis for an IPACS rotating assembly
All major components of an integrated power/attitude control system (IPACS) assembly were analyzed for testing, launch, and operational stresses. The conceptual design for the outer gimbal and mounting ring structures were developed and analyzed along with preliminary designs of the pivot and torquer assemblies. Results from the system response analysis and the thermal analysis are also presented. Gimballing of this rotating assembly should present few difficulties as the maximum gimballing rate is quite low. However, the inner gimbal assembly in its current configuration must be modified to develop the system from a laboratory concept to a realistic flight hardware status
Suicide substrate reaction-diffusion equations: varying the source
The suicide substrate reaction is a model for certain enzyme-inhibiting drugs. This reaction system is examined assuming that the substrate diffuses freely while the enzyme remains fixed. Two sets of initial and boundary conditions are examined: one modelling an instantaneous point source, akin to an injection of substrate, the other, a continuous point source, akin to a continuing influx, or intravenous drip, of substrate. The quasi-steady-state assumption is applied to obtain analytical solutions for a limited parameter space. Finally, further applications of numerical and analytical experimentation on pharmaceutical mechanisms are described
On the kinetics of suicide substrates
We consider a realistic suicide substrate reaction which can be represented by four rate equations for the concentrations of the various molecules as functions of time. We present a general procedure to obtain accurate, approximate solutions analytically in terms of the rate equation parameters. This systematic technique provides more accurate approximations to the exact (numerical) solutions than other approximate methods which have been proposed based on a pseudo-steady state hypothesis
High Voltage CMOS Control Interface for Astronomy - Grade Charged Coupled Devices
The Pan-STARRS telescope consists of an array of smaller mirrors viewed by a
Gigapixel arrays of CCDs. These focal planes employ Orthogonal Transfer CCDs
(OTCCDs) to allow on-chip image stabilization. Each OTCCD has advanced logic
features that are controlled externally. A CMOS Interface Device for High
Voltage has been developed to provide the appropiate voltage signal levels from
a readout and control system designated STARGRASP. OTCCD chip output levels
range from -3.3V to 16.7V, with two different output drive strenghts required
depending on load capacitance (50pF and 1000pF), with 24mA of drive and a rise
time on the order of 100ns. Additional testing ADC structures have been
included in this chip to evaluate future functional additions for a next
version of the chip.Comment: 13 pages, 17 gigure
Static Feed Water Electrolysis Subsystem Testing and Component Development
A program was carried out to develop and test advanced electrochemical cells/modules and critical electromechanical components for a static feed (alkaline electrolyte) water electrolysis oxygen generation subsystem. The accomplishments were refurbishment of a previously developed subsystem and successful demonstration for a total of 2980 hours of normal operation; achievement of sustained one-person level oxygen generation performance with state-of-the-art cell voltages averaging 1.61 V at 191 ASF for an operating temperature of 128F (equivalent to 1.51V when normalized to 180F); endurance testing and demonstration of reliable performance of the three-fluid pressure controller for 8650 hours; design and development of a fluid control assembly for this subsystem and demonstration of its performance; development and demonstration at the single cell and module levels of a unitized core composite cell that provides expanded differential pressure tolerance capability; fabrication and evaluation of a feed water electrolyte elimination five-cell module; and successful demonstration of an electrolysis module pressurization technique that can be used in place of nitrogen gas during the standby mode of operation to maintain system pressure and differential pressures
Microwave Transport in Metallic Single-Walled Carbon Nanotubes
The dynamical conductance of electrically contacted single-walled carbon
nanotubes is measured from dc to 10 GHz as a function of source-drain voltage
in both the low-field and high-field limits. The ac conductance of the nanotube
itself is found to be equal to the dc conductance over the frequency range
studied for tubes in both the ballistic and diffusive limit. This clearly
demonstrates that nanotubes can carry high-frequency currents at least as well
as dc currents over a wide range of operating conditions. Although a detailed
theoretical explanation is still lacking, we present a phenomenological model
of the ac impedance of a carbon nanotube in the presence of scattering that is
consistent with these results.Comment: Added reference
Accuracy of density functionals for molecular electronics: the Anderson junction
The exact ground-state exchange-correlation functional of Kohn-Sham density
functional theory yields the exact transmission through an Anderson junction at
zero bias and temperature. The exact impurity charge susceptibility is used to
construct the exact exchange-correlation potential. We analyze the successes
and limitations of various types of approximations, including smooth and
discontinuous functionals of the occupation, as well as symmetry-broken
approaches.Comment: 6 pages, 5 figures, submitted to Phys. Rev.
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