A spectral scheme for Kohn-Sham density functional theory of clusters

Starting from the observation that one of the most successful methods for solving the Kohn-Sham equations for periodic systems -- the plane-wave method -- is a spectral method based on eigenfunction expansion, we formulate a spectral method designed towards solving the Kohn-Sham equations for clusters. This allows for efficient calculation of the electronic structure of clusters (and molecules) with high accuracy and systematic convergence properties without the need for any artificial periodicity. The basis functions in this method form a complete orthonormal set and are expressible in terms of spherical harmonics and spherical Bessel functions. Computation of the occupied eigenstates of the discretized Kohn-Sham Hamiltonian is carried out using a combination of preconditioned block eigensolvers and Chebyshev polynomial filter accelerated subspace iterations. Several algorithmic and computational aspects of the method, including computation of the electrostatics terms and parallelization are discussed. We have implemented these methods and algorithms into an efficient and reliable package called ClusterES (Cluster Electronic Structure). A variety of benchmark calculations employing local and non-local pseudopotentials are carried out using our package and the results are compared to the literature. Convergence properties of the basis set are discussed through numerical examples. Computations involving large systems that contain thousands of electrons are demonstrated to highlight the efficacy of our methodology. The use of our method to study clusters with arbitrary point group symmetries is briefly discussed.Comment: Manuscript submitted (with revisions) to Journal of Computational Physic

The dynamic phenomena of a tethered satellite: NASA's first Tethered Satellite Mission, TSS-1

The tethered satellite system (TSS) was envisioned as a means of extending a satellite from its base (space shuttle, space station, space platform) into a lower or higher altitude in order to more efficiently acquire data and perform science experiments. This is accomplished by attaching the satellite to a tether, deploying it, then reeling it in. When its mission is completed, the satellite can be returned to its base for reuse. If the tether contains a conductor, it can also be used as a means to generate and flow current to and from the satellite to the base. When current is flowed, the tether interacts with the Earth's magnetic field, deflecting the tether. When the current flows in one direction, the system becomes a propulsive system that can be used to boost the orbiting system. In the other direction, it is a power generating system. Pulsing the current sets up a dynamic oscillation in the tether, which can upset the satellite attitude and preclude docking. A basic problem occurs around 400-m tether length, during satellite retrieval when the satellite's pendulous (rotational) mode gets in resonance with the first lateral tether string mode. The problem's magnitude is determined by the amount of skiprope present coming into this resonance condition. This paper deals with the tethered satellite, its dynamic phenomena, and how the resulting problems were solved for the first tethered satellite mission (TSS-1). Proposals for improvements for future tethered satellite missions are included. Results from the first tethered satellite flight are summarized

Extending Quantum Coherence in Diamond

We experimentally demonstrate over two orders of magnitude increase in the coherence time of nitrogen vacancy centres in diamond by implementing decoupling techniques. We show that equal pulse spacing decoupling performs just as well as non-periodic Uhrig decoupling and has the additional benefit that it allows us to take advantage of "revivals" in the echo (due to the coherent nature of the bath) to explore the longest coherence times. At short times, we can extend the coherence of particular quantum states out from T_2*=2.7 us out to an effective T_2 > 340 us. For preserving arbitrary states we show the experimental importance of using pulse sequences, that through judicious choice of the phase of the pulses, compensate the imperfections of individual pulses for all input states. At longer times we use these compensated sequences to enhance the echo revivals and show a coherence time of over 1.6 ms in ultra-pure natural abundance 13C diamond.Comment: 7 pages, 7 figures; minor syntax/typo. changes and updated reference

Fundamental concepts of structural loading and load relief techniques for the space shuttle

The prediction of flight loads and their potential reduction, using various control system logics for the space shuttle vehicles, is discussed. Some factors not found on previous launch vehicles that increase the complexity are large lifting surfaces, unsymmetrical structure, unsymmetrical aerodynamics, trajectory control system coupling, and large aeroelastic effects. These load-producing factors and load-reducing techniques are analyzed

Helium atom diffraction measurements of the surface structure and vibrational dynamics of CH_3-Si(111) and CD_3-Si(111) surfaces

The surface structure and vibrational dynamics of CH_3–Si(111) and CD_3–Si(111) surfaces were measured using helium atom scattering. The elastic diffraction patterns exhibited a lattice constant of 3.82 Å, in accordance with the spacing of the silicon underlayer. The excellent quality of the observed diffraction patterns, along with minimal diffuse background, indicated a high degree of long-range ordering and a low defect density for this interface. The vibrational dynamics were investigated by measurement of the Debye–Waller attenuation of the elastic diffraction peaks as the surface temperature was increased. The angular dependence of the specular (θ_i=θ_f) decay revealed perpendicular mean-square displacements of 1.0 x 10^(−5) Å^2 K^(−1) for the CH_3–Si(111) surface and 1.2 x 10^(−5) Å^2 K^(−1) for the CD_3–Si(111) surface, and a He-surface attractive well depth of ~7 meV. The effective surface Debye temperatures were calculated to be 983 K for the CH_3–Si(111) surface and 824 K for the CD_3–Si(111) surface. These relatively large Debye temperatures suggest that collisional energy accommodation at the surface occurs primarily through the Si–C local molecular modes. The parallel mean-square displacements were 7.1 x 10^(−4) and 7.2 x 10^(−4) Å^2 K^(−1) for the CH_3–Si(111) and CD_3–Si(111) surfaces, respectively. The observed increase in thermal motion is consistent with the interaction between the helium atoms and Si–CH_3 bending modes. These experiments have thus yielded detailed information on the dynamical properties of these robust and technologically interesting semiconductor interfaces

Antiferromagnetic Spinor Condensates are Quantum Rotors

We establish a theoretical correspondence between spin-one antiferromagnetic spinor condensates in an external magnetic field and quantum rotor models in an external potential. We show that the rotor model provides a conceptually clear picture of the possible phases and dynamical regimes of the antiferromagnetic condensate. We also show that this mapping simplifies calculations of the condensate's spectrum and wavefunctions. We use the rotor mapping to describe the different dynamical regimes recently observed in $^{23}$Na condensates. We also suggest a way to experimentally observe quantum mechanical effects (collapse and revival) in spinor condensates.Comment: minor revisions. some typos correcte

NASA Space Geodesy Program: GSFC data analysis, 1992. Crustal Dynamics Project VLBI geodetic results, 1979 - 1991

The Goddard VLBI group reports the results of analyzing 1648 Mark 3 data sets acquired from fixed and mobile observing sites through the end of 1991, and available to the Crustal Dynamics Project. Two large solutions were used to obtain Earth rotation parameters, nutation offsets, radio source positions, site positions, site velocities, and baseline evolution. Site positions are tabulated on a yearly basis for 1979 to 1995, inclusive. Site velocities are presented in both geocentric Cartesian and topocentric coordinates. Baseline evolution is plotted for 200 baselines, and individual length determinations are presented for an additional 356 baselines. This report includes 155 quasar radio sources, 96 fixed stations and mobile sites, and 556 baselines

Quantum bounds for gravitational de Sitter entropy and the Cardy-Verlinde formula

We analyze different types of quantum corrections to the Cardy-Verlinde entropy formula in a Friedmann-Robertson-Walker universe and in an (anti)-de Sitter space. In all cases we show that quantum corrections can be represented by an effective cosmological constant which is then used to redefine the parameters entering the Cardy-Verlinde formula so that it becomes valid also with quantum corrections, a fact that we interpret as a further indication of its universality. A proposed relation between Cardy-Verlinde formula and the ADM Hamiltonian constraint is given.Comment: LaTeX file, 15 pages, reference is adde

Structural control interaction

The basic guidance and control concepts that lead to structural control interaction and structural dynamic loads are identified. Space vehicle ascent flight load sources and the load relieving mechanism are discussed, along with the the characteristics and special problems of both present and future space vehicles including launch vehicles, orbiting vehicles, and the Space Shuttle flyback vehicle. The special dynamics and control analyses and test problems apparent at this time are summarized

Nearly horizon skimming orbits of Kerr black holes

An unusual set of orbits about extreme Kerr black holes resides at the Boyer-Lindquist radius $r = M$, the coordinate of the hole's event horizon. These ``horizon skimming'' orbits have the property that their angular momentum $L_z$ {\it increases} with inclination angle, opposite to the familiar behavior one encounters at larger radius. In this paper, I show that this behavior is characteristic of a larger family of orbits, the ``nearly horizon skimming'' (NHS) orbits. NHS orbits exist in the very strong field of any black hole with spin a\agt 0.952412M. Their unusual behavior is due to the locking of particle motion near the event horizon to the hole's spin, and is therefore a signature of the Kerr metric's extreme strong field. An observational hallmark of NHS orbits is that a small body spiraling into a Kerr black hole due to gravitational-wave emission will be driven into orbits of progressively smaller inclination angle, toward the equator. This is in contrast to the ``normal'' behavior. For circular orbits, the change in inclination is very small, and unlikely to be of observational importance. I argue that the change in inclination may be considerably larger when one considers the evolution of inclined eccentric orbits. If this proves correct, then the gravitational waves produced by evolution through the NHS regime may constitute a very interesting and important probe of the strong-field nature of rotating black holes.Comment: 9 pages, 5 figures, accepted for publication in PR