Structure and formation energy of steps on the GaAs(001)-2 × 4 surface

The energies of various steps on the As-terminated GaAs(001)-2 × 4 surface are evaluated using a novel, approximate method of “linear combination of structural motifs”. It is based on the observation that previous total energy minimizations of semiconductor surfaces produced invariably equilibrium structures made of the same recurring local structural motifs, e.g. tetrahedral fourfold Ga, pyramidal threefold As, etc. Furthermore, such surface structures were found to obey consistently the octet rules as applied to the local motifs. We thus express the total energy of a given semiconductor surface as a sum of (i) the energies _M of the local structural motifs appearing in the surface under consideration and (ii) an electrostatic term representing the Madelung energy of point charges resulting from application of the octet rule. The motif energies are derived from a set of pseudopotential total energy calculations for flat GaAs(001) surfaces and for point defects in bulk GaAs. This set of parameters suffices to reproduce the energies of other (001) surfaces, calculated using the same pseudopotential total energy approach. Application to GaAs(001)-2 × 4 surfaces with steps reveals the following. (i) “Primitive steps”, defined solely according to their geometries (i.e. step heights, widths and orientations) are often unstable. (ii) Additional, non-geometric factors beyond step geometries such as addition of surface adatoms, creation of vacancies and atomic rebonding at step edges are important to lower step energies. So is step-step interaction. (iii) The formation of steps is generally endothermic. (iv) The formation of steps with edges parallel to the direction of surface As dimers (A steps) is energetically favored over the formation of steps whose edges are perpendicular to the As dimers (B steps).     

Ge growth mode modification on carbon-induced Si(001)-c(4×4) surfaces

Strong Ge morphological modifications were observed upon an ordered C-pre-covered Si(001)-c(4×4) reconstructed surface used as a template as compared to the growth on bare Si(001)-(2×1) substrates. While on bare substrates, the Ge wetting layer of the Stranski–Krastanov mode has a critical thickness of approximately 3–4 monolayers (ML), with the c-(4×4) template, island nucleation already occurs after 1 Ge ML, and growth proceeds in a Volmer–Weber mode. This suggests that the C-rich surface derm associated with the c-(4×4) reconstruction is able to strongly affect the Ge wetting.     

Spatio-temporal symmetries in SN- and SN × 2-equivariant systems

This paper investigates the spatio-temporal symmetries of periodic trajectories in dynamical systems with S_N and S_N × ₂ symmetry. It turns out that trajectories in S_N-equivariant systems cannot exhibit spatio-temporal symmetries beyond the trivial symmetry of all periodic orbits. More complex symmetries in the trajectories require additional constraints on the dynamics. The possibilities offered by S_N × ₂ symmetric systems are considered and a specific S₃ × ₂-equivariant system is investigated numerically.     

Boundary condition treatment in 2×2 systems of propagation equations

Numerical modelling of the water hammer phenomenon involves solving a 2×2 system of propagation equations numerically. In the present paper, this system is solved using the Piecewise Parabolic Method (PPM) Scheme, a higher-order extension of the Godunov Method. To reach high-order discretization accuracy, the PPM scheme uses six points in space to solve the advection equation. Hence, treatment of boundary conditions—which proves to be of importance to water hammer modelling—is not straightforward. Several options for the handling of boundary conditions are presented herein, and only one combination among nine is shown to provide good results. This shows that even very accurate numerical schemes may be of poor help in problem solving if boundary conditions are not handled properly. Results given by the PPM scheme are compared with those given by other solution techniques (Method Of Characteristics—MOC), proving the superior accuracy–efficiency relations used by the PPM over the usual approximations of the MOC. © 1998 John Wiley & Sons, Ltd.     

Tension and fatigue behavior of 316LVM 1 × 7 multi-strand cables used as implantable electrodes

The mechanical behavior of 316LVM 1 × 7 cables were evaluated in uniaxial tension and in cyclic strain-controlled fatigue with the use of a Flex tester operated to provide fully reversed bending fatigue. The magnitude of cyclic strains imparted to each cable tested was controlled via the use of different diameter mandrels. Smaller diameter mandrels produced higher values of cyclic strain and lower fatigue life. Multiple samples were tested and analyzed via scanning electron microscopy. The fatigue results were analyzed via a Coffin–Manson–Basquin approach and compared to fatigue data obtained from the literature where testing was conducted on similar materials, but under rotating bending fatigue conditions.     

MBE Si regrowth on carbon-induced Si(001)-c(4×4) reconstructions studied by RHEED

Si(001)-c(4×4) surfaces are obtained by exposing Si(001)-2×1 surfaces at 600°C to ethylene doses that determine C coverages in the submonolayer range. This reconstruction reveals a carbon enrichment of the topmost silicon layers. As the c(4×4) reflection high energy electron diffraction pattern can be maintained in spite of rather thick Si regrowth layers, we can conclude that this C derm is able to float at the surface during the Si capping. This segregation process is strongly dependent on the growth mode. As identified by RHEED intensity oscillations, a Si step flow growth is necessary to allow carbon to float in the first four silicon top-layers. An interplay is found between the kinetic growth conditions leading to this C-segregation and those of a self-organization process of C-rich clusters that we have observed in the course of Si_1−yC_y alloy growth obtained by codeposition of silicon and carbon.     

A Generalized Goal Programming Approach to the Minimal Interference, Multicriteria N × 1 Scheduling Problem

The conventional approach to the modeling and solution of most scheduling problems involves the development of a mathematical model which (1) employs discrete variables (e.g., linear integer programs), and (2) includes only a single objective to be maximized or minimized (e.g., minimization of makespan). Unfortunately, models involving discrete variables are inherently combinatorially explosive (i.e., methods such as branch-and-bound will exhibit computation times which grow exponentially with problem size). Further, scheduling problems encountered in the real world invariably involve multiple conflicting objectives, and thus using a single-objective representation can lead to gross oversimplification. In this paper we address a specific class of scheduling problem encountered in several real-world applications that may be efficiently addressed as a linear multiobjective model having only continuous variables. The model and its solution are compared with those of a highly acclaimed recent approach, and they appear to provide significant improvements.     

First principles total energy studies of the adsorption of germane on Ge(001)-c(2 × 4)

We perform first principles total energy calculations to study the energetics, and the atomic structure of the adsorption of germane (GeH₄) molecules on the Ge(001)-c(2 × 4) surface. The adsorption of a GeH₄ unit occurs after its dissociation into a germanium trihydride (GeH₃) and a hydrogen atom and a subsequent decomposition into a germanium dihydride (GeH₂) subunit and H atoms. Consequently, we first consider the adsorption of GeH₂ in two different configurations; the on-dimer and the intra-row geometries. Similar to the adsorption of SiH₂ and GeH₂ on Si(001), it is found that the on-dimer site is more stable than the intra-row geometry by 0.13 eV. However, in the adsorption of a GeH₂ fragment together with two H atoms we find that the intra-row geometry is energetically more favorable, again, similar to the adsorption of SiH₂ and GeH₂ (plus two H atoms) on the Si(001) surface.