A viscous/potential flow interaction analysis method for multi-element infinite swept wings, volume 1

An analysis method and computer program have been developed for the calculation of the viscosity dependent aerodynamic characteristics of multi-element infinite swept wings in incompressible flow. The wing configuration consisting at the most of a slat, a main element and double slotted flap is represented in the method by a large number of panels. The inviscid pressure distribution about a given configuration in the normal chord direction is determined using a two dimensional potential flow program employing a vortex lattice technique. The boundary layer development over each individual element of the high lift configuration is determined using either integral or finite difference boundary layer techniques. A source distribution is then determined as a function of the calculated boundary layer displacement thickness and pressure distributions. This source distribution is included in the second calculation of the potential flow about the configuration. Once the solution has converged (usually after 2-5 iterations between the potential flow and boundary layer calculations) lift, drag, and pitching moments can be determined as functions of Reynolds number

Mesomechanical numerical modeling of the stress-strain localization and fracture in an aluminum alloy with a composite coating

A numerical analysis of plastic strain localization and fracture in an aluminum alloy with a composite aluminum (Al) – titanium carbide (TiC) coating providing oxidation protection is presented. Boundary-value problems in plane strain and three-dimensional formulations are solved numerically by the finite-difference and finite-element methods, respectively. The AlTiC interface geometry corresponds to the configuration found experimentally and is accounted for explicitly in calculations. An algorithm to build a 3D finite-element model of TiC particles is developed. To simulate the mechanical response of the aluminum substrate and composite coating, use was made of an elastic-plastic model with isotropic strain hardening and a fracture model taking into account crack initiation and growth in the regions experiencing tensile stresses. Local regions of bulk tension are shown to arise near the interfaces even under simple uniaxial compression of the coated material, which controls the mechanisms of plastic strain and fracture localization at the mesoscale level. The role of technological residual stresses is revealed

Improvements to the APBS biomolecular solvation software suite

The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that has provided impact in the study of a broad range of chemical, biological, and biomedical applications. APBS addresses three key technology challenges for understanding solvation and electrostatics in biomedical applications: accurate and efficient models for biomolecular solvation and electrostatics, robust and scalable software for applying those theories to biomolecular systems, and mechanisms for sharing and analyzing biomolecular electrostatics data in the scientific community. To address new research applications and advancing computational capabilities, we have continually updated APBS and its suite of accompanying software since its release in 2001. In this manuscript, we discuss the models and capabilities that have recently been implemented within the APBS software package including: a Poisson-Boltzmann analytical and a semi-analytical solver, an optimized boundary element solver, a geometry-based geometric flow solvation model, a graph theory based algorithm for determining p$K_a$ values, and an improved web-based visualization tool for viewing electrostatics

Theoretical analysis of magnetic coupling in sandwich clusters V_n(C_6H_6)_{n+1}

The mechanism of ferromagnetism stability in sandwich clusters V$_n$(C$_6$H$_6$)$_{n+1}$ has been studied by first-principles calculation and model analysis. It is found that each of the three types of bonds between V and benzene (Bz) plays different roles. V 3d$_{z^2}$ orbital, extending along the molecular axis, is weakly hybridized with Bz's HOMO-1 orbital to form the $\sigma$-bond. It is quite localized and singly occupied, which contributes 1$\mu_B$ to the magnetic moment but little to the magnetic coupling of neighboring V magnetic moments. The in-plane d$_{x^2-y^2}$, d$_{xy}$ orbitals are hybridized with the LUMO of Bz and constitute the $\delta$-bond. This hybridization is medium and crucial to the magnetic coupling though the $\delta$ states have no net contribution to the total magnetic moment. d$_{xz}$, d$_{yz}$ and HOMO of Bz form a quite strong $\pi$-bond to hold the molecular structure but they are inactive in magnetism because their energy levels are far away from the Fermi level. Based on the results of first-principles calculation, we point out that the ferromagnetism stability is closely related with the mechanism proposed by Kanamori and Terakura [J. Kanamori and K. Terakura, J. Phys. Soc. Jpn. 70, 1433 (2001)]. However, the presence of edge Bz's in the cluster introduces an important modification. A simple model is constructed to explain the essence of the physical picture.Comment: 16 pages, 7 figure

The creeping motion of a spherical particle normal to a deformable interface

Numerical results are presented for the approach of a rigid sphere normal to a deformable fluid-fluid interface in the velocity range for which inertial effects may be neglected. Both the case of a sphere moving with constant velocity, and that of a sphere moving under the action of a constant non-hydrodynamic body force are considered for several values of the viscosity ratio, density difference and interfacial tension between the two fluids. Two distinct modes of interface deformation are demonstrated: a film drainage mode in which fluid drains away in front of the sphere leaving an ever-thinning film, and a tailing mode where the sphere passes several radii beyond the plane of the initially undeformed interface, while remaining encapsulated by the original surrounding fluid which is connected with its main body by a thin thread-like tail behind the sphere. We consider the influence of the viscosity ratio, density difference, interfacial tension and starting position of the sphere in deter-mining which of these two modes of deformation will occur

The Sigma 13 (10-14) twin in alpha-Al2O3: A model for a general grain boundary

The atomistic structure and energetics of the Sigma 13 (10-14)[1-210] symmetrical tilt grain boundary in alpha-Al2O3 are studied by first-principles calculations based on the local-density-functional theory with a mixed-basis pseudopotential method. Three configurations, stable with respect to intergranular cleavage, are identified: one Al-terminated glide-mirror twin boundary, and two O-terminated twin boundaries, with glide-mirror and two-fold screw-rotation symmetries, respectively. Their relative energetics as a function of axial grain separation are described, and the local electronic structure and bonding are analysed. The Al-terminated variant is predicted to be the most stable one, confirming previous empirical calculations, but in contrast with high-resolution transmission electron microscopy observations on high-purity diffusion-bonded bicrystals, which resulted in an O-terminated structure. An explanation of this discrepancy is proposed, based on the different relative energetics of the internal interfaces with respect to the free surfaces

Intake ground vortex characteristics

The development of ground vortices when an intake operates in close proximity to the ground has been studied computationally for several configurations including front and rear quarter approaching flows as well as tailwind arrangements. The investigations have been conducted at model scale using a generic intake geometry. Reynolds Averaged Navier–Stokes calculations have been used and an initial validation of the computational model has been carried out against experimental data. The computational method has subsequently been applied to configurations that are difficult to test experimentally by including tailwind and rear quarter flows. The results, along with those from a previous compatible study of headwind and pure cross-wind configurations, have been used to assess the ground vortex behaviour under a broad range of velocity ratios and approaching wind angles. The characteristics provide insights on the influence of the size and strength of ground vortices on the overall quality of the flow ingested by the intake