Three-dimensional incompressible Navier-Stokes computations of internal flows

Several incompressible Navier-Stokes solution methods for obtaining steady and unsteady solutions are discussed. Special attention is given to internal flows which involve distinctly different features from external flows. The characterisitcs of the flow solvers employing the method of pseudocompressibility and a fractional step method are briefly described. This discussion is limited to a primitive variable formulation in generalized curvilinear coordinates. Computed results include simple test cases and internal flow in the Space Shuttle main engine hot-gas manifold

Potential applications of computational fluid dynamics to biofluid analysis

Computational fluid dynamics was developed to the stage where it has become an indispensable part of aerospace research and design. In view of advances made in aerospace applications, the computational approach can be used for biofluid mechanics research. Several flow simulation methods developed for aerospace problems are briefly discussed for potential applications to biofluids, especially to blood flow analysis

INS3D: An incompressible Navier-Stokes code in generalized three-dimensional coordinates

The operation of the INS3D code, which computes steady-state solutions to the incompressible Navier-Stokes equations, is described. The flow solver utilizes a pseudocompressibility approach combined with an approximate factorization scheme. This manual describes key operating features to orient new users. This includes the organization of the code, description of the input parameters, description of each subroutine, and sample problems. Details for more extended operations, including possible code modifications, are given in the appendix

New limits for neutrinoless tau decays

Neutrinoless 3-prong tau lepton decays into a charged lepton and either two charged particles or one neutral meson have been searched for using 4.79fb^(-1) of data collected with the CLEO II detector at Cornell Electron Storage Ring. This analysis represents an update of a previous study and the addition of six decay channels. In all channels the numbers of events found are compatible with background estimates and branching fraction upper limits are set for 28 different decay modes. These limits are either more stringent than those set previously or represent the first attempt to find these decays

Electronic Cash In E-Commerce: Comparative Analysis Of Views Of Hispanic And African-American Business Owners

Based on a survey of 1000 Hispanic and 1000 African-American business owners on the impacts e-commerce and e-cash are expected to have upon business practices, there were significant discrepancies between perceptions of these two groups regarding their ability to track and retain customers and to authenticate the source of e-cash payments.  In addition, while both groups of owners agreed that e-cash will likely replace traditional currency used in commercial transactions between consumers and business, they both are uncertain as to what degree central banks of countries should regulate and how much freedom the private sector should have for developing new forms of e-cash.  Hispanic business owners generally are more receptive to e-commerce viewing it as not making marketing strategies more difficult while African-American owners generally perceive enhanced issues to be resolved

Monte Carlo Simulation of Sinusoidally Modulated Superlattice Growth

The fabrication of ZnSe/ZnTe superlattices grown by the process of rotating the substrate in the presence of an inhomogeneous flux distribution instead of successively closing and opening of source shutters is studied via Monte Carlo simulations. It is found that the concentration of each compound is sinusoidally modulated along the growth direction, caused by the uneven arrival of Se and Te atoms at a given point of the sample, and by the variation of the Te/Se ratio at that point due to the rotation of the substrate. In this way we obtain a ZnSe$_{1-x}$Te$_x$ alloy in which the composition $x$ varies sinusoidally along the growth direction. The period of the modulation is directly controlled by the rate of the substrate rotation. The amplitude of the compositional modulation is monotonous for small angular velocities of the substrate rotation, but is itself modulated for large angular velocities. The average amplitude of the modulation pattern decreases as the angular velocity of substrate rotation increases and the measurement position approaches the center of rotation. The simulation results are in good agreement with previously published experimental measurements on superlattices fabricated in this manner

Atomic scale evolution of the surface chemistry in Li[Ni,Mn,Co]O2 cathode for Li-ion batteries stored in air

Layered LiMO2 (M = Ni, Co, Mn, and Al mixture) cathode materials used for Li-ion batteries are reputed to be highly reactive through their surface, where the chemistry changes rapidly when exposed to ambient air. However, conventional electron/spectroscopy-based techniques or thermogravimetric analysis fails to capture the underlying atom-scale chemistry of vulnerable Li species. To study the evolution of the surface composition at the atomic scale, here we use atom probe tomography and probed the surface species formed during exposure of a LiNi0.8Mn0.1Co0.1O2 (NMC811) cathode material to air. The compositional analysis evidences the formation of Li2CO3. Site specific examination from a cracked region of an NMC811 particle also suggests the predominant presence of Li2CO3. These insights will help to design improved protocols for cathode synthesis and cell assembly, as well as critical knowledge for cathode degradatio

Escape from adamantane: Scaffold optimization of novel P2X7 antagonists featuring complex polycycles

The adamantane scaffold, despite being widely used in medicinal chemistry, is not devoid of problems. In the recent years we have developed new polycyclic scaffolds as surrogates of the adamantane group with encouraging results in multiple targets. As an adamantane scaffold is a common structural feature in several P2X7 receptor antagonists, herein we report the synthesis and pharmacological evaluation of multiple replacement options of adamantane that maintain a good activity profile. Molecular modeling studies support the binding of the compounds to a site close to the central pore, rather than to the ATP-binding site and shed light on the structural requirements for novel P2X7 antagonists

Vapor-liquid critical and interfacial properties of square-well fluids in slit pores

Vapor-liquid phase equilibria of square-well (SW) fluids of variable interaction range: ??=1.25, 1.75, 2.0, and 3.0 in hard slit pores are studied by means of grand-canonical transition-matrix Monte Carlo (GC-TMMC) simulation. Critical density under confinement shows an oscillatory behavior as slit width, H, reduced from 12 to 1. Two linear regimes are found for the shift in the critical temperature with the inverse in the slit width. The first regime is seen for H>2.0 with linear increase in the slope of shift in the critical temperature against inverse slit width with increasing interaction range. Subsequent decrease in H has little consequence on the critical temperature and it remains almost constant. Vapor-liquid surface tensions of SW fluids of variable well extent in a planar slit pore of variable slit width are also reported. GC-TMMC results are compared with that from slab based canonical Monte Carlo and molecular dynamics techniques and found to be in good agreement. Although, vapor-liquid surface tension under confinement is found to be lower than the bulk surface tension, the behavior of surface tension as a function of temperature is invariant with the variable pore size. Interfacial width, , calculated using a hyperbolic function increases with decreasing slit width at a given temperature, which is contrary to what is being observed recently for cylindrical pores. Inverse scaled interfacial width (/H), however, linearly increases with increase in the scaled temperature (Tc,bulk -T) / Tc,bulk.open121

Thermodynamic theory of epitaxial ferroelectric thin films with dense domain structures

A Landau-Ginsburg-Devonshire-type nonlinear phenomenological theory is presented, which enables the thermodynamic description of dense laminar polydomain states in epitaxial ferroelectric thin films. The theory explicitly takes into account the mechanical substrate effect on the polarizations and lattice strains in dissimilar elastic domains (twins). Numerical calculations are performed for PbTiO3 and BaTiO3 films grown on (001)-oriented cubic substrates. The "misfit strain-temperature" phase diagrams are developed for these films, showing stability ranges of various possible polydomain and single-domain states. Three types of polarization instabilities are revealed for polydomain epitaxial ferroelectric films, which may lead to the formation of new polydomain states forbidden in bulk crystals. The total dielectric and piezoelectric small-signal responses of polydomain films are calculated, resulting from both the volume and domain-wall contributions. For BaTiO3 films, strong dielectric anomalies are predicted at room temperature near special values of the misfit strain.Comment: 19 pages, 8 figure