An embedded atom method study of the equilibrium shapes of small platinum and palladium clusters

The embedded atom method (EAM) was used to determine the equilibrium shapes of small platinum and palladium clusters (N=5–60 atoms). The stability of various polyhedral symmetries was performed at 0K. A search for the presence of any other lower energy structures was also carried out. Pt clusters reconstructed to lower energy clusters even at the magic numbers. Pd also reconstructed to lower energy structures except at the magic number sizes where the icosahedron was found to be the most stable.     

Turbulence modelling of the shear layers in the trailing edge region of a modern rear-loaded airfoil at incidence

After carefull analysis in a turbulent zero-pressure gradient flow, various simple algebraic turbulence models were applied to the almost separated flow on the upperside of an airfoil at incidence. The Johnson-King and Horton non-equilibrium (or rate equation) models give clearly improved results.     

Modeling the pressure dependence of DC bias voltage in asymmetric,capacitive RF sheaths

A semianalytical model for capacitively coupled radio frequency (RF) sheaths of asymmetric (unequal electrode area) systems has been developed. It can be applied in the high-frequency (ω > ω _pi) regime at different pressures. An analytical approximation to the pressure-dependent ion density profile is used. The time-varying electric field and potential within the sheath are obtained by solving Poisson's equation. The current balance and zero net DC current conditions are applied to solve for the RF sheath parameters and DC bias voltage. The DC voltage ratio between the powered and grounded electrode sheaths increases as the pressure decreases, which results in a larger DC bias voltage at lower pressures     

Liquid crystal properties of some substituted pyrazines

A number of biphenyl, terphenyl analogues and ethynes which contain a pyrazine ring have been made and their liquid crystal transition temperatures, together with examples of birefringence measurements, are reported. All the 2,5-disubstituted pyrazine systems are liquid crystalline showing high birefringence values for the biphenyl and terphenyl analogues, whereas the 1,5-disubstituted systems are not liquid crystalline. The pyrazine ethyne systems exhibit very high birefringence values. X-ray diffraction has been used to identify the liquid crystal phases of 2-n-nonyloxy-5-(4'-propylbiphenyl-4-yl)pyrazine.     

Gravity in non-commutative geometry

We study general relativity in the framework of non-commutative differential geometry. As a prerequisite we develop the basic notions of non-commutative Riemannian geometry, including analogues of Riemannian metric, curvature and scalar curvature. This enables us to introduce a generalized Einstein-Hilbert action for non-commutative Riemannian spaces. As an example we study a space-time which is the product of a four dimensional manifold by a two-point space, using the tools of non-commutative Riemannian geometry, and derive its generalized Einstein-Hilbert action. In the simplest situation, where the Riemannian metric is taken to be the same on the two copies of the manifold, one obtains a model of a scalar field coupled to Einstein gravity. This field is geometrically interpreted as describing the distance between the two points in the internal space.Dedicated to H. ArakiSupported in part by the Swiss National Foundation (SNF)     

Precipitation and characterization of uniform submicrometer lead titanate particles. Part II: Reaction mechanism

The chemical mechanism of the precipitation of lead titanium peroxohydroxide particles in a solution of nitrilotriacetate (NTA) complexes of lead and titanium peroxo-hydroxide is envisioned as the interaction between cations of lead hydroxide and anions of polymeric titanium peroxo-hydroxide.     

1H and13C nuclear magnetic relaxation and local dynamics of lysozyme and synthetic polypeptides

The combined analysis of¹H and¹³C NMR relaxation data in solid lysozyme and some typical homopolypeptides was carried out by using “model-free” approach. Three types of relaxation transitions (γ’, γ and β) were revealed in the temperature range investigated. The microdynamical parameters of these motions were determined. From the comparison of these parameters with those of selected synthetic polymers it follows that the molecular motions in proteins and synthetic polymers are of the same nature. All these motions show pronounced anisotropic character. In the investigated temperature range no molecular motions corresponding to α-relaxation (liquid-like) transition were revealed. The hydration effects on parameters of the motions in proteins were considered. The most pronounced effect takes place for β-transition. The effect of Brownian rotation of protein molecule in solution on measured correlation function of local motions was also discussed.