Development of a classical force field for the oxidized Si surface: application to hydrophilic wafer bonding.

We have developed a classical two- and three-body interaction potential to simulate the hydroxylated, natively oxidized Si surface in contact with water solutions, based on the combination and extension of the Stillinger-Weber potential and of a potential originally developed to simulate SiO(2) polymorphs. The potential parameters are chosen to reproduce the structure, charge distribution, tensile surface stress, and interactions with single water molecules of a natively oxidized Si surface model previously obtained by means of accurate density functional theory simulations. We have applied the potential to the case of hydrophilic silicon wafer bonding at room temperature, revealing maximum room temperature work of adhesion values for natively oxidized and amorphous silica surfaces of 97 and 90 mJm(2), respectively, at a water adsorption coverage of approximately 1 ML. The difference arises from the stronger interaction of the natively oxidized surface with liquid water, resulting in a higher heat of immersion (203 vs 166 mJm(2)), and may be explained in terms of the more pronounced water structuring close to the surface in alternating layers of larger and smaller densities with respect to the liquid bulk. The computed force-displacement bonding curves may be a useful input for cohesive zone models where both the topographic details of the surfaces and the dependence of the attractive force on the initial surface separation and wetting can be taken into account.

A constitutive description of the inelastic response of ceramics

The objective of the article is to present a unified model for the dynamic mechanical response of ceramics under compressive stress states. The model incorporates three principal deformation mechanisms: (i) lattice plasticity due to dislocation glide or twinning; (ii) microcrack extension; and (iii) granular flow of densely packed comminuted particles. In addition to analytical descriptions of each mechanism, prescriptions are provided for their implementation into a finite element code as well as schemes for mechanism transitions. The utility of the code in addressing issues pertaining to deep penetration is demonstrated through a series of calculations of dynamic cavity expansion in an infinite medium. The results reveal two limiting behavioral regimes, dictated largely by the ratio of the cavity pressure p to the material yield strength σY. At low values of p/σY, cavity expansion occurs by lattice plasticity and hence its rate diminishes with increasing σY. In contrast, at high values, expansion occurs by microcracking followed by granular plasticity and is therefore independent of σY. In the intermediate regime, the cavity expansion rate is governed by the interplay between microcracking and lattice plasticity. That is, when lattice plasticity is activated ahead of the expanding cavity, the stress triaxiality decreases (toward more negative values) which, in turn, reduces the propensity for microcracking and the rate of granular flow. The implications for penetration resistance to high-velocity projectiles are discussed. Finally, the constitutive model is used to simulate the quasi-static and dynamic indentation response of a typical engineering ceramic (alumina) and the results compared to experimental measurements. Some of the pertinent observations are shown to be captured by the present model whereas others require alternative approaches (such as those based on fracture mechanics) for complete characterization. © 2011 The American Ceramic Society.

Theoretical investigation of CoSi2/Si1-xGex detectors: Influence of a Si tunneling barrier on the electro-optical characteristics

We present a theoretical investigation of the influence of a non-reacted Si layer on the transport and optical properties of CoSi2/Si1-xGex Schottky barrier diodes grown from Co/Si/Si1-xGex systems. The presence of this layer reduces the effect of the lowering of the Schottky barrier height which would be expected in a CoSi2/Si1-xGex. However, due to the small thickness of this Si layer, the charge carriers are able to tunnel through it. This tunneling process allows for a significant lowering of the Schottky barrier height and therefore an extension of the detection regime into the infrared. © 1996 American Institute of Physics.

An extension of slow feature analysis for nonlinear blind source separation

We present and test an extension of slow feature analysis as a novel approach to nonlinear blind source separation. The algorithm relies on temporal correlations and iteratively reconstructs a set of statistically independent sources from arbitrary nonlinear instantaneous mixtures. Simulations show that it is able to invert a complicated nonlinear mixture of two audio signals with a high reliability. The algorithm is based on a mathematical analysis of slow feature analysis for the case of input data that are generated from statistically independent sources. © 2014 Henning Sprekeler, Tiziano Zito and Laurenz Wiskott.