Advanced Materials for Engineering Applications – Page 79

Ab Initio Simulation on Deposit Process of Al on Si Surface

Kitamura T., Umeno Y., Kyoto University, JP

It is important to clarify structure of contact between different materials for evaluation of properties of interfaces, which are substantial in electronic devices. Since interaction between different materials has to be evaluated based on the [...]

Surface Shaping by Ion Beams at Grazing Incidence: Simulations vs. Experiment

Dew S.K., Stepanova M., University of Alberta, CA

Miniaturization of electronic technologies highlights special approaches such as selforganization of nanostructures. Particularly, surface etching by ion beams at grazing incidence is of interest for applications, because it provides pronounced submicron size, self-organized ripples. Formation [...]

Surfaces and Films

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Large-scale Simulations of Adhesion in Dense Polymer Melts

Grest G.S., Sides S.W., Stevens M.J., Sandia National Laboratories, US

We study adhesion between a polymer melt and substrate due to tethered chains on the substrate surface. We have performed extensive molecular dynamics simulations to study the effect of tethered chain density (S), tethered chain [...]

Modeling and Mass-Distance Scaling of a Nanometer Starburst Polymer

Rothschild W.G., Wayne State University, US

We report numerical scaling of cumulative mass with intramolecular distance of a model of one of the four segments of the hyperbranched poly(propylene!imine)-dendr-DAB(CN)64 molecule. Assuming prevalent repulsive link!link forces gives a power law relation with [...]

Illustrative Modeling Studies on Elastomers and Rubberlike Elasticity

Mark J.E., The University of Cincinnati, US

Examples are given to illustrate the use of computer modeling to elucidate the structures of elastomeric polymer networks, and to provide guidance on controlling these structures to maximize mechanical properties. The first example involves simulations [...]

Colloidal Aggregation in the Presence of Gravity

Gonzalez A.E., Universidad Nacional Autonoma de Mexico, MX

A computational model for colloidal aggregation is presented that considers the Brownian motion, the sedimentation and the deposition experienced by the colloidal particles and clusters. Among the results, for intermediate strengths of the downward gravitational [...]

Polymers and Colloids

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