Application of modern network theory to analysis of complex systems

Modern network theory applications to analysis of complex system

Dimensional Strategies and the Minimization Problem: Barrier-Avoiding Algorithms

In the present paper we examine the role of dimensionality in the minimization problem. Since it has such a powerful influence on the topology of the associated potential energy landscape, we argue that it may prove useful to alter the dimensionality of the space of the original minimization problem. We explore this general idea in the context of finding the minimum energy geometries of Lennard-Jones clusters. We show that it is possible to locate barrier-free, high-dimensional pathways that connect local, three-dimensional cluster minima. The performance of the resulting, “barrier-avoiding minimization” algorithm is examined for clusters containing as many as 55 atoms

Taming the rugged energy landscape: Techniques for the production, reordering, and stabilization of selected cluster inherent structures

We report our studies of the potential energy surface (PES) of selected binary Lennard-Jones clusters. The effect of adding selected impurity atoms to a homogeneous cluster is explored. Inherent structures and transition states are found by combination of conjugate-gradient and eigenvector-following methods while the topography of the PES is mapped with the help of a disconnectivity analysis. We show that we can controllably induce new structures as well as reorder and stabilize existing structures that are characteristic of higher-lying minima.Comment: 9 pages, 9 figures, accepted for publication in J. Chem. Phy

The Market for Organic Oats in Germany and the United States

This market research paper has been prepared under the supervision of Prof. Dr. Wolfgang Veit of Cologne University of Applied Sciences and Prof. Dr. Carol Scovotti of University of Wisconsin-Whitewater in the course of the inter-university cross-border collaboration student research project “Export Opportunity Surveys (EOS)”. This study explores organic oats export opportunities to the German and US markets

New Bending Algorithm for Field-Driven Molecular Dynamics

A field-driven bending method is introduced in this paper according to the coordinate transformation between straight and curved coordinates. This novel method can incorporate with the periodic boundary conditions in analysis along axial, bending, and transverse directions. For the case of small bending, the bending strain can be compatible with the beam theory. Consequently, it can be regarded as a generalized SLLOD algorithm. In this work, the bulk copper beam under bending is analyzed first by the novel bending method. The bending stress estimated here is well consistent to the results predicted by the beam theory. Moreover, a hollow nanowire is also analyzed. The zigzag traces of atomic stress and the corresponding 422 common neighbor type can be observed near the inner surface of the hollow nanowire, which values are increased with an increase of time. It can be seen that the novel bending method with periodic boundary condition along axial direction can provide a more physical significance than the traditional method with fixed boundary condition

P15 Predictive Modeling of Pattern-Dependent Etch Effects in Large-Area Fully-Integrated 3D Virtual Fabrication

Abstract -We present a predictive modeling approach for pattern-dependent etch processes implemented in a 3D virtual fabrication software platform. This technique combines long-range effects using design data and short-range effects using predictive 3D models of the design-technology interaction. For the first time, this type of pattern-dependent predictive capability is integrated into a full 3D virtual fabrication environment to enable fast accurate structural modeling of complex advanced technologies such as FinFETs, 3D memory and BEOL interconnect