Predicting Problematic Approach Behavior Toward Politicians: Exploring the Potential Contributions of Control Theory

The potential merits of Carver and Scheier's (1981) control theory in the prediction of targeted violence are reviewed and several novel indicators of risk that are consistent with this theory are suggested for study. It was hypothesized that: (a) similarity between inappropriate contact with politicians and extremist group literature and writings; (b) the temporal proximity to violent or otherwise criminal actions and notable anniversaries of such groups; (c) detailed specification of a plan to engage in problematic approach behavior, and; (d) self-focus, will be significant predictors of problematic approach behavior. A sample of 506 individuals who engaged in threatening or otherwise inappropriate contact toward members of the United States Congress was drawn from the case files of the United States Capitol Police. Results of the present research indicated that detailed specification of a plan to engage in problematic approach behavior was strongly predictive of actually engaging in problematic approach. Furthermore, high self-focus was significantly related to problematic approach between-persons, although within-person, higher-than-average self-focus showed no such relation. Neither temporal proximity to notable acts of extremist violence nor similarity to known extremist group writings was found to be associated with problematic approach in this sample.

MOLECULAR DYNAMICS STUDIES OF SIMPLE MODEL FLUIDS AND WATER CONFINED IN CARBON NANOTUBE

Molecular Dynamics (MD) simulation is one of the most important computational techniques with broad applications in physics, chemistry, chemical engineering, materials design and biological science. Traditional computational chemistry refers to quantum calculations based on solving Schrodinger equations. Later developed Density Functional Theory (DFT) based on solving Kohn-Sham equations became the more popular ab initio calculation technique which could deal with ~1000 atoms by explicitly considering electron interactions. In contrast, MD simulation based on solving classical mechanics equations of motion is a totally different technique in the field of computational chemistry. Electron interactions were implicitly included in the empirical atom-based potential functions and the system size to be investigated can be extended to ~106 atoms. The thermodynamic properties of model fluids are mainly determined by macroscopic quantities, like temperature, pressure, density. The quantum effects on thermodynamic properties like melting point, surface tension are not dominant. In this work, we mainly investigated the melting point, surface tension (liquid-vapor and liquid-solid) of model fluids including Lennard-Jones model, Stockmayer model and a couple of water models (TIP4P/Ew, TIP5P/Ew) by means of MD simulation. In addition, some new structures of water confined in carbon nanotube were discovered and transport behaviors of water and ions through nano-channels were also revealed.