The formation of extended defects in graphene from the coalescence of individual mobile vacancies can significantly alter its mechanical, electrical and chemical properties. We present the results of ab initio simulations which demonstrate that the strain created by multi-vacancy complexes in graphene determine their overall growth morphology when formed from the coalescence of individual mobil...

The electron-attached (EA) and ionized (IP) symmetry-adapted-cluster configuration-interaction (SAC-CI) methods and their equation-of-motion coupled-cluster (EOMCC) analogs provide an elegant framework for studying open-shell systems. As shown in this study, these schemes require the presence of higher-order excitations, such as the four-particle-three-hole (4p-3h) or four-hole-three-particle (...

in this paper, a new model based on kinetic theory of gases and longitude oscillations of metallic nanocluster on single carbon nanotube (cnt) in addition to phononvibrations of cnt on substrate is presented to describe the growth mechanism of ultra-long cnt in chemical vapor deposition (cvd).interaction between cnt and catalyst is investigated by lennard-jones potential. simulations demonstrat...

this study was performed based on 482 questionnaires from 30 food companies' salespeople which contained 39-items. for testing the model, multilevel approach and hlm 6.05 was used. the main effects of basic physiological needs (relatedness, competency and autonomy) and moderation and main effects of competitive climate and collective sales efficacy were investigated. results showed related...

We describe the CoJACK cognitive architecture. It is designed to provide an intuitive, high level behaviour representation language that exhibits variability across individuals and across time for use in synthetic environments. The included moderator layer enables modelling of physiological factors and affect. We report initial results of an investigation of variability and time-based moderatio...

The volatility of output and inflation has varied substantially across countries and over time. While the global economy was very turbulent in the 1970s, macroeconomic volatility declined sharply in the following years in what has been termed the ‘Great Moderation’. This decline took place to different extents in different countries. In the United States, for example, the Great Moderation is us...

© 2005 Society for the Study of Addiction Addiction, 100 , 293–298 challenge could now be made to leaders in the alcohol treatment field in the United States. Low-risk drinking outcomes are a documented pathway to recovery in the United States as in other countries. Importantly, having moderation services available could facilitate such recoveries. Yet, advocacy for such services, even by gover...