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Monolayer Ordering of Nano-scale Superstructures Kenneth R. Elder, Oakland University, DMR 0906676 In many technologically important processes surface reactions play a key role. For example, surface (heterogeneous) catalysis is used in the production of over 90% of all chemical products. For specific applications, ultra-thin coating (several atomic layers) are often added as they can radically alter surface behavior and function. Unfortunately it is difficult to predict the influence of such layers as strain effects often lead to the formation of complex patterns which also modify surface properties. Recently the PI and collaborators developed a new multi-scale method for modeling such patterns and have made new predictions for the ordering of Cu on Ru(0001) and Pd(111) substrates. Some sample patterns for Cu on Ru(0001) are shown in accompanying figure. Vo (10-3) Patterns formed by ultrathin films of Cu as a function of adhesion energy (Vo). The red (blue) colors correspond to FCC (HCP) ordering sites as shown in d), which also depicts the density field in gray-scale.
Monolayer Ordering of Nano-scale Superstructures Kenneth R. Elder, Oakland University, DMR 0906676 Broader Impact Sample international collaborators Education: • Lectures given for graduate course (Computational Techniques in Materials Science) at KTH Royal Institute of Technology, Stockholm Sweden • Training of high school (M. Nazrulla) and undergraduate researchers (D. Dobbins and F. Sanches) • Publication of graduate textbook, Phase-field methods in Materials Science and Engineering, N. Provatas and K. Elder, Wiley-VCH (2010). P. Galenko, Germany G. Rossi, Finland International collaborations, • South America: E. Granato, J. Ramos, INPE, Sao Jose Dos Campos, Brazil • Africa: S. Mkhonta, U. of Swaziland, Kwaluseni, Swaziland • Europe: P. Galenko, DLR, Cologne, Germany, T. Ala Nissila, C. Achim, Aalto U., Espoo, Finland • Canada: N. Provatas, J. Hoyt, McMaster University, Hamilton, M. Grant, McGill U., Montreal Participation of underrepresented groups • S. Mkhonta, African • F. Sanches, J. Ramos and E. Granato, South American • G. Rossi, K. Thornton, Female Development of infrastructure • Purchase and installation of nodes for Oakland Physics department supercomputing cluster E. Granato, Brazil S. Mkhonta, Swaziland