AVS 61st International Symposium & Exhibition
    Surface Science Wednesday Sessions

Session SS+AS-WeM
Atomistic Modeling of Surface Phenomena

Wednesday, November 12, 2014, 8:00 am, Room 312
Moderators: Carol Hirschmugl, University of Wisconsin Milwaukee, Eddy Tysoe, University of Wisconsin-Milwaukee


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  in Adobe Acrobat format  

Click a paper to see the details. Presenters are shown in bold type.

8:00am SS+AS-WeM1
Oxidation of Cu Surfaces with Step-Edge Defects: Insights from Reactive Force Field Simulation
Qing Zhu, W.A. Saidi, J. Yang, University of Pittsburgh
8:20am SS+AS-WeM2
The Role of Time-scale Analysis in Simulation of ALD and CVD Surface Reaction Kinetics
Raymond Adomaitis, E. Remmers, C.D. Travis, D. Arana-Chavez, University of Maryland, College Park
8:40am SS+AS-WeM3 Invited Paper
Hydrogen Production from Formic Acid on Transition Metals and Alloys: A Selectivity Challenge
Manos Mavrikakis, J. Scaranto, J.A. Dumesic, S. Singh, S. Li, J.A. Herron, R. Carrasquillo, L. Roling, B. O'Neill, G. Peng, University of Wisconsin - Madison
9:20am SS+AS-WeM5
Elucidating Atomic-scale Wear Processes in Hydrocarbon-based Materials via Molecular Dynamics and AFM
Judith Harrison, United States Naval Academy, T.D.B. Jacobs, University of Pennsylvania, P.L. Keating, M. Fallet, United States Naval Academy, J.D. Schall, Oakland University, Y. Jiang, K.T. Turner, R.W. Carpick, University of Pennsylvania, K.E. Ryan, United States Naval Academy
9:40am SS+AS-WeM6
Theoretical Investigation of the Structure and Properties of Titania/Graphene Hybrid Materials
Ivan Iordanov, C.J. Karwacki, Edgewood Chemical And Biological Center, G.M. Mogilevsky, Booz Allen Hamilton
11:00am SS+AS-WeM10
Real-Time Ab-Initio KMC Simulation of the Self-Assembly and Sintering of Bimetallic Epitaxial Nanoclusters: Au+Ag on Ag(100)
James Evans, Y. Han, D.-J. Liu, Iowa State University
11:20am SS+AS-WeM11
Progress in Characterizing Submonolayer Island Growth: Capture-Zone Distributions, Growth Exponents, and Hot Precursors
TheodoreL. Einstein, J.R. Morales-Cifuentes, University of Maryland, College Park, A. Pimpinelli, Rice Quantum Institute
11:40am SS+AS-WeM12
Molecular Dynamics Simulation of Ge Deposition and Islanding on Amorphous Silica Substrates
C.Y. Chuang, University of Pennsylvania, S.M. Han, University of New Mexico, Talid Sinno, University of Pennsylvania
12:00pm SS+AS-WeM13
Dimerization Induced Deprotonation of Water on RuO2(110)
R. Mu, D.C. Cantu, V.-A. Glezakou, Z. Wang, I. Lyubinetsky, R. Rousseau, Zdenek Dohnalek, Pacific Northwest National Laboratory