Organizing Committee
  • Tim Schulze
    University of Tennessee
  • Vivek Shenoy
    University of Pennsylvania
  • Peter Smereka
    University of Michigan
Abstract

The theme of this workshop is the computation, modeling, and mathematical analysis of heterostructured nanocrystalline materials. This includes quantum dots, nanowires, graphene, and grain boundaries. These various phenomena will be discussed in the context of modeling and computation on different scales ranging from density functional theory to continuum mechanics. The workshop will also address various techniques that allow one to combine models on different scales to yield efficient computational methods.

Image for "Heterostructured Nanocrystalline Materials"
Simulation of Stranski-Krastanov growth using kinetic Monte Carlo

Confirmed Speakers & Participants

  • Speaker
  • Poster Presenter
  • Attendee
  • Virtual Attendee
  • Arvind Baskaran
    University of Maryland College Park
  • Henry Boateng
    STFC Daresbury Laboratory
  • Victor Chan
    University of Michigan
  • Eric Chason
    Brown University
  • Matt Elsey
    Intel Corporation
  • Selim Esedoglu
    University of Michigan
  • Jim Evans
    Iowa State University
  • Brittan Farmer
    University of Minnesota
  • Irene Fonseca
    Carnegie Mellon
  • Carlos Garcia-Cervera
    University of California, Santa Barbara
  • Yong Han
    Iowa State University
  • Shaun Hendy
    University of Auckland
  • Jeff Hoyt
    McMaster University
  • Robert Kohn
    Courant Institute of Mathematical Sciences NYU
  • Joachim Krug
    Institute for Theoretical Physics University of Cologne
  • Marta Lewicka
    University of Pittsburgh
  • Xingjie Li
    University of North Carolina at Charlotte
  • Jianfeng Lu
    Duke University
  • Mitchell Luskin
    University of Minnesota
  • Irfan Mansuri
    Devi Ahilya University
  • Dionisios Margetis
    University of Maryland
  • Normand Modine
    Sandia National Laboratories
  • Marco Morandotti
    Technische Universitat Munchen
  • Hoai-Minh Nguyen
    Ecole Polytechnique Federale de Lausanne
  • Paul Patrone
    National Institute of Standards and Technology (NIST)
  • Paolo Piovano
    University of Vienna
  • Nirand Pisutha-Arnond
    University of Michigan
  • Kristofer Reyes
    University at Buffalo
  • Tim Schulze
    University of Tennessee
  • Vivek Shenoy
    University of Pennsylvania
  • Peter Smereka
    University of Michigan
  • Brian Spencer
    University at Buffalo
  • Ellad Tadmor
    University of Minnesota
  • Jerry Tersoff
    IBM
  • Axel Voigt
    Institute of Scientific Computing - Technische Universitat Dresden
  • Peter Voorhees
    Northwestern University
  • Benedikt Wirth
    University of Munster
  • Zhengyu Zhang
    Hefei National Laboratory for Physical Sciences at the Microscale
  • Barbara Zwicknagl
    University of Bonn

Workshop Schedule

Wednesday, May 30, 2012
TimeEventLocationMaterials
8:30 - 9:25am EDTWelcome Coffee and Registration11th Floor Collaborative Space 
9:25 - 9:30am EDTICERM Director's Welcome - Jeffrey Brock, ICERM Deputy Director11th Floor Lecture Hall 
9:30 - 10:00am EDTEffective rate constants for nanostructured heterogeneous catalysts - Shaun Hendy, Victoria University of Wellington11th Floor Lecture Hall
10:00 - 10:30am EDTCoffee/Tea Break11th Floor Collaborative Space 
10:30 - 11:00am EDTVariational Methods for Crystal Surface Instability - Irene Fonseca, Carnegie Mellon University11th Floor Lecture Hall
11:00 - 11:30am EDTReconstruction, Disorder, and Nanostructure Formation at Compound Semiconductor Surfaces - Normand A. Modine, Sandia National Laboratories11th Floor Lecture Hall
11:30 - 1:30pm EDTBreak for Lunch  
1:30 - 2:00pm EDTPattern formation in a compressed elastic film on a compliant substrate - Robert V. Kohn, Courant Institute, NYU11th Floor Lecture Hall
2:00 - 2:30pm EDTOrigins of Residual Stress in Thin Films - Eric Chason, Brown University11th Floor Lecture Hall 
2:30 - 3:00pm EDTQuantum Phase Transitions in Topological Insulator and Graphene Nanoribbon Heterostructures - Zhenyu Zhang, University of Science and Technology of China & Harvard University11th Floor Lecture Hall
3:00 - 3:30pm EDTCoffee/Tea Break11th Floor Collaborative Space 
3:30 - 4:00pm EDTMultigrid Methods in Multiscale Modeling of Atomic Solids - Carlos J. Garcia-Cervera, University of California, Santa Barbara11th Floor Lecture Hall
4:00 - 4:30pm EDTWrinkling of a floating elastic film- energy and pattern - Hoai-Minh Ngyuen, University of Minnesota11th Floor Lecture Hall
4:30 - 5:00pm EDTAsymmetric transition states in quantum dots - Brian Spencer, University at Buffalo11th Floor Lecture Hall
5:00 - 7:30pm EDTReception and Poster Session11th Floor Lecture Hall and Collaborative Space 
Thursday, May 31, 2012
TimeEventLocationMaterials
9:30 - 10:00am EDTQuasiequilibrium Monte Carlo- Off-Lattice Kinetic Monte Carlo Without Saddle Points - Henry Boateng, University of Michigan11th Floor Lecture Hall
10:00 - 10:30am EDTCoffee/Tea Break11th Floor Collaborative Space 
10:30 - 11:00am EDTCompositional Uniformity of Deoped Nanowires and the Stability of Nanowire Growth - Peter Voorhees, Northwestern University11th Floor Lecture Hall 
11:00 - 11:30am EDTThreshold dynamics for the mean curvature motion of networks with unequal surface tensions - Selim Esedoglu, University of Michigan11:30
11:30 - 11:40am EDTGroup Photo11th Floor Lecture Hall 
11:40 - 1:30pm EDTBreak for Lunch  
1:30 - 2:00pm EDTHyper-QC- Accelerated Finite-Temperature Quasicontinuum Simulations Using Hyperdynamics - Ellad B. Tadmor, University of Minnesota11th Floor Lecture Hall
2:00 - 2:30pm EDTFar-from-equilibrium formation of multi-component heteroepitaxial metal nanostructures - Jim Evans, Iowa State University11th Floor Lecture Hall
2:30 - 3:00pm EDTElasticity of prestrained structures - Marta Lewicka, University of Pittsburgh11th Floor Lecture Hall
3:00 - 3:30pm EDTCoffee/Tea Break11th Floor Collaborative Space 
3:30 - 4:00pm EDTDynamic Density Functional Theory (DDFT) model for nano-crystal growth from fluid phase- The effect of fluid flow - Arvind Baskaran, University of California, Irvine11th Floor Lecture Hall
4:00 - 4:30pm EDTUniversality of step bunching behavior in systems with non-conserved dynamics - Joachim Krug, Institut fuer Theoretische Physik, Universitaet zu Koeln11th Floor Lecture Hall
4:30 - 5:00pm EDTComplex dynamics and morphologies in nanowire growth - Jerry Tersoff, IBM11th Floor Lecture Hall
Friday, June 1, 2012
TimeEventLocationMaterials
9:00 - 9:30am EDTFast KMC simulation of Heteroepitaxial Growth - Tim Schulze, University of Tennesse11th Floor Lecture Hall 
9:30 - 10:00am EDTCrystal facets in epitaxy- Progress and challenges - Dionisios Margetis, University of Maryland11th Floor Lecture Hall
10:00 - 10:05am EDTSurvey Distribution 11th Floor Lecture Hall 
10:05 - 10:35am EDTCoffee/Tea Break11th Floor Collaborative Space 
10:30 - 11:00am EDTA phase-field-crystal study for heterogeneous nucleation - Axel Voigt, University of Dresden11th Floor Lecture Hall
11:00 - 11:30am EDTMolecular dynamics simulations of FCC- BCC interphase boundary kinetics in pure Fe - Jeff J. Hoyt, McMaster University11th Floor Lecture Hall
11:30 - 1:30pm EDTBreak for Lunch  
1:30 - 2:00pm EDTAtomistic-to-Continuum Coupling Methods - Mitchell Luskin, University of Minnesota11th Floor Lecture Hall
2:00 - 2:30pm EDTKinetic Monte Carlo Simulation of Heteroepitaxial Growth- Wetting Layers, Quantum Dots, Capping, and NanoRings - Peter Smereka, University of Michigan11th Floor Lecture Hall