Multiscale Materials (Theory, Modeling and Experiments that Bridge Scales)
FOCUS · T22 ·
Presentations
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Non-Uniqueness in Energy Minimization of Atomistic and Multiscale Problems: A Branch-Following and Bifurcation Investigation
COFFEE_KLATCH · Invited
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Authors
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Ellad Tadmor
- University of Minnesota
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Electronic structure calculations at macroscopic scales using orbital-free DFT
ORAL
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Authors
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Balachandran Gadaguntla Radhakrishnan
- University of Michigan
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Vikram Gavini
- University of Michigan
- Department of Mechanical Engineering
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Quantum Mechanical Simulations of Nanoindentation of Al Thin Film with Mg imurities
ORAL
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Authors
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Qing Peng
- Center for Statistical and Theoretical Condensed Matter Physics, Zhejiang Normal University, Jinhua 321004, China
- Department of Physics and Astronomy, California State University Northridge, Northridge, CA, USA
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Xu Zhang
- Department of Physics and Astronomy, California State University Northridge, Northridge, CA, USA
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Chen Huang
- Department of Physics and Astronomy, California State University Northridge, Northridge, CA, USA
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Emily A. Carter
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Gang Lu
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On calculating the equilibrium structure of molecular crystals
ORAL
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Authors
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Ann Mattsson
- Sandia National Laboratories, Albuquerque, NM 87185
- Sandia National Laboratories
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Ryan R. Wixom
- Sandia National Laboratories, Albuquerque, NM 87185
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Thomas R. Mattsson
- HEDP Theory, Sandia National Laboratories, USA.
- Sandia National Laboratories, Albuquerque, NM 87185
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Atomistic models of Si nanocrystals embedded in Si-rich nitride and oxide matrices
ORAL
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Authors
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Tianshu Li
- Department of Chemistry, University of California Davis
- University of California, Davis
- Dept. Chemistry, UC Davis
- Department of Physics, University of California, Davis, CA 95616
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Davide Donadio
- Dept. Chemistry, UC Davis
- Dept. of Chemistry, UC Davis
- Department of Chemistry, UC Davis, USA
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Francois Gygi
- Department of Applied Science and Department of Computer Science, University of California Davis
- University of California Davis
- Dept. Applied Science \& Dept. Computer Science, UC Davis
- UC Davis
- Dept. of Applied Science and Dept. of Computer Science, UC Davis
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Giulia Galli
- Dept. of Chemistry and Dept. of Physics, UC Davis
- Department of Chemistry and Department of Physics, University of California Davis
- Dept of Chemistry \& Dept Physics, UC Davis
- Department of Chemistry and Department of Physics, UC Davis, USA
- Department of Chemistry and Department of Physics, University of California, Davis
- UC Davis
- Department of Chemistry, University of California, Davis, USA
- University of California, Davis
- Department of Chemistry and Department of Physics, University of California, Davis, CA, 95616
- Department of Chemistry and Department of Physics, University of California, Davis, CA 95616
- Chemistry Department and Physics Department UC Davis, Davis CA
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A multiphysics numerical technique for THz-frequency carrier transport in semiconductors and metals
ORAL
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Authors
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K. J. Willis
- University of Wisconsin - Madison
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S. C. Hagness
- University of Wisconsin - Madison
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Irena Knezevic
- University of Wisconsin Madison
- University of Wisconsin - Madison
- University of Wisconsin-Madison
- Electrical Engineering Dept., University of Wisconsin-Madison
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Magnetic Resonance and Electrical Conductivity in Mixed Porosity Systems
ORAL
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Authors
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S. Ryu
- Schlumberger
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Z. Zhang
- U. Rhode Island
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L. Schwartz
- Schlumberger
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D. Johnson
- Schlumberger
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Earthquake Models in the Natural Time Domain
ORAL
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Authors
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John Rundle
- University of California, Davis
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James Holliday
- University of California, Davis
- UC Davis
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Damage Mechanics Model for Fracture Nucleation and Propagation
ORAL
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Authors
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John Rundle
- University of California, Davis
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Gleb Yakovlev
- University of California, Davis
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Joseph Gran
- University of California, Davis
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Donald Turcotte
- University of California, Davis
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William Klein
- Boston University
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Atomistic Simulation of Lithiated Mesoporous Manganese Dioxide
ORAL
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Authors
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Phuti E. Ngoepe
- Materials Modelling Centre, University of Limpopo, P/Bag x1106, Sovenga,0727, SA
- Materials Modelling Centre, Private Bag x1106, University of Limpopo, Sovenga 0727, South Africa
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Thi X. Sayle
- DSSR, Cranfield University, Defence Academy of the United Kingdom, Shrivenham, Swindon, SN6 8LA, UK
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Dean C. Sayle
- DSSR, Cranfield University, Defence Academy of the United Kingdom, Shrivenham, Swindon, SN6 8LA, UK
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Coupling the atomistic and continuum simulation
ORAL
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Authors
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Guowu Ren
- Department of Physics, Fudan University, Shanghai 200433, China
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Dier Zhang
- Department of Physics, Fudan University, Shanghai 200433, China
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Xingao Gong
- Department of Physics, Fudan University, Shanghai 200433, China
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Locally adaptive parallel temperature accelerated dynamics method
ORAL
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Authors
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Yunsic Shim
- University of Toledo
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Jacques G. Amar
- University of Toledo
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