SES 2013
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Computational Materials Design via Multi-scale Modeling


Time Location Session Chair Paper Authors
Wed 9:00 - 10:30 Barus-Holley 190 William Curtin (EPFL), Yue Qi (General Motors R&D) Making Nanomechanics Simulations Physical – Response EAM Potentials Hanchen Huang (University of Connecticut)
Stable storage of Helium in nanoscale platelets at semicoherent interfaces Abishek Kashinath (MIT), Michael Demkowicz (MIT)
Half-metallicity in a BiFeO3 /La2/3Sr1/3MnO3 heterostructure: A first-principles study Jiwuer Jilili (King Abdullah University of Sc)
Understanding Li-ion batteries failure from first-principles calculations: The effect of lithiation on the Si/Cu interface in Si anodes Maria Stournara (Brown univ), priya Johari (Brown University), Yue Qi (General Motors R&D), vivek shenoy (upenn)
Wed 10:45 - 12:15 Barus-Holley 190 Louis J. Hector, Jr. (General Motors R&D), Hanchen Huang (University of Connecticut) Multi-scale Computational Design of Solute Strengthened Aluminum Alloys William Curtin (EPFL), Shyam Keravalarma (EPFL), Allan Bower (Brown University), Louis J. Hector, Jr. (General Motors R&D), Raj Mishra (GM Research and Development Center, Warren, Michigan, 48090)
GP Multiscale Computational Methods for Designing Multimodal Materials Jinghong Fan (Alfred University), ross Stewart (Alfred University)
A technique-synergy for the mesoscale, three-dimensional modeling and simulation of metal alloys Kiran Narayanan (KAUST), Tamer El Sayed (KAUST)
Microscale-Calibrated Modeling of the Deformation Response of Dual-phase Steels Peng Chen (Brown University), Hassan Ghassemi Armaki (Brown University), Sharvan Kumar (Brown University), Allan Bower (Brown University), Shrikant Bhat (ArcelorMittal Global R&D), Sriram Sadagopan (ArcelorMittal Global R&D)
Wed 1:30 - 2:50 Barus-Holley 190 Jinghong Fan (Alfred University), David McDowell (Gerogia Tech) Design of Ultra-High-Performance Fiber-Reinforced Concrete to Withstand Blast and Impact Loading Brett Ellis (Georgia Institute of Tech.), David McDowell (Gerogia Tech), Min Zhou ()
Virtual Characterization of composites with Lamination Defects for wind turbine spar cap MUKUNDAN SRINIVASAN (BERGICHE UNIVERSITAT WUPPERTAL)
Molecular Simulation Guided Constitutive Modeling on Finite Viscoelasticity of Elastomers Ying Li (Northwestern University), Shan Tang (Chongqing University), Brendan C. Abberton (Northwestern University), Martin Kroger (ETH Zurich), Wing Kam Liu (Northwestern University)
Phase-Field-Crystal Modeling of Polycrystalline Plasticity: A Window into Defect-Mediated Phenomena in between Particle and Discrete Dislocation Dynamics Alain Karma (Northeastern University)