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Mathematical Methods Session A Mon 4 Oct 1199
Understanding Coupled Multiscale Methods: Quasicontinuum Method as an Example Pingbing Ming	11:00 AM
Hot Quasicontinuum study of nanovoids evolution under tension Pilar Ariza	11:40 AM
Numerical Quadrature in the Quasicontinuum Method with Application to Nanoindentation Simulation Bernhard Eidel	12:00 PM
Advancement of the coarse-grained particle method for finite temperature solids Takahide Nakamura	12:20 PM

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Mathematical Methods Session B Mon 4 Oct 1199
Atomistic/Continuum Hybrid Models: Ghost Forces and Consistency Christoph Ortner	2:00 PM
Sampling point selection for energy estimation in the quasicontinuum method Lars Beex	2:40 PM
Reweighting the path ensemble in transition path sampling Jutta Rogal	3:00 PM
Smooth capping of short-range repulsive forces in hybrid atomistic/coarse-grain molecular dynamics simulation Bernd Ensing	3:20 PM

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Mathematical Methods Session C Mon 4 Oct 1199
A mathematical model for the evolution of microstructures in elastoplasticity Alexander Mielke	4:20 PM
Non-stationary moving dislocations: from core equations to an equation of motion Yves-Patrick Pellegrini	5:00 PM
The Hall-Petch effect in nanocrystalline materials – a phase-field-crystal approach Axel Voigt	5:20 PM
Moving dislocations in finite plasticity: a topological approach Thomas Hochrainer	5:40 PM

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Mathematical Methods Session D Tue 5 Oct 1199
From electronic structure to elasticity Jianfeng Lu	11:00 AM
A QM/MM Coupling Method Based on a Particle-Wise Decomposition Approach Jan Hamaekers	11:40 AM
Identification of fundamental materials-design limits in ultra lightweight Mg-Li alloys via quantum-mechanical calculations Martin Friak	12:00 PM
Comparison of application of a multiphase multiscale approach and a continuum formulation to solidification problems Olga Budenkova	12:20 PM

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Mathematical Methods Session E Tue 5 Oct 1199
Asymptotics-based multiconfiguration methods and the electronic structure of transition metal atoms Gero Friesecke	2:00 PM
Hybrid quantum-classical simulation on the Li-graphite intercalation compound Nobuko Ohba	2:40 PM
Application of percolation theory to microtomography of structured media: percolation threshold, critical exponents and upscaling Jie Liu	3:00 PM
A novel multiscale method for atomic–continuum coupling with continuity of both field function and corresponding 1st-order differential Venkataraman Pandurangan	3:20 PM

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Mathematical Methods Session F Tue 5 Oct 1199
Micromechanical modeling of shape memory alloys - energies and evolution Klaus Hackl	4:20 PM
A multiscale coupling approach based on local averaging techniques Konstantin Fackeldey	5:00 PM
Phase field modelling of twin boundary motion in magnetic shape memory alloys Christian Mennerich	5:20 PM
Coherent hydrides in zirconium: role of long-range interactions Rémy Besson	5:40 PM

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Mathematical Methods Session G Wed 6 Oct 1199
The microscopic origin of the dielectric permittivity of materials Eric Cances	11:00 AM
Hybrid atomistic/coarse-grained-particle simulation of dynamic crack growth in a brittle material Ryo Kobayashi	11:40 AM
Multi-scale modelling of shell failure for periodic quasi-brittle materials Benoit Mercatoris	12:00 PM
Simulations of Crack Propagation using Atomistic and Continuum Coupling Method Xiantao Li	12:20 PM

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Mathematical Methods Session H Thu 7 Oct 1199
Stability of discrete dislocations in graphene Pilar Ariza	11:00 AM
A Parametric Simulation Method for Discrete Dislocation Dynamics Michal Beneš	11:20 AM
Model of Topological Changes in Discrete Dislocation Dynamics Petr Pauš	11:40 AM
Calculation of proper vacancy migration energy barriers with artificial neural networks for the modelling of vacancy clusters’ migration. Nicolas Castin	12:00 PM
Simulating distorted nanomaterials: the curvature moduli of graphene Pekka Koskinen	12:20 PM

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Mathematical Methods Session L Fri 8 Oct 1199
Multiscale Methods with Application to Wave Propagation in Heterogeneous Materials Olof Runborg	9:00 AM
Generalized Mass Dynamics: An accelerated Molecular Dynamics Method based on Deterministic Equations Alireza Ghasemi	9:40 AM
A Multi-Scale Approach to Simulate the Forming Limit Diagrams of Aluminum Alloys Kaan Inal	10:00 AM
Constitutive Equations and Multiscale Analysis of Graphene Ted Belytschko	10:20 AM
Multiscale modeling of MgO single crystal plasticity Jonathan Amodeo	10:40 AM

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Mathematical Methods Session M Fri 8 Oct 1199
Analysis of size effect induced by pile-up dislocations using Dislocation Dynamics, Strain Gradient Plasticity and Field Dislocation Mechanics Hyung-Jun Chang	11:20 AM
Theory and Molecular Dynamics Modeling of Spall Fracture in Liquids Vasily Pisarev	11:40 AM

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Mathematical Methods Session P 05/06.10.2010
A 3D multiscale modelling of cortical bone structure, using the inverse identification method: Microfibril scale study Abdelwahed Barkaoui	6:40 PM
Dislocation core modeling of <110> dislocation in SrTiO3 using Peierls-Nabarro-Galerkin method Philippe Carrez	6:40 PM
Modeling Martensitic Phase Transformations via the Self-Consistent Lattice Dynamics Approach Ryan S. Elliott	6:40 PM
Novel Mechanism for Reversible Spin Transition in Prussian Blue Analog Mukul Kabir	6:40 PM
Rate-Dependent Model of Mobility of Interfacial Microstructures in Shape Memory Alloys Ondrej Glatz	6:40 PM
Simulation of Twinning Deformation in Shape Memory Alloys Oliver Kastner	6:40 PM
Thermodynamic Modeling of Phase Transformations of Metals over Wide Range of Pressures and Temperatures Konstantin Khishchenko	6:40 PM