Symposium A
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| P1.01 |
Assessing the fracture strength of geological and related materials via an atomistically based J-integral
Reese Jones, Sandia, USA |
| P1.02 |
Influence of the yield stress on the evolution of a bubble population in a viscoplastic fluid: Consequences on the macroscopic swelling of bitumen drums
Antoine Marchal, CEA Marcoule - DEN/DTCD/SPDE/LP2C, France |
| P1.03 |
Modelling the support effect on the flux through an asymmetric oxygen transport gas separation membranes
Unoaku Unije, Forschungszentrum Jülich GmbH, Germany |
| P1.04 |
Wind load effect on silkworm silk fiber web structure
Isabelle Su, Massachusetts Institute of Technology, USA |
| P1.05 |
Grain growth in porous oxides
Anter El-Azab, Purdue University, USA |
| P1.06 |
Synthesis of geopolymer foams
Petlitckaia Svetlana, CEA Marcoule, France |
| P1.07 |
Separation of pore cluster and defect influences on the failure behavior of Macro-Porous Ceramics
Phil Daro Krummrich, University of Bremen, Germany |
| P1.08 |
Acoustic properties of ceramic micro-scaffolds: FEM analysis and experiments
Alena Kruisova, Czech Academy of Sciences, Czech Republic |
| P1.09 |
From 3D images to 3D printed optimized materials
Sylvain Chupin, CEA, France |
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P1.10
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Mechanical behavior of silica aerogel using Molecular Dynamics simulations: the first modelling step for a multi-scale approach
William Gonçalves, Université Claude-Bernard Lyon 1, France |
Symposium C
|
| P1.11 |
Quantum molecular dynamics: accelerating diffusion via parallel replica method
Ivan Novoselov, All-Russian Research Institute of Automatics n.a. N.L.Dukhov, Russia |
| P1.12 |
Influence of meso and nanoscale structure on the properties of highly efficient small molecule solar cells
Pascal Friederich, Karlsruhe Institute of Technology, Germany |
| P1.13 |
Facilitating reproducibility of multi-scale simulations using a modular workflow system
Pascal Friederich, Karlsruhe Institute of Technology, Germany |
| P1.14 |
Feasible and reliable ab initio calculation of F-elements-bearing materials relevant for nuclear waste management
Piotr Kowalski, Forschungszentrum Juelich, Germany |
| P1.15 |
Representing atomic systems
Johannes Bulin, Fraunhofer Institute for Algorithms and Scientific Computing SCAI, Germany |
| P1.16 |
A hybrid parallel numerical algorithm for three-dimensional phase field modeling of crystal growth
Pavel Strachota, FJFI CVUT v Praze, Czech Republic |
| P1.17 |
Numerical and theoretical modeling of freeze-thaw damage in concrete
Tingtao Zhou, MIT, USA |
| P1.18 |
Development of EAM Fe-Y interaction potential
Sascha Koch, Karlsruhe Institute of Technology, Germany |
Symposium D
|
| P1.19 |
Strain drop measurements of porous materials probing earthquake dynamics
Viktor Soprunyuk, University of Vienna, Austria |
| P1.20 |
Cooperative strings and glassy interfaces
Maxence Arutkin, ESPCI ParisTech, France |
| P1.21 |
A string model for the boson peak in amorphous materials
Fernando Lund, Universidad de Chile, Chile |
| P1.22 |
Ultrasonic techniques to detect dislocation proliferation
Fernando Lund, Universidad de Chile, Chile |
| P1.23 |
Random matrix model of amorphous solids
Yaroslav Beltukov, Ioffe Institute, Russia |
| P1.24 |
Linear viscoelastic characterization of heterogeneous, amorphous polymer blends in the megahertz frequency regime with acoustic wave devices
David Delgado, Northwestern University, USA |
| P1.25 |
Atomic-scale study of high-frequency energy dissipation in oxide glasses
Tanguy Damart, ILM, France |
| P1.26 |
Bond breaking in silica glass by water dimer: hybrid quantum-classical simulation
Ryo Kobayashi, Nagoya Institute of Technology, Japan |
| P1.27 |
Finite-size effects in a model for plasticity of amorphous composites
Claire Lemarchand, Université Paris-Sud, France |
| P1.28 |
Kaiser effect in porous materials
Alessio Guarino, Université de la Réunion, France |
| P1.29 |
A computational framework for discrete shear transformation zone plasticity
Amine Benzerga, Texas A&M University, USA |
Symposium E
|
| P1.30 |
Micro-mechanical analysis of Oxide Dispersion Strengthened ferritic steel tubes transformed by cold pilgering mill
Elena Vakhitova, CEA SACLAY (DEN/SRMA), France |
| P1.31 |
Novel application of potts model for grain growth during welding using spparks
John Mitchell, Sandia National Laboraties, USA |
Symposium F
|
| P1.32 |
From glissile to sessile: influence of temperature on <110> slip in perovskite materials
Pierre Hirel, UMET, University Lille 1, France |
| P1.33 |
Size-dependent potential energy landscapes of vacancy migration in ionic nano particles
Tomoaki Niiyama, Kanazawa university, Japan |
| P1.34 |
Diffusion of vacancies in bcc metals and its dependence on temperature
Karen Fidanyan, Joint Institute for High Temperature of Russian Academy of Sciences, Russia |
| P1.35 |
Charge-variable interatomic potential for UO2 using a second moment tight-binding model
Duval Mbongo, IRSN, France |
| P1.36 |
Density functional theory calculations of vanadium carbides
Sebastian Echeverri Restrepo, SKF, Netherlands |
Symposium G
|
| P1.37 |
Modeling plasticity of MgO at the mesoscale by 2.5D Dislocation Dynamics
Karine Gouriet, UMET, CNRS UMR 8207 - Université Lille 1, France |
| P1.38 |
The Role of Dislocation Pile-up in Flow Stress Determination and Strain Hardening
Katrin Schulz, Karlsruhe Institute of Technology, Germany |
| P1.39 |
Meso-scale simulation of dislocations in irradiated uranium dioxide using two-dimensional dislocation dynamics
Artem Lunev, Joint Institute for High Temperatures of the Russian Academy of Sciences, Russia |
| P1.40 |
Multiscale theory for the climb of jogged dislocations
Pierre-Antoine Geslin, Institut Lumière Matière, Université Lyon 1-CNRS, France
|
| P1.41 |
Investigation of the strengthening induced by coherent precipitates with Dislocation Dynamics
Sylvain Queyreau, LSPM CNRS - Univ. Paris XIII, France |
| P1.42 |
Hydrogen and helium solute effects on screw dislocations in bcc Fe and W from first principles
Lisa Ventelon, CEA, France |
| P1.43 |
The Bauschinger effect in highly confined thin films: a discrete dislocation plasticity study
Sana Waheed, Imperial College London, UK |
Symposium I
|
| P1.44 |
Megahertz frequency rheology of resin-filled silicone elastomers characterized by quartz crystal resonators
Joshua Yeh, Northwestern University, USA |
| P1.45 |
Plastic events of polycrystals under cyclic deformation
Pritam Kumar Jana, Aalto University, Finland |
| P1.46 |
Coarse-grained simulations of polymer matrix compites
Jaafar El-Awady, Johns Hopkins University, USA |
| P1.47 |
Computational smart polymer design based on elastin protein mutability
Anna Tarakanova, MIT, USA |
| P1.48 |
Modelling of size effects in thin polymer films and characterization by molecular dynamics
Fabrice Detrez, Université Paris Est, Laboratoire MSME, France |
| P1.49 |
The influence of crosslinking agents on the deformation mechanisms of thermosetting polymer: a molecular dynamics study
Hyungbum Park, Seoul National University, South Korea |
| P1.50 |
Multiscale approach to characterize crosslinking-dependent interphase region of epoxy nanocomposites
Byungjo Kim, Seoul National University, South Korea |
| P1.51 |
Effective elastic properties of polymeric nanocomposites including the cluster of nanoparticles: Multiscale homogenization approach
Joonmyung Choi, Seoul National University, South Korea |
| P1.52 |
Flow induced alignment of dilute collagen acidic solutions in simple shear and mixed shear-extensional flows for biological plywood formation
Oscar Aguilar Gutierrez, McGill University, Canada |
| P1.53 |
Nanocavitation during deformation of PE/CNT nanocomposite
Nikita Orekhov, Joint Institute for High Temperatures of Russian Academy of Sciences, Russia |
| P1.54 |
Comparative study of two anisotropic damage models based on multi-mechanisms approaches for semi-crystalline polymers
Walid Ayadi, Institut Supérieur des Etudes Technologiques de RADES, Tunisia |
Symposium K
|
| P1.55 |
Silicon nanoparticles grown by magnetron sputtering: crystallisation through hybridisation
Panagiotis Grammatikopoulos, OIST, Japan |
| P1.56 |
Metal-oxide interface effect on the structure of silver nanoparticles deposited on amorphous silica support
Joel Puibasset, CNRS, France |
| P1.57 |
Ordering and surface segregation in CoPt nanoparticles: From surface alloys to nanoalloys
Alexis Front, CNRS/CINaM, France |
| P1.58 |
Atomic structure and local electronic properties of IrPd nanoalloys
Tsiky Andriamiharintsoa, IPCMS, CNRS-Université de Strasbourg, France |
Symposium N
|
| P1.59 |
Effect to replacement Of V By Nb And Fe on the tribological behavior of biomedical titanium alloys
Fellah Mamoun, Mechanical Engineering Department, Algeria |
| P1.60 |
Coarse-grained simulations of polyelectrolyte brush interfaces
Tomoyuki Kinjo, Toyota Central R&D Labs., Inc., Japan |
| P1.61 |
ReacLub: Strong coupling between flow and physical chemistry in lubricated contacts
Stéphane Tromp, LaMCoS, France |
| P1.62 |
Study of diffusion and adsorption mechanisms of amine-based friction modifiers using Tight-Binding and Molecular Dynamics simulations
Rafael Pereira de Matos, Laboratoire de Tribologie et Systèmes Dynamiques - Ecole Centrale de Lyon, France |
| P1.63 |
Shear response of a fluid under extreme pressure and stress
Serigne Ndiaga Ndiaye, LAMCOS, France |
| P1.64 |
Quantum chemical molecular dynamics simulations for clarifying super-low friction mechanism of carbon nitride thin films
Miho Saito, Tohoku Univerity, Japan |
| P1.65 |
Multiscale modeling of friction in structured surfaces
Gianluca Costagliola, University of Torino, Italy |
| P1.66 |
Understanding of the electronic structure and mechanism of linkage isomerization in molybdenum dithiocarbamate
Manuel Cobian, ECL-LTDS, France |
| P1.67 |
Development of movable cellular automata for the prediction of friction and wear
Nadia Salman, University of Leeds, UK |
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