Proceedings of the Fifth International Conference ... · Proceedingsofthe Fifth International...
Transcript of Proceedings of the Fifth International Conference ... · Proceedingsofthe Fifth International...
Proceedings of the
Fifth
International
Conference
Multiscale Materials
Modeling MMM2010
October 4-8, 2010, Freiburg, Germany
Editors and Conference Chairs:
Peter Gumbsch, Erik van der Giessen
Organized byFraunhofer Institute
for Mechanics of Materials IWM
Hosted by University of Freiburg
Plenary Lectures
Irradiation resistant materials for extreme environments
R. S. Averback 3
PlenarySession 5
Modeling Failure, Fatigue and Fragmentation
H. Herrmann 4
Plenary Session 6
Molecular Organization, Dynamics and Dissipation in
Nanojunctions, Nanofluids and Membranes
U. Landman 5
Plenary Session 7
Energy barriers and hysteresis in martensitic phasetransformations
S. Muller. 6
Plenary Session 3
Multiscale Analysis as an Approximation Scheme
M. Ortiz 7
Plenary Session 8
Theory of dynamical response of live cells to mechanical stresses
S.Safran tt
Plenary Session 4
The Role of van der Waals Interactions in Physics, Chemistry, and
Biology; Insights from DFT and BeyondM. Scheffler 9
Plenary Session 1
Computations and Experiments in Four Dimensions
P. W. Voorhees 10
Plenary Session 2
IX
Symposium
Mathematical Methods
A 3D multiscale modelling of cortical bone structure, using the
inverse identification method: Microfibril scale study
A. Barkaoui 13
Session math P
Multiscale modeling of MgO single crystal plasticity
/. Amodeo 17
Session math L
Hot Quasicontinuum study of nanovoids evolution under tension
P.Ariza 18
Session math A
Stability of discrete dislocations in grapheneP. Ariza 22
Session math H
Sampling point selection for energy estimation in the
quasicontinuum method
I. Beex 23
Session math B
Constitutive Equations and Multiscale Analysis of Graphene
T. Belytschko 27
Session math L
A Parametric Simulation Method for Discrete Dislocation Dynamics
M. Benes 28
Session math H
Coherent hydrides in zirconium: role of long-range interactions
R.Besson 32
Session math F
Comparison of application of a multiphase multiscale approach and
a continuum formulation to solidification problems0. Budenkova 36
Session math D
The microscopic origin of the dielectric permittivity of materials
E. Cances 40
Session math G
Dislocation core modeling of <110> dislocation in SrTi03 usingPeierls-Nabarro-Galerkin method
P. Carrez 41
Session math P
X
Calculation of proper vacancy migration energy barriers with
artificial neural networks for the modelling of vacancy clusters'
migration.
N. Castin 42
Session math H
Analysis of size effect induced by pile-up dislocations usingDislocation Dynamics, Strain Gradient Plasticity and Field
Dislocation Mechanics
H. Chang 43
Session math M
Real-Space Methods for Multiscale Modeling ofFerroelectrics
K, Dayal 44
Numerical Quadrature in the Quasicontinuum Method with
Application to Nanoindentation Simulation
ft Eidel 45
Session math A
Modeling Martensitic Phase Transformations via the Self-
Consistent Lattice Dynamics Approach
R.S. Elliott 4f>
Session math P
Smooth capping ofshort-range repulsive forces in hybridatomistic/coarse-grain molecular dynamics simulation
ft Ensing 47
Session math B
A multiscale coupling approach based on local averagingtechniques
if. Fackeldey 54
Session math F
Identification of fundamental materials-design limits in ultra
lightweight Mg-Li alloys via quantum-mechanical calculations
M. Friak
Session math D
Asymptotics-based multiconfiguration methods and the electronic
structure of transition metal atoms
G. Friesecke 56
Session math E
Generalized Mass Dynamics: An accelerated Molecular Dynamics
Method based on Deterministic Equations
A, Ghasemi 57
Session math L
XI
Rate-Dependent Model of Mobility of Interfacial Microstructures in
Shape Memory Alloys
0. Glatz 58
Session math P
Micromechanical modeling of shape memory alloys - energies and
evolution
K. Hackl 62
Session math F
A QM/MM Coupling Method Based on a Particle-Wise
Decomposition Approach
/. Hamaekers 72
Session math D
Moving dislocations in finite plasticity: a topological approach
T. Hochrainer 73
Session math C
A Multi-Scale Approach to Simulate the Forming Limit Diagrams of
Aluminum Alloys
K. Inal 74
Session math L
Novel Mechanism for Reversible Spin Transition in Prussian Blue
AnalogM. Kabir 78
Session math P
Simulation of Twinning Deformation in Shape MemoryAlloys
O.Kastner 79
Session math P
Thermodynamic Modeling ofPhase Transformations ofMetals over
Wide Range of Pressures and Temperatures
K. Khishchenko 80
Session math P
Hybrid atomistic/coarse-grained-particle simulation of dynamiccrack growth in a brittle material
R, Kobayashi 81
Session math C
Simulating distorted nanomaterials: the curvature moduli of
graphene
P. Kosktnen 85
Session math H
XII
Modelling of deformation behaviour ofcopper in Cone-Cone
Method, High Pressure Torsion and Tube Twisting
V. Lemiale 86
Simulations of Crack Propagation using Atomistic and Continuum
Coupling Method
X.Li 87
Session math G
Application of percolation theory to microtomography of
structured media: percolation threshold, critical exponents and
upscaling
J. Liu 8ii
Session math E
From electronic structure to elasticity
J. Lu 92
Session math D
Phase field modelling oftwin boundary motion in magnetic shape
memory alloys
C. Mennerich 93
Session math F
Multi-scale modelling of shell failure for periodic quasi-brittlematerials
B. Mercatoris 97
Session math G
A mathematical model for the evolution of microstructures in
elastoplasticityA.Mielke 101
Session math C
Understanding Coupled Multiscale Methods: QuasicontinuumMethod as an ExampleP. Ming 102
Session math A
Advancement of the coarse-grained particle method for finite
temperature solids
T.Nakamura 106
Session math A
Hybrid quantum-classical simulation on the Li-graphiteintercalation compound
N. Ohba 110
Session math E
XIII
Atomistic/Continuum Hybrid Models: Ghost Forces and Consistency
C. Ortner 114
Session math B
A novel multiscale method for atomic-continuum coupling with
continuity of both field function and corresponding lst-order
differential
P. Venkataraman 15
Session math E
Model of Topological Changes in Discrete Dislocation Dynamics
P.Paus 119
Session math H
Non-stationary moving dislocations: from core equations to an
equation of motion
Y. Pellegrini 123
Session math C
Theory and Molecular Dynamics Modeling of Spall Fracture in
Liquids
V. Pisarev 124
Session math M
Reweighting the path ensemble in transition path sampling
J.Rogal 125
Session math S
Multiscale Methods with Application to Wave Propagation in
Heterogeneous Materials
0. Runborg 126
Session math L
The Hall-Petch effect in nanocrystalline materials ~ a phase-field-crystal approachA. Voigt 1Z7
Session math C
XIV
Symposium
Micromechanics
Twin toughening in ferroelectric materials: Effect of microstructure
on fracture process
A. Abdollahi 131
Session mecH
Interplay between fast crack propagation and surface
reconstructions in Silicon brittle fracture
T.Albaret 135
Session mec D
A damage-coupled material law for semicrystalline polyethylene
/. Alvarado-Contreras 136
Session mec Gl
Dilute Discrete Dislocation Dynamics in BCC Crystals
P.Ariza 137
Session mecP
Dislocation densities and size dependent deformation of
polycrystalsS. Bargmann 141
Session mec F2
Role of discrete intra-granular slip bands on the plastic behavior of
poly-crystals
S, Berbenni 14.1
Session mec E
Directional Deformation Memory in Metallic Glasses: Insights from
Atomistic Simulations for Mesoscale ModelingE. Bitzek 14<>
Session mec C2
Plastic deformation mechanisms in nanocrystalline FCC metals: A
Molecular Dynamics Study
C.Brandl 147
Session mecA
Towards combining Molecular Dynamics and Dislocation Dynamicsto study Fatigue Crack Propagation
S. Brinckmann 14(1
Session mec Fl
Investigation ofthe onset of plasticity in silicon nanostructures by
molecular dynamics simulations
S. Brochard 14')
Session mecA
XV
On the J and M integrals during the crack crazing patterns
interactions.
M. Chabaat ISO
Session mecP
Influence ofthe Vacancy on Dislocation Mobility in BCC Metals
Z. Chen 151
Session mec P
Multi-scale modelling of localization and damage: a computational
homogenization approach
E. Coenen 152
Session mec E
Algorithms for Discrete Dislocation Modeling ofFracture
W.Curtin 153
Session mec D
A New Interpretation ofthe Haasen Plot for Solute-Strengthened
Alloys
W. Curtin ,164
Session mec P
Solute strengthening in Aluminum alloysW. Curtin 165
Session mecmod I
Multiscale Modeling ofHydrogen Embrittlement
W. Curtin 166
Session mec Fl
Multisite model prediction of twinning induced anisotropy in fee
metals
S. Dancette 167
Session mecmodL
Multisite modeling ofstrain heterogeneity in multiphase
polycrystals - Evaluation based on CPFEM and experiment
L. Delannay 168
Session mec K
Effect ofthe stacking-fault energy on dislocation junctions in FCC
metals
L, Dupuy 169
Session mec B
Mesoscale modeling of failure in partially sintered metals and
homogenization to macroscale
N. Durr 170
Session mec E
XVI
Interaction Between Grain Boundaries and Dislocations: Towards a
Cohesive Law for Discrete Dislocation Dynamics
S. Echeverri Restrepo 174
Session mec B
Non-Uniqueness in Energy Minimization ofAtomistic and
Multiscale Problems: A Branch-Following and Bifurcation
Investigation
R.S. Elliott 175
Session mec B
Influence of interatomic potential on the atomistic fracture in iron
CH.Ersland 176
Session mec P
Cohesive zone model for intergranular slow crack growth in
ceramics: influence ofthe process and the microstructure
R. Estevez 170
Session mec I
Influence of texture evolution on the plastic deformation of
commercial sheet steels under bi-axial loading conditions
G. Falkinger 179
Session mec P
Assessment of Interfaces in Electronic Packages using a
Combination ofMolecular Dynamics and Fracture Mechanics
T.Fellner 180
Session mec I
Construction of Cauchy and polar equivalent continua from discrete
homogenization techniques. Application to foams and biologicalmembranes
/. Ganghoffer 184
Session mec P
Molecular Dynamics Simulations ofthe Deformation of
Nanotwinned CopperN. Ghoniem las
Session mec B
A 3D Atomistic-Continuum Foliation Model For Multiwalled Carbon
Nanotubes
£ Ghosh 189
Session mec P
Coarse implicit time integration ofa cellular scale particle modelfor plant tissue deformation
P. Ghysels 190
Session biomec G2
XVII
Multiscale approach of interaction between hydrogen and plasticityin AA 5083. Experimental and numerical investigationsA. Gourgues-Lorenzon 191
Session mec Fl
A continuum approach applied to a strongly confined Lennard-
Jones fluid.
R.Hartkamp 195
Session mec P
Atomic-scale simulations of extended defects in strontium titanate
P. Hirel 199
Session mec C2
Computational Multiscale Mechanics of Inelastic Cohesive
Interfaces with Size Effects
B. Hirschberger 200
Session mec I
Dislocation fluxes and line length changes in averaged descriptionsof dislocations
T. Hochrainer 201
Session mec V2
Multiscale Modeling of Nanocrystalline Pillars
D. Hurtado 202
Structure-Property Relations Based on Non-Equilibrium Statistical
Mechanics
M. Htitter 203
Session mec Gl
Inverse Analysis Applied to the Investigation of CompositeMaterials
S. llic 212
Session mec K
Effect of phosphorus impurities on grain boundary-relatedplasticity ofnanocrystalline bcc-Fe using molecular dynamicssimulation
f.Jeon 213
Session mecmod M
Deformation Behaviors of Nanocrystalline BCC-Fe DuringCompressive Loading Using Molecular Dynamics Simulation
J.Jeon 214
Session mecP
XVIII
Atomistic modeling of strength and stability in nano-twinnedstructures in fee metals
Y. Kulkarni 215
Session mec H
Deformation of gold nanowires: elongation mechanisms, electronic
structure, and quantum conductance
I. Levlne ...216
Session mec C2
Solutions to the periodic Eshelby inclusion problem in two
dimensions
I. Liu 217
Session mec P
Discrete dislocation study of the effect of grain boundaries on the
plastic deformation of bicrystals
X.liu 218
Session mec CI
Micromechanics of polypropylene non-woven felts: experimentalcharacterization and numerical modelling
/. LLorca Martinez 220
Session mec Gl
Rejuvenation and Confinement Effects in Polymer Glassy Dynamics
A. Lyulin 222
Session biomec G2
Combining ab initio calculations and classical concepts in solid
solution strengtheningD. Ma 226
Session mecmod L
A Micromeclianical Numerical Analysis for Triaxial Compression of
Granular Materials
V. Magnanimo 227
Session mec P
"Driving forces" for moving strip boundaries with transformation
strains
X. Markenscoff 229
Session mec H
Microstructurally motivated grain boundary model for strain
gradient crystal plasticity
G.McShane 233
Session mec F2
XIX
Multiscale simulation of the curing of particle-filled polymers
/. Mergheim 234
Session mec Gl
Multiscale Modelling of Nano Tensile Tests for different Cu-
Precipitation States in Fe
D.Molnar 235
Session mecmod M
Quantum-accurate multiscale modelling of stress corrosion: the
origin ofhydrogen-induced nm-smooth cleavage of silicon crystals
G.Moras 240
Session mec D
Plastic Deformation of Gold Microparticles on a Sapphire Substrate
D. Mordehai 241
Session mec P
Influence of Initial Dislocation Structure and Boundary Conditions
on Micro Tensile Tests Studied by 3-D Discrete Dislocation
Dynamics
C.Motz 242
Session mec CI
Imperfection and size dependent fracture of thin metallic films
T.Pardoen 243
Session mec E
Micro and meso analysis of two-dimensional dislocation pile-up
R. Peerlings 244
Session mec F2
Atomistic simulations of cross-slip nucleation at screw dislocation
intersections in FCC Ni and Cu
S.Rao 245
Session mecB
Coupled Micro-Macro-Scale Finite-Element-Simulation Of
Mechanically Induced Residual Stresses
B. Regener 246
Session mec K
Multiscale Model ofDeformation Twinning in Tantalum
O.Richards 247
Session mecmod L
First-principles study ofsuperhard SiNx /TiN nanocompositesP. Rodziewicz 248
Session mec P
XX
Stability and mobility ofhydrogen in the vicinity of point and
extended defects in bcc-Fe
/. Rogal 249
Session mec Fl
A 3D multiscale framework for computing the deformation and
adhesion of gecko setae
R.A. Saner 250
Session biomec G2
Parameter Identification over Multiple Length Scales
V.Schmidt 251
Session mec P
A finite element implementation ofa polycrystalline materialbased on the viscoplastic self-consistent model
/. Segurado Escudero 255
Session mec K
Void growth in polycrystals using 2D dislocation dynamics
/. Segurado Escudero 256
Session mec CI
Dislocation microstructure evolution in cyclically twisted micro
samples simulated with discrete dislocation dynamics techniques
J.Senger 257
Session mec CI
Multiscale Modeling of Polycrystal Deformation with Grain
Boundary SlidingA. Shaban Z5G
Session mec I
Flexoelectricity in Nanostructures
P.Sharma 259
Session mec C2
Discrete dislocation dynamics modeling ofscrew dislocations in bcc
metals: linking local atomistic information to the mesoscale
K. Srivastava 200
Session mec P
Dislocation Dynamics Model for the Loss of Interface CoherencyD.Srolovitz 261
Session mec I
Effect of atomistic surface steps on the brittle to ductile transition
ofsilicon
C. Thaulow 262
Session mec D
XXI
Discrete and continuum micromechanical models of
transformation-induced plasticity in multiphase steels
S. Turteltaub 266
Session mec II
Quasicontinuum simulation of mixed mode fracture in bcc-Fe
I. Vatne 267
Session mec P
Strength of single crystal superalloys: from dislocation dynamicssimulations to continuum micromechanics
A. Vattre 271
Session mec F2
Micromechanics Based Failure Predictions of Fibre Reinforced
Composites
T. Vaughan 272
Session mec K
Dislocation loops in nanocrystalline metals
M.A. Velasco Sanchez 276
Session mec P
Dislocation Dynamics and Plasticity in Micro-Pillars and Thin Films
C. Wei 277
Session mec A
A Numerical and Experimental Analysis of the Competitionbetween Transgranular and Intergranular Fracture in Rolled
Tungsten
S. Weygand 278
Session mec Fl
Self-multiplication of Dislocation under High Strain Rate
Deformation
D. Xu 279
Session mec P
A Calculation Approach Considering the Shape and ArrangementEffects of the Spherical Inhomogenity on the Elastic Constants
5. Yilmaz 280
Session mec P
Modeling the transition from toughening to embrittlement by grainboundaries in tungsten
X.Zeng 282
Session mec P
Chemomechanics ofNanoparticle Uptake by Living Cells
S, Zhang 283
XXII
Twist grain boundary migration by molecular-dynamics simulation
J.Zhou 284
Session mec P
Nanomechanics ofPlasticity in Ultra-Strength Materials
T.Zhu 285
Session mec C2
Continuum model for the long-range elastic interaction on stepped
epitaxial surfaces in 2+1 dimensions
X.Zhu 286
Session mec P
Multi-scale simulations of solidifying foams.
G.Zikos 287
Session mecmod i
2D and 3D Stress Fields Analysis Based on Direct Mapping ofthe
Dual-Scale Porous Network of Plasma-Sprayed Tungsten
A.Zivelonghi 281)
Session mec P
The mechanism ofplastic deformation localization in metals
L. Zuev 289
Session mec P
XXIII
Symposium
Statistical Approaches
Complexity in materials deformation
M.Alava 295
Session stat G
Damage and dissipation mechanisms in the dynamic fracture of
brittle amorphous materials: Velocity driven transition from
nominally brittle to quasi-brittleD. Bonamy 296
Session statK
Stress Corrosion Fracture ofSilicate Glasses: How Far Can Water
Penetrate?
E. Bouchaud 297
Session statK
Morphological aspects and deterministic reconstruction of
dynamical fracture surfaces in brittle materials
D.Dalmas 298
Session statK
Statistics of Internal Stress of Dynamical Dislocation Ensembles
J.Deng 299
Session statL
Intermittent Flow in Microcrystal Plasticity
D.Dimiduk 300
Session statH
On the role of short-range vs. long-range spatial correlations in
dislocation patterningC. Fressengeas 301
Session stat I
Accurate description of elastic properties ofrandom alloys with
minimum supercell sizes
M.Friak 302
Session stat P
Statistical properties ofthe plastic response of submicron size
specimen
1. Groma 303
Session stat I
Toward a continuum theory of dislocations
/. Groma 304
Session stat P
XXIV
Slip avalanches in a fiber bundle model
F. Kun 306
Session stat G
Dynamical correlation near dislocation jammingL. Laurson 307
Session stat!
Statistical Distributions of Stresses within Plastically Deformed
Copper: Models, Simulations and Microbeam X-ray Measurements
L. Levine 308
Session stat L
A vortex crystal that flows like a liquid: Grain-boundary scars in
flat geometry
M.C.Miguel 309
Session statG
Statistical Modeling of Elastic Strain, Lattice Rotation and
Dislocation Density Tensor in FCC Crystals
M.Mohamed 310
Session stat L
Yield and scale-invariance in plastic flow ofsub-microscale
crystalline materials
P. Moretti 314
Session stat H
Fracture of disordered fuse networks with quenched plasticity
P.Nukala 315
Session stat K
Latest advances in the development of the Adaptive Resolution
Scheme
S.Poblete 316
Session stat P
From an atomistic to a path integral representation of molecules in
adaptive simulation
A. Poma 317
Session statM
A three-dimensional Continuum Theory of Dislocations - Modellingand Application to a Composite
S.Sandfeld 311)
Sessionstat L
XXV
Micro-structure Evolution under torsional loading in SingleCrystals: a Comparative Study of Discrete and Continuous
Dislocation Simulations
S.Sandfeld 320
Session stat P
Ordering Icosahedral Network System in Relaxation Process of
Amorphous Metals
Y.Shibutani 321
Session stat M
Effective Coefficients of Quasi-Stationary Maxwell's Equations with
Multiscale Isotropic Random Conductivity
O.SoboIeva 328
Session stat M
Coupled continuum theory of dislocations and solute atoms
F.Szekely 332
Session stat L
A scaling theory for size effects and strain bursts in microplasticity
S.Zapperi 333
Session stat II
XXVI
Symposium
Microstructure Modelling
Computing the phase diagram of the FeCr binary alloy by path-sampling simulation
G.Adjanor 337
Session modLZ
Computational Modeling of the Sintering Process in Thermal
Barrier Coating Systems
K.Ahmed 338
Session mod 11
Atomic Mechanisms of Structural and SuperstructuralTransformations in CuAul AlloyA. Potekaev 342
Session mod P
The Effects of Thermoactivated Atomic Reconstruction Near Planar
Defects in the Ordered Superstructures L12 and L10
A. Potekaev 346
Session mod P
The Peculiarities of Structural Reconstruction of Nanofibers of L12
Superstructure Alloys Containing Long-Periodic APB in the Process
of High-Velocity Tension Deformation
A. Potekaev 347
Session mod P
Influence of oxygen on the fracture of tungsten
/. Almanstbtter 351
Session mod P
Efficiency study of metal foams for heat storage and heat exchange
A. August 355
Session mod P
Dynamics ofDiffusion-controlled Dislocation Loop Coarsening in
FCC CrystalsB. Bako 359
Session mod C
Multiscale analysis of deformation and fracture in coated material
under dynamic loading. Numerical simulation
R.Balokhonov 360
Session mod P
XXVII
Abnormal grain growth in electrical steels: a thorough simulation
studyL. Barrales-Mora 364
Session mudA2
Numerical Determination of Effective Material Properties of Porous
media
J.Becker 365
Session mod 12
Strengthening and formation nano-composites in diamond-like
amorphous carbon
A. Belov 369
Session mod Bl
Level Set framework for the numerical modelling of
microstructural evolutions in metals
M. Bernacki 370
Evaluation of Texture Models for Deformation and
Recrystallization Applied to AA6016
C Bollmann 372
Session mod D
The interaction ofscrew and edge dislocations with Cr precipitatesin FeCr alloy: An atomistic study
G. Bonny 376
Session mod Bl
Stress Intensity Factors for Cracks in Pore Chanels Structures
A. Borovik 377
Session mod P
Comparison of two Recrystallization Models within a TPM-
Framework for Sheet Production
T. Briiggemann 378
Session mod P
Coupled Crystal Plasticity-Phase Field Formulation to Describe the
Microstructural Evolution in Polycrystalline Aggregates DuringThermal RecrystalisationE. Busso 379
Session mod B2
Dislocation Junction formation and strength in hep metals
L. Capolungo 380
Session mod F
Multiscale modelling of magnetisation structures and dynamicsK. Chantrell 381
XXVIII
Formation and evolution of dislocation wall structures: Grain
boundaries, cell walls, and self-similarityW.Choi 382
Session mod 12
Morphologies during Nucleation in Al-Si binary alloys and Growth
in Ternary Eutectic Systems
A. Choudhury 383
Session mod P
Investigation and modeling of the material behavior due to
evolving dislocation microstructures in fee and bec metals
T. Clausmeyer 384
Session mod 12
Atomistic kinetic Monte Carlo simulation of Iron Chromium phasedecomposition parameterised on ab initio calculations
D. Costa 388
Session mod LI
Temporal Coarse Graining in Dislocation Dynamics
J.Deng 389
Session mod C
Porous Media Microstructure Reconstruction Using Pixel-based
and Object-based Simulated Annealing - Comparison with Other
Reconstruction Methods
A. Diogenes 393
Session mod P
Optimizing of mechanical properties of nanometals
R.Dobosz 396
Session mod Kl
Decohesion and buckling ofthin films on substrates: a molecular
dynamics approachJ.Durinck 397
Session mod Bl
Atomistic study of grain size effect on elastic moduli in
nanocrystalline tungsten
J.Durinck 398
Session modAl
Calculation of the Peierls stress from atomistic simulations for bec
tungsten: screw vs. edge dislocations
B. Eberhard 399
Session modAl
XXIX
Validation of phenomenological and dislocation-based constitutive
laws for crystal plasticity of hexagonal Ti
P.Eisenlohr 403
Session mod K2
Response of a 111 Asymmetric Tilt Grain Boundary in Copper to an
Applied Shear Stress at Finite Temperatures
S.Fensin 404
Session mod H
Multiscale modeling oftexture and plastic anisotropy in a cup
drawing process
/. Gawad 405
Session mod K2
Strain gradient crystal plasticity for miniaturization and
microstructures with interfaces
M. Geevs 406
Session mod K2
Modelling the effect of the stress field of dislocations on carbon
diffusion in BCC iron
R. Gomes de Aguiar Veiga 407
Session mod 12
Numerical Analysis of the Indentation Size Effect Using a Strain
Gradient Crystal Plasticity Model
D. Gonzalez 408
Session mecmod M
Simulation of diffusion processes in yttria tetragonal zirconia
polycrystalsR.L. Gonzalez-Romero 412
Session mod P
Growth and melting kinetics in NiZr alloy: linking phase-field
modeling to molecular dynamics simulations
M. Guerdane 413
Session mod M
Predicting the Flow Stress Variation of 304 Stainless Steel duringHot Deformation Considering Grain Size Effect
M.H.Parsa 417
Session mod P
Atomistic calculations ofthe elastic properties of Cu/Cu-oxide
planar interfaces
A. Hallil 421
Session mod H
XXX
Analytic Bond-Order Potentials for Modelling Topologically Close-
Packed Phases in Transition Metals
T. Hammerschmidt
Session mod II
Dislocation Density Vector Representation of Dislocation DynamicsSimulations
C. Hartley
Session mod P
Cr segregation at tilt grain boundaries in Fe-Cr alloys modeled at
atomic scale level
X. He
Session mod P
Effects ofTilt Grain Boundary Property on Grain Growth usingMulti-Phase-Field Model
T. Hirouchi
Session mod B2
Modeling of Micromechanical Deformation Systems ofMagnesiumbased on Incremental Energy Minimization
M. Homayonifar
Session mod 12
Modeling mechanical behavior of geomaterials by the extended
finite-element method
D. Hoxlw
Session mod C
The solubility ofcarbon in bcc iron under volumetric strain:
comparison of DFT and semi-empirical methods
E. Hristova
Session mod Kl
Modeling the evolution ofsubgrain structure during recovery and
creep by discrete dislocation dynamics
P.D. IspAnovitySession mod P
Efficient calculation of long range magnetic interaction fields in a
phase-field model for MSM alloys
M.Jainta
Session mod G
Numerical study of convection-induced peritectic macro-
segregation effect at the directional counter-gravity solidification
of Ti-46Al-8Nb intermetallic alloy
A. KartavykhSession mod P
XXXI
Microstructure formation and hysteresis in shape memory alloys
O. Kastner 446
Session mod P
Application of crystal plasticity to modeling the deformation
behavior ofsheet metal mesocrystalsB. Khisemann 447
Session mod F
Signed dislocation densities and their spatial gradients as basis for
a non-local crystal plasticity model
CKords 451
Session mod P
A Multi-scale Model of Martensite Transformation Plasticity in
Metastable Austenitic Steels
V. Kouznetsova 452
Session mod F
Modelling of cold rolling texture formation in ferritic-austenitic
steel using self-consistent viscoplastic model and finite element
method
M. Kowalski 453
Session mod P
Microstructure Modeling on the Basis ofthe Phase-Field Method
T. Koyama 457
Session mod E
Modelling the microstructure evolution ofa ferritic hot work tool
steel during short-term creep
F. Krumphals 458
Session mod P
Dynamics and Kinetics of Dislocations in Metals under Dynamic
LoadingA. Kuksin 462
Session mod P
Molecular Dynamics Simulation: A Powerful Tool for EngineeringCondensed Matter
T. Koddermann 463
Session mod P
Calculation of Solid-Liquid Interfacial Free Energies from Atomistic
Computer Simulation
B. Laird 464
Session mod H
XXXII
Plumber's Wonderland Found on Graphene
J.Li 468
Session mod M
A molecular dynamics simulation of the strength ofcementite Fe3C
and aFe/Fe3C pearlitic lamellae
A. luque 469
Session mod Al
Grain-Boundary Shear-Coupled Migration Affected ByIntergranular Nanocracks
A. Luque 473
Session mod H
Simulation ofthe Deformation and Failure Behavior of Bronze
Particle Filled PTFE CompoundsZ. Major 477
Session mod P
Laue diffraction spots obtained from 3D dislocation dynamic
simulations
J. Martinez Garcia 481
Session modC
Reconstruction of dislocations in interface layer Cu-A1203
M. Mazdziarz 482
Session mod H
Grain boundary energies for cubic-Zr02 bicrystals
Melendez 486
Session mod P
Atomic-discrete simulation ofcrystal state ofalloys ofa complexchemical composition
M.A. Baranov 487
Session mod L2
Comparative study of fatigue crack behavior in experimental and
computational methods
S. Miyazaki 491
Session mecmod M
Modelling the kinetics of annealing - a case offreestyle racing
V.Mohles 495
Session madA2
Modelling of the Microstructure of Sintered Ceramics for Finite
Element Simulations of their Electrical Properties
T.MuIler 496
Session mod D
XXXIII
Simulation of Yielding Behavior in Polycrystalline Materials by the
X-FEM
Y.Nakasone 497
Session mod P
Computationally driven design ofinnovative cement-based
materials - a multiscale approach on calcium leachingC. Neuen 498
Session mod L2
The Excitation of Oscillation Modes Localized on an Interstitial
Atom in 2-D Crystal
N. N. Medvedev 499
Session mod P
Atomic-Scale Study ofNanoindentation in Iron and Copper
Y. Osetskiy 503
Session mod Al
Continuum theory of dislocations: finite element simulations of
microstructure evolution during micro indentation
G.Po 504
Session mod F
Atomically-Constrained Network Dislocation Dynamics
G.Po 505
Session mod C
Status of atomic-level simulations of solid phase epitaxialrecrystallization of amorphous Si
M.Posselt 509
Session mod M
Multiphysics multiscale effects in two laterally coupled AIN/GaNquantum dots with wetting layer
S.Prabhakar 510
Session mod E
Modeling of Ti-6A1-4CVAlloy by Artificial Neural Networks
N.S.Reddy 512
Session mod P
Multiscale Modeling of Microstructure and Microstructural
Evolution
A. Rollett 514
Session mod 11
Multiscale Simulation of Deformation Processes in Welded Steel
Specimens
V, Romanova 523
XXXIV
Multi phase cellular automaton simulation of the heat treatment of
dual phase steel
F. Roters 527
Session mod M
Hybrid Simulation between Microscopic and Macroscopic Particle
Methods: Application to Deformation and Fracture of Solid Material
K. Saitoh 528
Session mod Bl
Molecular Dynamic Simulation of Crack Tip Propagation in Single
Crystal FCC Metals Under Uniaxial Tension
A.H. Salahshoor 529
Session mod P
Atomistic Simulation of Solid-Solid Phase Transformations In Fe
Nanowires Using Molecular Dynamics
A.H. Salahshoor 530
Session mod P
Transformation Induced Plasticity Modelling Based on
Micromechanical ApproachesB. Schmaling 532
Session mod K2
Atomistic simulation of xenon crystal growth via low-temperatureatom beam deposition (LT-ABD)
J.C. Schoen 536
Session mod P
Modeling Microstructure and Texture Evolution during
Recrystallization considering Precipitation Effects
C. Schafer, 540
Session mod B2
Homogenized Elasticity of Martensitic Microstructures
H. Seiner 5<1 (i
Session mod P
Grain growth modelling: a direct comparison ofvertex model with
phase-field model results
M.Selzer 550
Session mod B2
Designing Lighter Ti Alloys using First-principles Computational
ApproachD. Shlh 551
Session mod 11
XXXV
Comparison ofCellular Automata and Phase Field Methods for
Modeling ofAnnealing
B.Singh 552
Session modA2
Modeling and experimental investigation of microstructure,residual stresses and monotonic deformation behavior of
aluminum matrix compositesM. Smaga 556
Session mod 12
Influence ofplastic effects on the kinetics ofphase transitions
R.Spatschek S57
Session
Atomistic Simulation of Laser Ablation of Gold
S.Starikov 558
Session mod LI
Influence of mechanical stresses on grain growth mechanisms in
nanocrystalline materials
l.Steinbach 562
Session mod B2
Comparing grain growth experiments and simulations of SrTi03
specimen in three dimensions
M.Syha 563
Session mod A2
Three dimensional Reconstruction ofPEFC Catalyst Layers
£ Thiele 564
Session mod P
Relaxed grain cluster (RGC) scheme polycrystallinehomogenizationD. Tjahjanto 568
Session mod P
Ab initio modeling to improve oxygen tolerance of Ti alloysD. Trinkle 569
Session mod II
First-principles calculation of dislocation/solute interactions and
modeling of strength in Mg
D. Trinkle 570
Session mod Kl
Fe-Cr alloys by first-principle calculations and synchrotron x-raymeasurements.
A Uldiy 571
XXXVI
Kinetics of Al-Au Wirebonds: Phenomenological Model and First-
Principles Investigation
CM. Ulrich 572
Session mod M
Atomistic Models for Variable Oxidation States
5. Valone 573
Session mod 11
Multiscale Description of the Domain Wall Motion
E.Y. Vedmedenko S74
Session mod G
Multipolar Approach for Large-Scale Simulations of MagneticArrays
E.Y. Vedmedenko 575
Session mod G
Phase-field modeling of the columnar-to-equiaxed transition in
AlSi7 alloy solidification
A. Viardin 576
Session mod E
3D atomistic modeling ofquasi-brittle microcrack propagation in
alpha-iron
P. Vladimirov 577
Session mod Al
Sub grain formation in plastically deformed microstructures in the
combined simulation of rolling and annealing for static
recrystallization with the phase-field method
A. Vondrous 570
Session mod P
Effect of impurities on structural, cohesive, and magneticproperties of grain boundaries in a-Fe
E. Wachowicz 582
Session mod Kl
Formation of Stacking-Fault Tetrahedra in Selected Metals and in
TiAl by Annihilation of Edge Dislocations
H. Wang 583
Session mod Bl
Multiscale simulations of thermal stability of nanocrystalline iron
T. Wejrzanowski 587
Session mod D
xxxvri
An integrated approach for cellular materials: Phase-field
modelling of foam evolution and processing
F. Wendler 588
Session mod E
Simulation ofabnormal grain growth in two and three dimensional
grain structures
D. Weygand 589
Session mod D
Multiscale simulations of atomic ordering in nano-layered FePt
/. Wrobel 590
Session mod 11
The Molecular dynamics simulation on the Evolution of
Deformation-Induced Nano-Crystallizaion in Metallic Glasses
N.Xianggui 591
Session mod P
Two-dimensional Real-valued Cellular Automata and Applicationsin Micro-structure Modelling
X.Xu 592
Session mod P
Crystal plasticity modeling and experiments to improve the
micromechanical understanding of single crystal y-TiAl and y-TiAlbased microstructures
CZambaldi 596
Session mod F
Study of eclecronic structure and conductivity ofliquid metallic
sodium under high pressure and temperature
P. Zhilyaev 597
Session mod P
XXXVIII
Symposium
Biological & Soft Materials
A 3D multiscale modelling ofcortical bone structure, using the
inverse identification method: Microfibril scale studyA. Barkaoui 601
Session bio P
The role ofmembrane viscosity in the dynamics offluid
membranes
M. Arroyo 602
Session bio D
Atomistic simulations at the interface between titanium surfaces
and the physiological environment
L. Colombi Ciacchi 603
Session bio F
Deriving fully dynamic coarse-grained models from Molecular
Dynamics
P. Espanol 604
Session bio A
Arthropod cuticle: a biological multi-functional composite used as
template for nano-to-macro-scale hierarchical modelingM. Friak 605
Session bio F
A New Approach to Modeling Biological Tissue at the Mesoscale:
Shockwave-Induced Rupture in Cell Structures
G. Ganzenmiiller 606
Session bio E
Formation and structure of lipid microdomains: Roles of
thermodynamics, non-equilibrium processes, and hydrodynamics
M.Haataja 607
Session bio D
Hemodynamics at the Mesoscale: a Coarse-Grained Lattice
Boltzmann-Molecular Dynamics Approach
J.Harting 60')
Session bio F
Towards molecularly derived constitutive equations for complexfluids via systematic coarse-graining procedure
P.Ilg 613
Session bio A
XXXIX
Adaptive Resolution Simulations: Towards Open Systems Molecular
Dynamics Simulations for Soft Matter
K.Kremer 617
Session bio A
Formation, structure and properties of amorphous carbon char
from polymer materials in extreme atmospheric reentyenvironments
/ Lawson 618
Session bio P
Simulating DNA nanostructures with a coarse-grained model
A. Louis 619
Session bio B
Self-Assembly of Charged Colloids and Viruses
E. Luijten 620
Session bin B
Prediction of Mechanical Response of Aligned Silver Nano-
Composites Using Hybrid Molecular Dynamics-Finite Element
Modeling
B. Mortazavi 621
Session hio P
Molecular-dynamics simulations ofoxidation effects on propertiesofpolystyrene surfaces
A. Muntean 623
Session bio F
Application of Polymeric Fluid Particle Simulation to EntangledPolymer Melts
T. Murashima 627
Session bio C
Multiscale approach for bone remodeling simulation based on
finite element and neural network computationR.Harnbli 631
Session biomec 02
Force generation by cells during expansion and retraction
U.Schwarz 635
Session bio E
Percolation in Polymer-Solvent SystemsA.Sikorski 636
Session bio P
Soft Biological Matter: Function through Structure.
C. Storm 637
XL
Simulating membrane defects and lipid flip-flopP. Tieleman 647
Session bio D
A combined Navier-Stokes-Cahn-Hilliard-Phase-Field-Crystal
approach to model bicontinuous interfacially jammed emulsions
A Voigt 657
Session bio F
Systematic solvent-free coarse-graining for quantitative
phospholipid bilayer simulations
Z. Wang 658
Session bio C
Multiscale Simulation for polymer melt flows in parallel platesS. Yasuda 659
Session bio C
A two-dimensional particle-based fluid membrane model: toward
the highest level of coarse-graining
S.Zhang 663
Session bio C
XLI
Symposium
Radiation Effects
PERFORM 60 - Prediction of the Effects of Radiation FOr Reactor
pressure vessel and in-vessel Materials using multi-scale modelling- 60 years foreseen plant lifetime
A. Al Mazouzi 667
Session rad P
Thermodynamics of nanoclusters in bcc-Fe containing copper,
nickel and vacancies
AT. Al-Motasem 668
Session rad E
In Situ TEM Study of Dynamic Behaviors of Nanoscale Defects:
Similarities and Differences between Experiments and Simulations
K. Arakawa 669
Session rad D
Diffusion studies on the A13U ordered compound applying Artificial
Intelligence tools
N. Barrios 670
Session rad P
Phase Stability of Metallic Nuclear Fuels: a Multi-scale Coupling of
Phase-field Modeling with CALPHAD and First-Principles
J, Belak 671
Session rad I
Kinetic lattice Monte Carlo simulations ofsolute atom cluster
formations based on ab initio calculations
K. Betsuyaku 672
Session rad P
Mobility of self-interstitial defects and small dislocation loops in
Fe-Cu-Ni alloys: model alloy for RPV steels
G. Bonny 673
Session rad is
On the atomic-scale design ofmetal-metal heterointerfaces for
radiation resistance
M. Demkowicz 674
Session rad C
Modeling of helium bubble growth in neutron irradiated boron
doped RAFM steels
CDethloff. 67S
Session rad L
XLII
The early evolution ofdamage in the Fe-Cr system
D. Diaz 679
Session rad K
Effect of P and C in model dilute Fe alloys under irradiation byatomic kinetic Monte Carlo
C. Domain 680
Session rod K
Coupled Microstructure and Microchemical Evolution in Irradiated
AlloysS. Dubey 681
Session rod I
A stochastic algorithm for simulating real-time dynamics of
interacting nano-defects in irradiated bcc metals
S. Dudarev 685
Session rad F
Screw dislocations in bcc transition metals: The Peierls barrier
problem and interatomic potentials
M. Gilbert 695
Session radI
Theory and Numerical Simulation ofDefect and Microstructure
Dynamics in Irradiated Oxides
T. Hochrainer 699
Session rad P
Radiation effects in nanoparticles
T.Jarvi 700
Session radG
Quantum Dynamics Study of Hydrogen Diffusion in Iron with
Lattice Defects
H. Kimizuka 701
Session rad H
Effect of external deformation on stability and migration propertiesof point defects in bcc iron
N.Kioussis 702
Session rad E
Cluster Expansion Model for Migration Energies and Vacancy-Mediated Diffusion in Fe-Cr AlloysM. Lavrentiev 70S
Session rad K
XLIII
The Origin ofCritical Slowing Down in Ferromagnetic Iron near the
Curie Temperature
P.W. Ma 707
Session rad F
Stochastic analysis of thermally activated dislocation processes
simulated by Molecular dynamics
G.Monnet 711
Session rad M
Coordinated Climb ofthe Dislocation Network under Irradiation
D.Mordehai 712
Session rad M
Damage Rate Dependence ofVoid Nucleation inW
K.Morishita 713
Session rad H
Kinetic Monte Carlo simulation of irradiation damage accumulation
with the elastic interaction between S1A loops and dislocations
K. Nakashima 714
Session rad F
From point defect jumps to diffusion models of irradiated alloys
M.Nastar 715
Session rad K
Hydrogen trapping into a single vacancy in tungsten
K. Ohsawa 716
Session rad H
Ab initio study ofpoint defect dynamics: defect clusters and
threshold displacement energies in bccFe
P. Olsson 717
Session rad E
Atomic-scale Modelling ofDislocation-Obstacle Interactions in
Irradiated Metals
Y. Osetskiy 718
Session rad M
Simulation Studies ofDiffusion Behavior in Al/U interfaces
M.I. Pascuet 719
Session rad G
Phase Field Modeling of Void Swelling in Irradiated Metals
5. Rokkam 723
Session rad L
XLIV
Stress Effects in Defect and Microstructure Evolution under
Irradiation
S. Rokkam 727
Session rad P
Elastic Representation of Radiation-Induced Defects with Force
Multipoles
D.Seif 728
Session rad L
Stochastic effects on microstructure nucleation under cascade-
damage irradiation
A. Semenov 732
Session rad H
Structure of Self-Interstitial Atom Clusters in Iron and Copper: A
Hybrid Ab-initio Contiuum Determination
A. Takahashi 733
Session radE
Influence of lattice vibrations on the nucleation free energy of
copper-vacancy clusters in bcc-Fe
M. Talati 737
Session rad P
Atomistic simulations of solid solution hardening in Fe-Cr alloys
D. Terentyev 738
Session rad P
Interaction of Carbon with vacancy and interstitial clusters in a-Fe:
an atomistic study
D. Terentyev 739
Session rad D
Multiscale Modeling of Materials Response to Irradiation
M. Tonks 740
Atomistic simulations of strain localization in irradiated
polycrystalline metals
T. Tsuru 741
Session rad M
Radiation Damage Production and Evolution near Grain
Boundaries in Cu
B. P. Uberuaga 742
Session rad G
Multiscale study ofsmall self-interstitial clusters in beryllium
P. Vladimirov 743
Session rad D
XLV
Formation of self-interstitial atom clusters in cubic silicon carbide
during irradiation
Y. Walanabe 747
Session rod I
Magnetic Effect on Vacancy Diffusion in BCC Iron
T.H. Wen 7S1
Session rad F
Multi-scale Modeling of Nuclear Fuel
D. Wolf. 7S5
Session rail I
Grain boundary configurations and thermodynamic equilibrium
state of low Cr Fe-Cr alloys studied ab initio and by MetropolisMonte Carlo simulations
EZhurkin 756
Session rail G
XLVI
Symposium
Multifunctional Materials
Low-voltage, high-mobility transparent oxide transistors fabricated
by spray coating
G. Adamopoulos 763
Session mult I
Martensitic transformation and thermoelasticity in copper based
shape memory alloys
O.Acliguzel 764
Session mult A
Ab-initio thermodynamic calculations of substitutional impuritiesat planar defects in Aluminum
J.Albina 768
Session mult K
Creep in ferroelectric ceramics: mechanisms and modelingA. Belov 769
Session mult B
Performances of a Multifunctional Hollow Sphere-based Foam for
Applications at High Temperature
C. Davoine 770
Session mult B
Finite size effects in oxide nanoparticles: On the origin of lattice
expansion and contraction
M.Diehm 771
Session mult F
Multiscale Material Modelling for Li-Ion Batteries
T.Eckl 772
Session multK
Multifunctional oxides - The influence of defects on the ferroic
properties
S. Gemming 773
Session mult I
First Principles Determination ofPhase Transitions in MagneticShape Memory Alloys
T. Hickel 774
Session mult A
Interface investigations ofTiN with Si3N4, Si and Ti overlayers
using AR-XPS
D.Jaeger 775
Session multE
XLVII
Electronic structure and transport properties oftransition-
metaI/SrTi03(100) heterojunctions
E.M. Kalivoda 777
Session mult D
A Bond-Order Potential for Silicon Carbide
P. Kamenski 781
Session mult E
Anomalous Spin Transport in Magnetic Tunnel Junctions and
Graphene NanopatchesN.Kioussis 782
Session mult D
Modeling materials with optimized transport propertiesP.Kratzer 783
Session mult K
Micromechanical modeling of ferroelectric bulk materials in the
context of a multiscale simulation chain
L. Kunz 793
Session multH
Ab-initio study of Cu and Fe doping in the lead-free ferroelectric
perovskite potassium sodium niobate
S.Kdrbe! 794
Session mult C
Tight Binding Models from LCAO
G. Madsen 795
Session mult F
Comparison ofthe Deformation Behavior of Digital Materials usingFull-field Strain Analysis and Micromechanical Modeling
Z. Major 796
Session mult B
Development and application of tight-binding potentials for Ti-C
and Ti-N systems
Eft. Margine 800
Session multE
First-principles study of ferroelectric lead zirconate titanate for
development of a multi-scale simulation chain
P. Marton 801
Session multH
Multiscale Modeling of Structure and Electronic Transport in
Multifunctional Materials
R. Maul 802
XLVin
Tight-binding modelling ofiron and steel
E.McEniry 803
Session mult F
From DFT to Tight-Binding by Utilizing an Optimized Minimal Basis
B.Meyer 804
Session mult E
Bond-order potentials for transition metals and their compoundsM. Mrovec 805
Session mult F
Interaction ofH with vacancies in iron and steels: The combination
ofatomistic, thermodynamic and elastic effects
R. Nazarov 806
Session mult A
Engineering Domain Switching Dynamics in Ferroelectrics via
Electric Field Control - Investigation using 3D Phase Field Modeling
N.Ng 807
Session multB
Thermodynamics Modelling ofPlasticity: Relating MacroscopicBehaviour to Atomistics via Crystal Defects Control
P. Rivera Diaz dei Castillo 808
Session multA
On the Multiscale Modeling ofElectromechanically CoupledMaterials
J. Schroder 809
Session mult C
Using Density Functional Theory to Design New Materials. From
Nanoelectronics to the Origin of the Universe
N.Spaldin 818
Session mult C
Towards ab initio Device Design
M. van Schilfgaarde 819
Session multD
Micromechanical modeling of ferroelectric thin films within a
multiscale simulation chain
O. Vedmedenko 820
Session mult H
Phase field modeling for ferroelectric materials in the context of a
multiscale simulation chain
B. Voelker 821
Session multH
XLIX
Switching mechanisms and scaling potential of bipolar redox-based
memristive devices
R. Waser
Session mult 1
L
Symposium
Tribology
Low Friction Mechanisms of Solid Lubrication Film Formed by In-
situ Tribo-coatingK. Adachi 825
Session tribo P
Super-low Friction of Carbon-based Coatings in Inert Gas
K. Adachi B26
Session tribo D
Influence ofa sliding velocity dependent friction law on the coupledeffect offriction and surface roughness on shallow sphericalnanoindentation
P.Berke 827
Session tribo D
The influence of particle shape on granular lubrication
C.Bierwisch 831
Session tribo F
Compressible kinematic modeling of granular flow
C, Bierwisch ,832
Session tribo P
From atomic membranes to molecular adsorbates: How interfacial
atomic structure influences nanotribology in carbon-based systems
R.W. Carpick 833
Session tribo K
Interface Friction in Carbon-Nanotube/Diamond Nanocomposites
W. Curtin 834
Session tribo G
In-Situ Observation of Metallic TribosystemsM. Dienwiebel 835
Session tribo C
Tribology of Diamond-Like Carbon coatings:multi-scale and multi-
physical processes
/. Fontaine 836
Session tribo H
Making and breaking ofatomic bonds in tribocontacts
P. Gumbsch 837
Session tribo I
LI
Smooth particle hydrodynamics for tribological applications
A. Haug 838
Session tribo P
Measuring the glass-transition temperature in thin atactic
polystyrene films: molecular dynamics approachD. Hudzinskyy 839
Session tribo P
Multiscale Computations - three examples in nanomechanics
S. lm 843
Session tribo C
Atomistic Investigation ofAsperity Contact: A study ofTwo
Configurations
Y.Jeng 844
Session tribo A
Dynamic Green's function approach for solid friction and contact-
size effect
S. Kajita 845
Session tribo D
Molecular dynamics simulations of microstructural evolution
during sliding interactions
5. Karthikeyan 846
Session tribo B
Is shear induced dispersion of carbon nanotubes in aluminum
matrices feasible?
A. Klemenz 847
Session tribo P
Quantum Chemical Molecular Dynamics Simulation on
Tribochemical Reaction Dynamics of Diamond-Like Carbon
M. Kubo 848
Session tribo H
Oxygen-induced degradation of carbynoid structures on carbon
surfaces: a DFT study
G. Moras 849
Session tribo F
Modeling of self-sharpening knifes using the Discrete Element
Method
N. Molders 850
Session tribo I
LII
From electronic DFT to continuum mechanics descriptions of
sliding contacts
M. Milser 851
Session tribo F
A study ofchemical mechanical polishing on Ce02 nanocrystalsbased on classical and tight-binding quantum chemical molecular
dynamics simulations
N. Ozawa 852
Session tribo P
Atomistic insights into the running-in, lubrication, and failure of
hydrogenated diamond-like carbon coatings
L. Pastewka 853
Session tribo H
Molecular dynamics simulation ofgold solid film lubrication
L. Pastewka,
854
Session tribo P
Describing bond-breaking processes by reactive potentials:Importance ofan environment-dependent interaction range
L. Pastewka 855
Session tribo G
Large-scale molecular-dynamics simulations of the tribology of
nanoscale metallic asperities
]. Peguiron 856
Session tribo C
Heat transfer between elastic solids with randomly rough surfaces
B. Persson 857
Session tribo A
Nanotribology oflubricated carbon-based nanocoatingsM.Posseh 858
Session tribo P
Onset of frictional slip by domain nucleation in adsorbed layers
M.CRighi 859
Session tribo D
Surface chemistry and nanotribological properties of diamond
surfaces
M.CRighi 860
Session tribo F
Connecting atomistic and continuum models of contact area,
stiffness and friction in single and multi-asperity contacts
M.Robbins 861
Lin
Nanotribological Studies on Carbonic Interfaces Formed by
Graphene, Fullerene and Carbon Nanotube
N.Sasaki 862
Session Cribu G
Superlubricity ofC60 and C70 BearingsN.Sasaki 863
Session tribo P
Trends of Micro-scale Simulations in Tribology in Japan
N.Sasaki 864
Session tribo E
Nanoscale Wear in Materials Tribology
W.G.Sawyer 871
Session tribo I
Multiscale Aspects of Tribology
M. Scherge 872
Session tribo B
Tribology at the Nanoscale: Insights from Atomistic Simulations
S. Sinnott 873
Session tribo E
Atomistic Simulations of Tribology at Sliding MoS2 Surfaces
S. Sinnott 874
Session tribo P
Polymer Brushes and Lubrication
JV. Spencer 875
Session tribo E
Wear of Nanocrystalline Ceramics by Atomistic Simulations
I.Szlufarska 876
Session tribo K
Two-scale approach to the diffuse scattering ofvisible light from
rough surfaces
A. Vernes 877
Session tribo P
Multiresolution FEM-BEM contact mechanics
A. Vernes 878
Session tribo P
LIV