IUTAM Symposium on Modelling Nanomaterials and Nanosystems: Proceedings of the IUTAM Symposium held in Aalborg, Denmark, 19-22 May, 2008

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R. Pyrz, Jens C. Rauhe
Springer Science & Business Media, Dec 21, 2008 - Technology & Engineering - 342 pages
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Recent interest in nanotechnology is challenging the community to analyse, develop and design nanometer to micrometer-sized devices for applications in new generations of computer, electronics, photonics and drug delivery systems. To successfully design and fabricate novel nanomaterials and nanosystems, we must necessarily bridge the gap in our understanding of mechanical properties and processes at length scales ranging from 100 nanometers (where atomistic simulations are currently possible) to a micron (where continuum mechanics is experimentally validated). For this purpose the difficulties and complexity originate in the substantial differences in philosophy and viewpoints between conventional continuum mechanics and quantum theories. The challenge lies in how to establish the relationship between a continuum mechanical system and its atomistic counterpart in order to define continuum variables that are calculable within an atomic system.

 

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Contents

From Atomic Bonds to Hyperelasticity with Softening
1
MultimillionAtom Molecular Dynamics Simulations
13
Multiscale Modelling of LayeredSilicatePET Nanocomposites during SolidState Processing
19
A Coupled DynamicsContinuum Approach
27
Multiscale Modeling of Amorphous Materials with Adaptivity
37
ThermodynamicallyConsistent Multiscale Constitutive Modeling of Glassy Polymer Materials
43
The Problem and a Possible Solution
52
DiscreteContinuum Transition in Modelling Nanomaterials
63
Elastic Fields in Quantum Dot Structures with Arbitrary Shapes and Interface Effects
180
Numerical Modelling of Nano Inclusions in Small and Large Deformations Using a LevelSetExtended Finite Element Method
191
ThermoElastic SizeDependent Properties of NanoComposites with Imperfect Interfaces
200
Modeling the Stress Transfer between Carbon Nanotubes and a Polymer Matrix during Cyclic Deformation
210
Atomistic Studies of the Elastic Properties of Metallic BCC Nanowires and Films
221
Advanced ContinuumAtomistic Model of Materials Based on Coupled Boundary Element and Molecular Approaches
231
Finite Element Modelling Clay Nanocomposites and Interface Effects on Mechanical Properties
241
Small Scale andor High Resolution Elasticity
249

Looking beyond Limitations of Diffraction Methods of Structural Analysis of Nanocrystalline Materials
75
Multiscale Modelling of Mechanical Anisotropy of Metals
89
Micromechanical Modeling of the Elastic Behavior of Multilayer Thin Films Comparison with In Situ Data from XRay Diffraction
99
Two Minimisation Approximations for Joining Carbon Nanostructures
109
On the Eigenfrequencies of an Ordered System of Nanoobjects
122
Monitoring of Molecule Adsorption and Stress Evolutions by Insitu Microcantilever Systems
133
Using Thermal Gradients for Actuation in the Nanoscale
141
Systematic Design of Metamaterials by Topology Optimization
151
Modeling of Indentation Damage in Single and Multilayer Coatings
161
Reverse HallPetch Effect in Ultra Nanocrystalline Diamond
171
Multiscale Molecular Modelling of Dispersion of Nanoparticles in Polymer Systems of Industrial Interest
261
StructuralScaling Transitions in Mesodefect Ensembles and Properties of Bulk Nanostructural Materials Modeling and Experimental Study
271
Modeling Electrospinning of Nanofibers
279
Use of Reptation Dynamics in Modelling Molecular Interphase in Polymer NanoComposite
293
Presentations without Paper
302
Scientific Programme
305
List of Participants
309
Colour Section
316
Author Index
339
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