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.

State-of-the-art contributions in the field of modeling nanomaterials

Zusammenfassung
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).

Inhalt
Multiscale Failure Modeling: From Atomic Bonds to Hyperelasticity with Softening.- Crack Initiation, Kinking and Nanoscale Damage in Silica Glass: Multimillion-Atom Molecular Dynamics Simulations.- Multiscale Modelling of Layered-Silicate/PET Nanocomposites during Solid-State Processing.- Modelling Transient Heat Conduction at Multiple Length and Time Scales: A Coupled Non-Equilibrium Molecular Dynamics/Continuum Approach.- Multiscale Modeling of Amorphous Materials with Adaptivity.- Thermodynamically-Consistent Multiscale Constitutive Modeling of Glassy Polymer Materials.- Effective Wall Thickness of Single-Walled Carbon Nanotubes for Multi-Scale Analysis: The Problem and a Possible Solution.- Discrete-Continuum Transition in Modelling Nanomaterials.- Looking beyond Limitations of Diffraction Methods of Structural Analysis of Nanocrystalline Materials.- Multiscale Modelling of Mechanical Anisotropy of Metals.- Micromechanical Modeling of the Elastic Behavior of Multilayer Thin Films; Comparison with In Situ Data from X-Ray Diffraction.- Two Minimisation Approximations for Joining Carbon Nanostructures.- On the Eigenfrequencies of an Ordered System of Nanoobjects.- Monitoring of Molecule Adsorption and Stress Evolutions by In-situ Microcantilever Systems.- Using Thermal Gradients for Actuation in the Nanoscale.- Systematic Design of Metamaterials by Topology Optimization.- Modeling of Indentation Damage in Single and Multilayer Coatings.- Reverse HallPetch Effect in Ultra Nanocrystalline Diamond.- Elastic Fields in Quantum Dot Structures with Arbitrary Shapes and Interface Effects.- Numerical Modelling of Nano Inclusions in Small and Large Deformations Using a Level-Set/Extended Finite Element Method.- Thermo-Elastic Size-Dependent Properties of Nano-Composites withImperfect Interfaces.- Modeling the Stress Transfer between Carbon Nanotubes and a Polymer Matrix during Cyclic Deformation.- Atomistic Studies of the Elastic Properties of Metallic BCC Nanowires and Films.- Advanced Continuum-Atomistic Model of Materials Based on Coupled Boundary Element and Molecular Approaches.- Finite Element Modelling Clay Nanocomposites and Interface Effects on Mechanical Properties.- Small Scale and/or High Resolution Elasticity.- Multiscale Molecular Modelling of Dispersion of Nanoparticles in Polymer Systems of Industrial Interest.- Structural-Scaling Transitions in Mesodefect Ensembles and Properties of Bulk Nanostructural Materials Modeling and Experimental Study.- Modeling Electrospinning of Nanofibers.- Use of Reptation Dynamics in Modelling Molecular Interphase in Polymer Nano-Composite.