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

ISBN-13: 9781402095566 / Angielski / Twarda / 2008 / 342 str.

Pyrz, R.

Opis

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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Spis treści

Preface; Multiscale Failure Modeling: From Atomic Bonds to Hyperelasticity with Softening, by K. I: Volokh; Crack Initiation, Kinking and Nanoscale Damage in Silica Glass: Multimillion-Atom Molecular Dynamics Simulation, by Y.C. Chen, K. Nomura, Z. Lu, R. Kalia, A. Nakano and P. Vashishta; Multiscale Modelling of Layered-Sficate/PET Nanocomposites during Solid-State Processing, by L.Figiel, F. P. E. Dunne and C.P Buckley; Modelling Transient Heat Conduction at Multiple Length and Time Scales: A Coupled Non-Equilibrium Molecular Dynamics/Continuum Approach, by K. Jolley and S. P. A. Gill; Multiscale Modeling of Amorphous Materials with Adaptivity, by V. B. C. Tan, M. Deng, T. E. Tay and K.M. Lim; Thermodynamically-Consistent Multiscale Constitutive Modeling of Glassy Polymer Materials, by P. K. Valavala and G. M. Odegard; Effective Wall Thickness of Single-Walled Carbon Nanotubes for Multiscale Analysis: The Problem and a Possible Solution, by L. C. Zhang and C. Y. Wang; Discrete-Continuum Transition in Modelling Nanomaterials, by R. Pyrz and B. Bochenek; Looking beyond Limitations of Diffraction Methods of Structural Analysis of Nanocrystalline Materials, by B. Palosz, E. Grzanka, S. Gierlotka, M. Wojdyr; W. Palosz, T. Proffen, R. Rich and S. Stelmakh; Multiscale Modelling of Mechanical Anisotropy of Metals, by G. Winther; Micromechanical Modeling of the Elastic Behavior of Multilayer Thin Films: Comparison with In Situ Data from X-Ray Diffraction, by G. Geandier, L. Gélébart, 0. Castelnau, E. Le Bourhis, P.-0. Renault, Ph. Goudeau and D. Thiaudière; Two Minimisation Approximations for Joining Carbon Nanostructures, by D. Baowan, B. J. Cox, N. Thamwattana and J.M. Hill; On the Eigenfrequencies of an Ordered System of Nanoobjects, by V. A. Eremeyev and H. Altenbach; Monitoring of Molecule Adsorption and Stress Evolutions by In-Situ Microcantilever Systems, by H. L. Duan, Y. Wang and X. Yi; Using Thermal Gradients for Actuation in the Nanoscale, by E.R.Hernández, R. Rurali, A. Barreiro, A. Bachtold, T. Takahashi,T. Yamamoto and K. Watanabe; Systematic Design of Metamaterials by Topology Optimization, by 0. Sigmund; Modeling of Indentation Damage in Single and Multilayer Coatings, by J. Chen and S. J. Bull; Reverse Hall-Petch Effect in Ultra Nanocrystalline Diamond, by Z.N. Remediakis, G. Kopidakis and P.C. Kelires; Elastic Fields in Quantum Dot Structures with Arbitrary Shapes and Interface Effects, by H. J. Chu, H. L. Duan, J. Wang and B. L. Karihaloo; Numerical Modelling of Nano Inclusions in Small and Large Deformations Using a Level-Set/Extended Finite Element Method, by J. Yvonnet, E. Monteiro, H. Le Quang and Q.-C. He; Thermo-Elastic Size-Dependent Properties of Nano-Composites with Imperfect Interfaces, by H.L. Duan, B.L. Karihaloo and J. Wang; Modeling the Stress Transfer between Carbon Nanotubes and a Polymer Matrix during Cyclic Deformation, by C.C. Kao and R. J. Young; Atomistic Studies of the Elastic Properties of Metallic BCC Nanowires and Films; P. A. T. Olsson and S. Melin; Advances Continuum-Atomistic Model of Materials Based on Coupled Boundary Element and Molecular Approaches, by T. Burczyriski, W Kui, A. Mrozek, R. Gbrski and G. Dziatkiewicz; Finite Element Modelling Clay Nanocomposites and Interface Effects on Mechanical Properties, by J.KH. Chia; Small Scale and/or High Resolution Elasticity, by I. Goldhirsch and C. Goldenberg; Multiscale Molecular Modelling of Dispersion of Nanoparticles in Polymer Systems of Industrial Interest, by M. Fermeglia and S. Pricl; Structural-Scaling Transitions in Mesodefect Ensembles and Properties of Bulk Nanostructural Materials. Modeling and Experimental Study, by O.B. Naimark and O.A. Plekhov; Modeling Electrospinning of Nanofibers, by T.A. Kowalewski, S. Barral and T. Kowalczyk; Use of Reptation Dynamics in Modelling Molecular Interphase in Polymer Nano-Composite, by J. Jancar; Appendix 1 : Presentations without Paper; Appendix 2: Scientific Program;

Blurb

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.

A major focus of the symposium is on modelling schemes, which allow for concurrent atomistic and continuum description of deformation and fracture of advanced materials. Contributions cover development and implementation of models and theories, which account for the full transition from an atomistic description to a continuum description, and vice versa, in a seamless manner. Particular attention is devoted to two approaches, namely, simultaneous (synchronous, direct) integration methods, where interacting simulation and modelling levels are simultaneously considered, and sequential (non-synchronous, indirect) integration methods, which consist of an appropriate transfer of parameters among calculations that are used sequentially. The distinction is made between methods which are discrete both at the atomic and continuum level and methods which embed statistics of the atomic level in the continuum level.