Multiscale Materials Modeling

Approaches to Full Multiscaling

Siegfried Schmauder, Immanuel Schäfer

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English

De Gruyter
22 August 2016

Classical mechanics; Condensed matter physics (liquid state & solid state physics); Materials science; Engineering skills & trades

This book presents current spatial and temporal multiscaling approaches of materials modeling. Recent results demonstrate the deduction of macroscopic properties at the device and component level by simulating structures and materials sequentially on atomic, micro- and mesostructural scales. The book covers precipitation strengthening and fracture processes in metallic alloys, materials that exhibit ferroelectric and magnetoelectric properties as well as biological, metal-ceramic and polymer composites. The progress which has been achieved documents the current state of art in multiscale materials modelling (MMM) on the route to full multi-scaling.

Contents: Part I: Multi-time-scale and multi-length-scale simulations of precipitation and strengthening effects Linking nanoscale and macroscale Multiscale simulations on the coarsening of Cu-rich precipitates in α-Fe using kinetic Monte Carlo, Molecular Dynamics, and Phase-Field simulations Multiscale modeling predictions of age hardening curves in Al-Cu alloys Kinetic Monte Carlo modeling of shear-coupled motion of grain boundaries Product Properties of a two-phase magneto-electric composite Part II: Multiscale simulations of plastic deformation and fracture Niobium/alumina bicrystal interface fracture Atomistically informed crystal plasticity model for body-centred cubic iron FE2AT ・ finite element informed atomistic simulations Multiscale fatigue crack growth modeling for welded stiffened panels Molecular dynamics study on low temperature brittleness in tungsten single crystals Multi scale cellular automata and finite element based model for cold deformation and annealing of a ferritic-pearlitic microstructure Multiscale simulation of the mechanical behavior of nanoparticle-modified polyamide composites Part III: Multiscale simulations of biological and bio-inspired materials, bio-sensors and composites Multiscale Modeling of Nano-Biosensors Finite strain compressive behaviour of CNT/epoxy nanocomposites Peptide・zinc oxide interaction

Edited by: Siegfried Schmauder, Immanuel Schäfer
Imprint: De Gruyter
Country of Publication: Germany
Dimensions: Height: 240mm, Width: 170mm, Spine: 23mm
Weight: 715g
ISBN: 9783110412369
ISBN 10: 3110412365
Pages: 346
Publication Date: 22 August 2016
Recommended Age: College Graduate Student
Audience: Professional and scholarly , Undergraduate , Undergraduate
Format: Hardback
Publisher's Status: Active

Siegfried Schmauder, Universitat Stuttgart, Germany.

Reviews for Multiscale Materials Modeling: Approaches to Full Multiscaling

In most chapters, clear target properties which are important in recent industrial applications are shown and the modeling results are discussed with real experimental data. The enthusiasm of the computer scientists impressed me and gave recognition to the significance of multiscale modeling. [...] The combination of modeling methods with experimental approaches to atomic interaction, interface structure and electromagnetic characterization is expected to be actively pursued in the future. Yoshiaki Fukushima in: Journal of Applied Crystallography 51 (2018) http: //scripts.iucr.org/cgi-bin/paper?S1600576718001899