Multiscale materials modeling : approaches to full multiscaling / edited by Siegfried Schmauder and Immanuel Schäfer.

Format:

Book

Contributor:

Schmauder, Siegfried, editor.

Schäfer, Immanuel, editor.

Language:

English

Subjects (All):

Materials--Mathematical models.

Materials.

Materials--Computer simulation.

Multiscale modeling.

Physical Description:

1 online resource (346 p.)

Edition:

1st ed.

Place of Publication:

Berlin, Germany ; Boston, [Massachusetts] : De Gruyter, 2016.

Language Note:

In English.

Summary:

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 effectsLinking nanoscale and macroscaleMultiscale simulations on the coarsening of Cu-rich precipitates in α-Fe using kinetic Monte Carlo, Molecular Dynamics, and Phase-Field simulationsMultiscale modeling predictions of age hardening curves in Al-Cu alloysKinetic Monte Carlo modeling of shear-coupled motion of grain boundariesProduct Properties of a two-phase magneto-electric compositePart II: Multiscale simulations of plastic deformation and fractureNiobium/alumina bicrystal interface fractureAtomistically informed crystal plasticity model for body-centred cubic ironFE2AT ・ finite element informed atomistic simulationsMultiscale fatigue crack growth modeling for welded stiffened panelsMolecular dynamics study on low temperature brittleness in tungsten single crystalsMulti scale cellular automata and finite element based model for cold deformation and annealing of a ferritic-pearlitic microstructureMultiscale simulation of the mechanical behavior of nanoparticle-modified polyamide compositesPart III: Multiscale simulations of biological and bio-inspired materials, bio-sensors and compositesMultiscale Modeling of Nano-BiosensorsFinite strain compressive behaviour of CNT/epoxy nanocompositesPeptide・zinc oxide interaction

Contents:

Frontmatter

List of contributing authors

Preface

Contents

Part I: Multi-time-scale and multi-length-scale simulations of precipitation and strengthening effects

1. Linking nanoscale and macroscale / Kizler, P. / Uhlmann, D. / Schmauder, S.

2. Multiscale simulations on the coarsening of Cu-rich precipitates in α-Fe using kinetic Monte Carlo, Molecular Dynamics, and Phase-Field simulations / Molnar, D. / Mukherjee, R. / Choudhury, A. / Mora, A. / Binkele, P. / Selzer, M. / Nestler, B. / Schmauder, S.

3. Multiscale modeling predictions of age hardening curves in Al-Cu alloys / Singh, C. V.

4. Kinetic Monte Carlo modeling of shear-coupled motion of grain boundaries / Prieto-Depedro, M. / Martin-Bragado, I. / Segurado, J.

5. Product Properties of a two-phase magneto-electric composite / Labusch, M. / Etier, M. / Lupascu, D. / Schröder, J. / Keip, M.-A.

6. Coupled atomistic-continuum study of the effects of C atoms at α-Fe dislocation cores / Chockalingam, K. / Janisch, R. / Hartmaier, A.

Part II: Multiscale simulations of plastic deformation and fracture

7. Niobium/alumina bicrystal interface fracture / Siddiq, A. / Schmauder, S. / Rühle, M.

8. Atomistically informed crystal plasticity model for body-centred cubic iron / Koester, A. / Ma, A. / Hartmaier, A.

9. FE2AT - finite element informed atomistic simulations / Möller, J. J. / Prakash, A. / Bitzek, E.

10. Multiscale fatigue crack growth modelling for welded stiffened panels / Božić, Ž. / Schmauder, S. / Mlikota, M. / Hummel, M.

11. Molecular dynamics study on low temperature brittleness in tungsten single crystals / Furuya, Y. / Noguchi, H. / Schmauder, S.

12. Multi scale cellular automata and finite element based model for cold deformation and annealing of a ferritic-pearlitic microstructure / Madej, L. / Sitko, M. / Perzynski, K. / Sieradzki, L. / Radwanski, K. / Kuziak, R.

13. Multiscale simulation of the mechanical behavior of nanoparticle-modified polyamide composites / Wiedmaier, J. / Verestek, W. / Weber, U. / Schmauder, S.

Part III: Multiscale simulations of biological and bio-inspired materials, bio-sensors and composites

14. Multiscale Modeling of Nano-Biosensors / Chen, C.-S. / Shih, Y.-C. / Chou, C.-C. / Chang, S.-W. / Liou, C.

15. Finite strain compressive behaviour of CNT/epoxy nanocomposites / Weidt, D. / Figiel, Ł.

16. Peptide-zinc oxide interaction / Schäfer, I. / Lasko, G. / Do, T. A. / Pleiss, J. / Weber, U. / Schmauder, S.

Index

Notes:

Description based upon print version of record.

Includes bibliographical references at the end of each chapters and index.

Description based on print version record.

ISBN:

9783110412512

3110412519

9783110412451

3110412454

OCLC:

1029834189