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Alloy design for mechanical properties: Conquering the length scales

Published online by Cambridge University Press:  09 April 2019

Irene J. Beyerlein ,
Shuozhi Xu ,
Javier Llorca ,
Jaafar A. El-Awady ,
Jaber R. Mianroodi  and
Bob Svendsen
Irene J. Beyerlein
Affiliation:
Department of Mechanical Engineering, Materials Department, University of California, Santa Barbara, USA; beyerlein@ucsb.edu
Shuozhi Xu
Affiliation:
California NanoSystems Institute, University of California, Santa Barbara, USA; shuozhixu@ucsb.edu
Javier Llorca
Affiliation:
IMDEA Materials Institute, and Department of Materials Science, Polytechnic University of Madrid, Spain; javier.llorca@imdea.org
Jaafar A. El-Awady
Affiliation:
Department of Mechanical Engineering, Whiting School of Engineering, Johns Hopkins University, USA; jelawady@jhu.edu
Jaber R. Mianroodi
Affiliation:
Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH; and Material Mechanics, RWTH Aachen University, Germany; j.mianroodi@mpie.de
Bob Svendsen
Affiliation:
Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH; and Material Mechanics, RWTH Aachen University, Germany; b.svensden@mpie.de
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Abstract

Predicting the structural response of advanced multiphase alloys and understanding the underlying microscopic mechanisms that are responsible for it are two critically important roles that modeling plays in alloy development. The demonstration of superior properties of an alloy, such as high strength, creep resistance, high ductility, and fracture toughness, is not sufficient to secure its use in widespread applications. Still, a good model is needed to take measurable alloy properties, such as microstructure and chemical composition, and forecast how the alloy will perform in specified mechanical deformation conditions, including temperature, time, and rate. Here, we highlight recent achievements using multiscale modeling in elucidating the coupled effects of alloying, microstructure, and mechanism dynamics on the mechanical properties of polycrystalline alloys. Much of the understanding gained by these efforts relies on the integration of computational tools that vary over many length scales and time scales, from first-principles density functional theory, atomistic simulation methods, dislocation and defect theory, micromechanics, phase-field modeling, single crystal plasticity, and polycrystalline plasticity.

Keywords

defectsdislocationsstructuralsimulationmicrostructure
Type
Computational Design And Development Of Alloys
Information
MRS Bulletin , Volume 44 , Issue 4: Computational design and development of alloys , April 2019 , pp. 257 - 265
Copyright
Copyright © Materials Research Society 2019 

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