Review of the Synergies Between Computational Modeling and Experimental Characterization of Materials Across Length Scales

With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many applications in the development, characterization and design of complex material systems. This manuscript provides a broad and comprehensive overview of recent trends where predictive modeling capabilities are developed in conjunction with experiments and advanced characterization to gain a greater insight into structure-properties relationships and study various physical phenomena and mechanisms. The focus of this review is on the intersections of multiscale materials experiments and modeling relevant to the materials mechanics community. After a general discussion on the perspective from various communities, the article focuses on the latest experimental and theoretical opportunities. Emphasis is given to the role of experiments in multiscale models, including insights into how computations can be used as discovery tools for materials engineering, rather than to "simply" support experimental work. This is illustrated by examples from several application areas on structural materials. This manuscript ends with a discussion on some problems and open scientific questions that are being explored in order to advance this relatively new field of research.Comment: 25 pages, 11 figures, review article accepted for publication in J. Mater. Sc

Direct Measurement of 2D and 3D Interprecipitate Distance Distributions from Atom-Probe Tomographic Reconstructions

Edge-to-edge interprecipitate distance distributions are critical for predicting precipitation strengthening of alloys and other physical phenomena. A method to calculate this 3D distance and the 2D interplanar distance from atom-probe tomographic data is presented. It is applied to nanometer-sized Cu-rich precipitates in an Fe-1.7 at.% Cu alloy. Experimental interprecipitate distance distributions are discussed

Best-Fit Ellipsoids of Atom-Probe Tomographic Data to Study Coalescence of Gamma Prime (L1_2) Precipitates in Ni-Al-Cr

An algorithm is presented to fit precipitates in atom probe tomographic data sets as equivalent ellipsoids. Unlike previous techniques, which measure only the radius of gyration, these ellipsoids retain the moments of inertia and principle axes of the original precipitate, preserving crystallographic orientational information. The algorithm is applied to study interconnected gamma prime precipitates (L1_2) in the Gamma-matrix (FCC) of a Ni-Al-Cr alloy. The precipitates are found to coagulate along -type directions.Comment: Accepted for publication in Scripta Materialia, added information about local magnification effect

© 2006 Trans Tech Publications, Switzerland Creep of Al-Sc Microalloys with Rare-Earth Element Additions

Abstract. Cast and aged Al-Sc microalloys are creep-resistant to 300�, due to the blocking of dislocations by nanosize, coherent Al3Sc (L12) precipitates. Rare-earth elements substitute for Sc in these precipitates, leading to a higher number density of smaller precipitates, which have a greater lattice-parameter mismatch with Al than in the Al-Sc binary microalloy. This leads to an improvement in both ambient temperature microhardness and high temperature creep. Creep threshold stresses of Al-Sc-RE (RE = Y, Dy, or Er) at 300 � are higher than for Al-Sc and Al-Sc-M (M = Mg, Ti, or Zr) microalloys. This is in agreement with a dislocation climb model that includes the elastic stress fields of the precipitates