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Singh 3 Multiscale modeling predictions of age hardening curves in Al-Cu alloys Abstract: Precipitation hardening is a common method of manufacturing high strength structural alloys for wide industrial applications. In this chapter, we describe an atomistics based multiscale model to predict macroscopic mechanical strength of precipiatation hardened alloys. Molecular dynamics (MD) is utilized to understand dislocation-precipitate interactions, and to estimate the precipitate strengths. This serves as input to meso-scale dislocation dynamics framework to predict flow strength through the precipitate microstructure at specific aging times.

We fit this free energy data to the simplified form of the free energy functions using the procedure described in Sec. 2 and calculate the chemical potential μ, which is the driving force for diffusion, using Eq. 9). In our system, the compositions of equilibrium Cu-rich precipitates and Fe-rich matrix are very close to pure Cu and pure Fe, respectively. From the broken-bond model (BBM) calculations (see Tab. 410 J m−2 ([110] interface). We use this interface energy value as a representative and approximated input parameter for the PFM simulations.

BMU-Vorhaben SR2239, Staatliche Materialprüfungsanstalt (MPA), Universität Stuttgart; 1997. Friedel J. On the entropy of vibration of dislocations. Phil Mag A. 1982;45:271. Russell KC, Brown LM. A dispersion strengthening model based on different elastic moduli applied to the Fe-Cu system. Acta Met. 1972;20:969–974. Nembach E. Particle Strengthening of Metals and Alloys. ; 1997. Soisson F, Barbu A, Martin G. Monte carlo simulations of copper precipitation in dilute ironcopper alloys during thermal ageing and under electron irradiation.

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