Work

Size- and shape-adjustable multiscale precipitate model for three-dimensional discrete dislocation dynamics

Year: 2026

Type: article

Abstract: Precipitate strengthening is a key mechanism allowing materials scientists to design alloys with desirable strength characteristics. From a computational perspective, this calls for accurate modeling techniques able to describe the interaction of complex dislocation networks with the quenched pinning field created by precipitates of different sizes and shapes. Here, we present a multiscale modeling study of dislocation-precipitate interactions in BCC iron containing cementite precipitates, combining molecular dynamics and discrete dislocation dynamics simulations. Using input from molecular dynamics simulations of an individual dislocation driven through individual precipitates of different sizes and shapes, we construct a coarse-grained precipitate model in discrete dislocation dynamics simulations, considering both isotropic and anisotropic elasticity. The resulting model allows one to obtain quantitative predictions of material strength for micrometer-scale precipitation-hardened crystals.

Source: Physica Scripta

DOI: 10.1088/1402-4896/ae398b

Authors: Mika Sarvilahti, Lasse Laurson

Institutions: Tampere University, University of Tampere

Language: English

Topic: Microstructure and mechanical properties

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $2,400

Funder: Academy of Finland