Abstract

Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations. It is a pertinent question if this variability is purely random or to some extent predictable. Here we show, by employing machine learning techniques such as regression neural networks and support vector machines that deformation predictability evolves with strain and crystal size. Using data from discrete dislocations dynamics simulations, the machine learning models are trained to infer the mapping from features of the pre-existing dislocation configuration to the stress-strain curves. The predictability vs strain relation is non-monotonic and exhibits a system size effect: larger systems are more predictable. Stochastic deformation avalanches give rise to fundamental limits of deformation predictability for intermediate strains. However, the large-strain deformation dynamics of the samples can be predicted surprisingly well.

Highlights

  • Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations

  • We study deformation predictability by applying machine learning (ML) methods able to learn the mapping from features of the preexisting dislocation microstructure to the ensuing stress-strain curves, using 2D discrete dislocation dynamics (DDD) simulations as a test system

  • We analyze the reasons behind these dependencies, and find that they originate on one hand from the properties of the largely stochastic deformation bursts, and on the other from the predictive power of various descriptors of the initial state evolving with the system size

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Summary

Introduction

Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations. Given sufficient amounts of training data, such models, or regression neural networks, are capable of learning complex, non-linear mappings from a high-dimensional feature vector to a desired output This property makes these models useful to solve novel kinds of problems in fields such as physics and materials science[7,8,9,10,11,12,13], and related activities have very recently gained significant momentum[14]. It is experimentally well-established that micron-scale crystals deform plastically via a sequence of broadly distributed strain bursts, directly visible as steps in the staircase-like stress-strain curve[15,16,17,18,19]. We discuss how our results open the door to experimental work on deformation predictability and optimization of mechanical properties of materials

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