Multiscale modeling of resistive switching in gold nanogranular films

TL;DR

This paper presents a multiscale modeling approach to understand resistive switching in gold nanogranular films, combining ab initio, molecular dynamics, and finite-element methods to capture complex dynamical behaviors relevant for neuromorphic devices.

Contribution

It introduces a novel multiscale modeling framework that integrates nanoscale current, structural dynamics, and heat transfer to explain resistive switching phenomena.

Findings

Successfully describes key features of resistive switching in nanogranular films.

Provides microscopic physical interpretation of the switching mechanism.

Incorporates electromigration effects based on experimental data.

Abstract

Metallic nanogranular films display a complex dynamical response to a constant bias, showing up as atypical resistive switching mechanism which could be used to create electrical components for neuromorphic applications. To model such a phenomenon we use a multiscale approach blending together an ab initio treatment of the electric current at the nanoscale, a molecular dynamical approach dictating structural rearrangements, and a finite-element solution of the heat equation for heat propagation in the sample. We also consider structural changes due to electromigration which are modelled on the basis of experimental observations on similar systems. Within such an approach, we manage to describe some distinctive features of the resistive switching occurring in nanogranular film and provide a physical interpretation at the microscopic level.