# Strongly Non-Arrhenius Self-Interstitial Diffusion in Vanadium

Source: [Strongly Non-Arrhenius Self-Interstitial Diffusion in Vanadium](<https://www.sota2.com/research/paper/68fa26712c2a3760193ba07a>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2025-10-24T11:23:03.993Z

Authors: Luis A. Zepeda-Ruiz, Joerg Rottler, Seungwu Han, Graeme J. Ackland, Roberto Car, David J. Srolovitz

Published: 2004-01-26T22:09:36.000Z

## Abstract

We study diffusion of self-interstitial atoms (SIAs) in vanadium via molecular dynamics simulations. The \<111\>-split interstitials are observed to diffuse one-dimensionally at low temperature, but rotate into other \<111\> directions as the temperature is increased. The SIA diffusion is highly non-Arrhenius. At T\<600 K, this behavior arises from temperature-dependent correlations. At T\>600 K, the Arrhenius expression for thermally activated diffusion breaks down when the migration barriers become small compared to the thermal energy. This leads to Arrhenius diffusion kinetics at low T and diffusivity proportional to temperature at high T.

## Recorded benchmark results

A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage.

## Original sources and implementation

[Original paper](<https://arxiv.org/abs/cond-mat/0401525>)

[PDF](<https://arxiv.org/pdf/cond-mat/0401525.pdf>)