Atomistic weak interaction criterion for the specificity of liquid metal embrittlement.

ABSTRACT: Liquid metal embrittlement (LME) occurs in some solid-liquid metal elements' couples (e.g., Fe-Zn and Al-Ga), called specificity. Although some material parameters like solubility and bonding energy were suggested as controlling factors, none could be attributed satisfactorily. Here we have unveiled the primary factor that governs the specificity of LME. From first-principles calculations compared with a systematic surveillance test result, we found that the grain-boundary (GB) adsorption energy shows near-zero values in all embrittling couples; the interaction between solid and liquid metal atoms is weak when an atom from the liquid state penetrates the grain boundary of the solid. Furthermore, we found that the calculated surface adsorption energy that promotes bond-breaking does not cor

SUBMITTER: Yamaguchi M 

PROVIDER: S-EPMC9253112 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature