Elastic properties of Mn-rich α intermetallic phase in engineering aluminum alloys: An ab initio study

Ma D (2018)


Publication Type: Journal article

Publication year: 2018

Journal

Book Volume: 124

Article Number: 085109

Journal Issue: 8

DOI: 10.1063/1.5041524

Abstract

The α intermetallic phase can be found in almost all aluminum alloys used in engineering, primarily because of the presence of unwanted but unavoidable impurities from primary production or recycling. There are ample examples showing that α intermetallic particles act as damage nucleation sites during forming operations. To achieve an in-depth understanding of these particles as damage nucleation sites, it is important to know their thermomechanical behavior, as well as their interactions with the matrix during production and service. Despite their importance, however, the mechanical properties of the α intermetallic phase, such as the elastic modulus and the thermal expansion, have not been very well studied. Here, we apply ab initio methods to study the mechanical properties of the α intermetallic phase, with the focus on two polymorphs of the Mn-rich α phase: Al114Mn24 and Al108Mn24Si6. Besides the ground-state elastic properties, the temperature-dependent thermal expansion coefficient and bulk modulus are also calculated. As a case study, these calculated properties are used as input to an Eshelby-type eigenstrain model to evaluate the thermal residual stress of a spherical α-phase particle in an aluminum matrix during a cooling process.

Authors with CRIS profile

Involved external institutions

How to cite

APA:

Ma, D. (2018). Elastic properties of Mn-rich α intermetallic phase in engineering aluminum alloys: An ab initio study. Journal of Applied Physics, 124(8). https://dx.doi.org/10.1063/1.5041524

MLA:

Ma, Duancheng. "Elastic properties of Mn-rich α intermetallic phase in engineering aluminum alloys: An ab initio study." Journal of Applied Physics 124.8 (2018).

BibTeX: Download