Publisher DOI: 10.1016/j.actamat.2021.117510
Title: Characterization of an Al-Cu-Mg-Zn multi principal element alloy by experimental and computational screening methods
Language: English
Authors: Kirschner, Johannes 
Mayr-Schmölzer, Wernfried 
Bernardi, Johannes 
Gaschl, Robert 
Schwarz, Sabine 
Simson, Clemens 
Vonbun-Feldbauer, Gregor  
Eisenmenger-Sittner, Christoph 
Keywords: Alloy synthesis; Cluster expansion; Crystallography; Density functional theory; Magnetron sputtering; Multi principal element alloys
Issue Date: 1-Feb-2022
Source: Acta Materialia 224: 117510 (2022-02-01)
Abstract (english): 
We present a combined experimental and computational investigation of phase stability and mechanical properties in the Al-Cu-Mg-Zn quaternary system. Samples containing different relative compositions were prepared using magnetron sputtering and investigated by electron microscopic and X-ray based methods. To classify the technical relevance of the samples, the indentation hardness was measured. The phase stability was studied computationally using a cluster expansion approach based on density functional theory (DFT) methods in a comprehensive screening of the structural and stoichiometric configuration space. Upon decreasing Cu concentration, a transition from an FCC to a mixed FCC/BCC crystal system and significant changes in the mechanical properties depending on Valence Electron Concentration (VEC) and atomic size differences (δr) was observed experimentally. The corresponding crystallographic phases were assigned by XRD and the experimentally observed phase transition was confirmed by the computational screening of formation energies. Since to date, quaternary complex light metal alloy systems cannot be reliably predicted, this is an important step towards a priori modelling of this class of materials.
ISSN: 1359-6454
Journal: Acta materialia 
Institute: Keramische Hochleistungswerkstoffe M-9 
Document Type: Article
Appears in Collections:Publications without fulltext

Show full item record

Page view(s)

Last Week
Last month
checked on Jun 5, 2023

Google ScholarTM


Add Files to Item

Note about this record

Cite this record


Items in TORE are protected by copyright, with all rights reserved, unless otherwise indicated.