Data-driven study of dilute aluminum alloys

The development of new high-tech aluminum alloys is an important and actual task. Modern theoretical methods make it possible to obtain data on the material’s properties, allowing to determine the search area for optimal alloying elements or their combinations for specific applications. Using the PA...

Full description

Saved in:
Bibliographic Details
Published in:Journal of materials research 2023-08, Vol.38 (16), p.3850-3860
Main Authors: Smirnova, E. A., Karavaev, K. V., Ponomareva, A. V.
Format: Article
Language:English
Subjects:
Alloying elements
Aluminum base alloys
Applied and Technical Physics
Binary alloys
Biomaterials
Bulk modulus
Charge density
Chemistry and Materials Science
Dilution
Elastic properties
Inorganic Chemistry
Materials Engineering
Materials research
Materials Science
Mechanical properties
Modulus of elasticity
Nanotechnology
Shear modulus
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The development of new high-tech aluminum alloys is an important and actual task. Modern theoretical methods make it possible to obtain data on the material’s properties, allowing to determine the search area for optimal alloying elements or their combinations for specific applications. Using the PAW method, we systematically studied the properties of binary dilute aluminum alloys with 58 alloying components with an impurity concentration of 1 at.%. For each alloy, lattice parameter a, bulk modulus B, elastic constants C 11 , C 12 , C 44 , Young's modulus E, and shear modulus G were calculated. Ductility characteristics were analyzed using the G/B ratio and the Cauchy pressure P C . Good agreement between the obtained results and experimental data is shown. The influence of alloying components on the mechanical properties of alloys has been evaluated. For a deeper understanding of the discovered dependencies, charge density change analysis of aluminum alloys was carried out. Graphical abstract
ISSN:0884-2914
2044-5326
DOI:10.1557/s43578-023-01102-w