Experimental and Computational Methods for Determining the Composition of Commercial Titanium and Aluminum Alloys

Galina Kuzmicheva; Andrey Dolgov; Ivan Pavlov

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Experimental and Computational Methods for Determining the Composition of Commercial Titanium and Aluminum Alloys

Galina Kuzmicheva

^{*

1},

Andrey Dolgov

²,

Ivan Pavlov

¹ MIREA - Russian Technological University
² MIREA - Russian Technological University, Vernadsky pr., 78, Moscow, 119454, Russian Federation
³ Kurchatov Complex of Crystallography and Photonics, National Research Center "Kurchatov Institute", Leninsky pr., 59, Moscow, 119333, Russian Federation

Academic Editor: Petrica Vizureanu

Published: 18 September 2024 by MDPI in The 4th International Online Conference on Crystals session Crystalline Metals and Alloys

Abstract:

Commercial alloys of Al-1 (wt.%) (91.9 -94.6Al, 4.8-5.8Mg, 0.5 Si =Fe, 0.1Cu, 0.05-0.08Mn, 0.005Be), Al-2 (90.8-94.7Al, 1.2-1.8Mg, 0.5Si = Fe, 3.8-4.9Cu, 0.3-0.9Mn, 0.1Ni), and Ti (94.2-96.9Ti, 1.0-2.5Al, 0.15Si, 0.3Fe, 0.3Zr, 0.7-2.0Mn, 0.15O, 0.3X) contain impurities, but bear no indication of their composition and structure, on which the performance characteristics of the materials depend. The purpose of this work was to develop an method and program for determining the alloys’ composition. The use of a complex of X-ray phase and elemental (EDX) analyses, crystal chemical calculations (the theory of closest packing—CP, metal radii—r(M)Å, and Vegard’s—V or Retger’s—R rules) allowed us to determine the compositions of these alloys.

Al-1. Substitutional solid solution (SSS) (Al_1-xMg_x) (sp.gr. Fm3m; а_exp=4.088(7)Å) with type (ST) of Cu (98%) + impurities (2%): a_CP(Al)=4.045Å, “a_CP(Mg)”=4.526Å - (Al_0.90Mg_0.10)_CP+V (~350°C) [1]; EDX (wt.%): 91Al, 8Mg, 0.2Fe, 0.3Si, 0.5Mn.

Al-2. SSS (Al_1-xCu_x) (STCu; а_exp=4.036(4)Å): a_ex_p(Al)=4.049Å, a_exp(Cu)=3.615Å; a_CP(Al)=4.045Å, a_CP(Cu)=3.620Å - (Al_0.97Cu_0.03)_V =(Al_0.98Cu_0.02)_CP+V (~500°C) [2]; EDX (wt.%): 98.3Al, 0.7Mg, 0.3Fe, 0.4Si, 0.1Mn, 0.1Cu, 0.1Ni.

Ti. SSS (Ti_1-xAl_x) (sp.gr. P6₃/mmc; a_exp=2.942, c_exp=4.678Å, c/a=1.590, V=35.064Å³) with ST derived from Mg (c/a=1.633): a_exp(Ti)=2.950Å, c_exp(Ti)=4.684Å, V=35.300Å³; a_CP(Ti)=2.940Å, c_CP(Ti)=4.675Å, V_CP=34.994Å³; “a_CP(Al)”=2.860Å, “c_CP(Al)”=4.547Å, V_CP=32.208Å³ - (Ti_0.92Al_0.08)_CP+R; “a_CP(Mn)”=2.540Å, “c_CP(Mn)”=4.039Å, V_CP=22.566Å³ - (Ti_0.98Mn_0.02)_CP+R; (Ti_1.00_-_0.80Al₀_-_0.12Mn₀_-_0.08) (700°С) [3]; EDX (wt.%): 84.6Ti, 2.5Al, 1.0Mn, 0.2Si, 0.1Fe, 11.6О.

Thus, the composition of Al-1, Al-2, and Ti alloys are different from those indicated by the certificates.

Funding: Ministry of Science and Higher Education of the Russian Federation grant № FSFZ-2024-0003.

[1] R. Mola et al. Archivae of Foundryengineering. 2008. V.8. P.127

[2] W. Bedjaoui et al. Int. J. Automot. Mech. Eng. 2022. V.19. P.9734

[3] X.M. Huang et al. J. of Alloys and Compounds 2021. V.861. P. 158578

Keywords: Al alloy, Ti alloy, composition, structure

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Galina Kuzmicheva

Andrey Dolgov

Ivan Pavlov