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This Work, Debye Temperature And Debye Frequency Of Metals Were Computed And Studied Using Quantum Einstein Theory. The Electron Density Parameters Of Strained Metals Is Obtained And Used In The Computation.. The Results Obtained Revealed That There Is Agreement Between The Computed And Experimental Values Of Debye Temperature And Debye Frequency. This Shows That The Model Can Be Used To Study Debye Properties Of Metals. The Debye Temperature And Debye Frequency Obtained Are More Concentrated In The High Density Limit. This Revealed That Debye Temperature And Debye Frequency Of Metals Depend On The Electronic Concentration. Also, The Experimental Value Of Debye Temperature And Debye Frequency Is Higher Than The Computed Value, This Is Because Of Some Factor Which Debye Temperature And Debye Frequency Relied On That The Theory Failed To Account For. Debye Temperature And Debye Frequency Of Metals Reduces As Strain Increase. This Shows That As Strain Increase, Space Between Lattice Atom Increase Which Reduces Strength Of Electron Interaction And There-By Forces Debye Temperature, Debye Frequency To Decrease As Deformation Increase. This Behavior Of Metals Reveal That Debye Temperature And Debye Frequency Is Greatly Affected By Deformation.

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The interactions between distinctive alloying elements have been scrutinized through atomistic investigation for essential material selection. The tight-binding model was applied to compute the thermodynamic properties of V, Cr, Mo, and Fe metals and their binary alloys. The calculated results agree with the accessible experiment in some cases, while some are closer in agreement with the experiment. The minimum formation enthalpies observed are-17.80,-15.20,-13.10,-11.50, and-0.90 eV for Cr-Mo, Cr-V, Fe-V, V-Fe, and Mo-Cr, respectively. The Cr-Mo alloy is the most stable of all the selected alloys with the least formation enthalpy. For the alloy structure, bcc phases were observed for V0.50Cr0.50, V 0.01 M o0.99 , V0.50F e0.50, and Cr0.01M o0.99 alloys with values of VEC of <6.87. Furthermore, fcc and bcc coexist for Cr0.50F e0.50 and M o0.50F e0.50 alloys, which have VEC values between 6.87 and 8.

The elastic constants are paramount to determine the strength of alloys. The elastic constants of [Formula: see text]–Ir, [Formula: see text]–Ir, and [Formula: see text]–Ir3 where [Formula: see text] represents [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text] and [Formula: see text] were computed at room temperature using the embedded atom method (EAM) and the alloy mixing potentials. The potential parameters of the selected pure metals were fitted to the experimental values to compute some properties of Ni–Al, Ni3–Al, Ni–Al3, Cu–Au, Cu3–Au and Cu–Au3, and by comparing the experimental data with our predictions, the employed potential predicted some results in reasonable agreement to available experimental data with discrepancies in some cases, and these discrepancies linked to the dependence of the computed elastic constants on the fitting parameters. The potential with the metallic parameters was used as alloy parameters in computing the elastic constants, bulk modulus, and the shear modulus of the iridium binary alloy. It was generally observed that, the selected metals improve the ductility of Iridium with the highest value, recorded for Pd–Ir, and consequently the minimum value for Al–Ir, and Rh–Ir which characterized them to be ductile. The balance orders for the binary alloys were provided through the formation enthalpy.