A Method for Predicting the Adiabatic Shear Sensitivity of Pure Copper and Copper Alloys Using Valence Electronic Structure Theory
An electronic structure and adiabatic shearing technology, which is applied in chemical property prediction, electrical digital data processing, special data processing applications, etc., can solve the problems of not being able to predict the difficulty of adiabatic shearing phenomenon well and difficult to break through.
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[0041] A method for predicting the adiabatic shear sensitivity of pure copper and copper alloys using valence electron structure theory, comprising the following steps:
[0042] (1) Applying the above principles, take pure copper and aluminum bronze as examples to calculate the electronic structure parameters
[0043] The hybrid double state of pure copper is:
[0044] h state: :
[0045] t state: :
[0046]
[0047] In the formula, represent n c , represent n l . Table 1 shows the alpha-hybridization table of Cu calculated according to the above hybrid binary states and formulae (1)-(6).
[0048] Table 1 Cu atom alpha-hybridization table
[0049]
[0050] Similarly, the hybridization table of Al atoms can be calculated, as shown in Table 2.
[0051] Table 2 Al atom alpha-hybridization table
[0052]
[0053] pure copper The crystal structure is Fm3m (No.225): f.c.c, and its lattice constant is a 0 =0.36147nm, The...
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