Method for predicting adiabatic shear sensitivity of pure copper and copper alloys using valence electron structure theory
An electronic structure, adiabatic shearing technology, applied in chemical property prediction, electrical digital data processing, special data processing applications, etc.
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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 steps of:
[0042] (1) Applying the above principles, taking 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 hybridization table of Cu calculated according to the above hybrid double state and formulas (1)-(6).
[0048] σ 1 2 3 4 5 6 7 8 9 C hσ
1.0000 0.9999 0.9998 0.9983 0.9752 0.9502 0.9415 0.7997 0.7248 C tσ
0 0.0001 0.0002 0.0017 0.0248 0.0498 0.0585 0.2003 0.2752 n Tσ
5.0000 5.0002 5.0005 5.0035 5.0497 5.0995 5.1169 5.4006 5.5503 n lσ
1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.000...
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