The Scientific World Journal / 2014 / Article / Tab 3 / Research Article
In the Search of Fundamental Inner Bond Strength of Solid Elements Table 3 Comparison between our
calculations at 0 K from Table
1 and (
4 ) and (
11 ), with reported estimation bonds strength of first 3 neighboring atoms inside fcc metals [
8 ].
fcc
1 b. t.
[8 ]
2 Equations (4 ) and (11 )
fcc
1 b. t.
[8 ]
2 Equations (4 ) and (11 )
Au A or 1 12 31.34491 29.627500 31.51 Pt 1 12 40.31798 45.702000 48.61 B or 2 6 0.22635 1.851719 0.1230 2 6 0.34635 2.856375 0.1898 C or 3 24 0.00548 0.365772 0.0048 3 24 0.00959 0.564222 0.0074 4 12 0.115732 4 12 0.178523 Ag 1 12 25.88074 27.259000 28.99 Pd 1 12 49.24018 40.647000 43.23 2 6 0.18539 1.703688 0.1132 2 6 0.43890 2.540438 0.1688 3 24 0.00446 0.336531 0.0044 3 24 0.01250 0.501815 0.0065 4 12 0.106480 4 12 0.158777 Al 1 12 25.50269 20.615500 21.92 Ni 1 12 48.16400 38.906500 41.38 2 6 0.38510 1.288469 0.0856 2 6 0.64762 2.431656 0.1616 3 24 0.01643 0.254512 0.0033 3 24 0.02529 0.480327 0.0063 4 12 0.080529 4 12 0.151979 Cu 1 12 37.39334 29.988000 31.89 2 6 0.45492 1.874250 0.1245 3 24 0.01644 0.370222 0.00486 4 12 0.117141
b. t. is bond type.
With
.
Equations (4 ) and (11 ) with
.