The Scientific World Journal / 2014 / Article / Tab 5 / Research Article
In the Search of Fundamental Inner Bond Strength of Solid Elements Table 5 Comparison between our
calculations at 0 K from Table
1 and (
4 ) and (
11 ), with reported estimation bonds strength of first 5 neighboring atoms inside hcp metals [
10 ].
hcp
1 b. t.
2,3 Reference [10 ]
4 Equations (4 ) and (11 )
hcp
1 b. t.
2,3 Reference [10 ]
4 Equations (4 ) and (11 )
Be A, B, 1 12 26.63648 34.654500 36.02 Hf 1 12 63.18858 58.199000 60.49 C or 2 6 0.81081 1.531527 0.0703 2 6 0.2562 2.572057 0.1181 D or 3 2 0.2014 0.419663 0.0052 3 2 0.02446 0.704784 0.0088 E, F, 4 18 0.06083 0.247010 0.0018 4 18 0.00410 0.414830 0.0030 G or 5 12 0.01951 0.100124 0.0003 5 12 0.00059 0.168149 0.0005 6 6 0.067685 6 6 0.113670 Mg 1 12 10.26661 20.809000 21.63 Re 1 12 77.23997 79.987500 83.14 2 6 0.0961 0.919637 0.0422 2 6 0.66184 3.534981 0.1623 3 2 0.0092 0.251995 0.0031 3 2 0.06507 0.968641 0.0121 4 18 0.00285 0.148322 0.0010 4 18 0.01845 0.570133 0.0042 5 12 0.00041 0.060121 0.0001 5 12 0.00272 0.231100 0.0006 6 6 0.040643 6 6 0.156226 Sc 1 12 30.80765 41.912000 43.56 Co 1 12 61.57229 40.966000 42.58 2 6 0.24091 1.852266 0.0850 2 6 0.79776 1.810459 0.0831 3 2 0.02786 0.507550 0.0063 3 2 0.09046 0.496094 0.0062 4 18 0.00634 0.298740 0.0022 4 18 0.03042 0.291997 0.0021 5 12 0.00107 0.121092 0.0003 5 12 0.00504 0.118359 0.0003 6 6 0.081859 6 6 0.080012 Y 1 12 33.92099 41.205500 42.83 Zn 1 12 13.52421 15.612500 16.22 2 6 0.1627 1.821043 0.0836 2 6 0.06636 0.689982 0.0316 3 2 0.01822 0.498995 0.0062 3 2 0.00438 0.189066 0.0023 4 18 0.00298 0.293704 0.0021 4 18 0.00241 0.111282 0.0008 5 12 0.00049 0.119051 0.0003 5 12 0.00008 0.045108 0.0001 6 6 0.080479 6 6 0.030493 Ti 1 12 41.89133 44.487000 46.24 Cd 1 12 15.34774 13.378500 13.9 2 6 0.50957 1.966066 0.0903 2 6 0.03772 0.591252 0.0271 3 2 0.07548 0.538733 0.0067 3 2 0.00206 0.162012 0.0020 4 18 0.01884 0.317094 0.0023 4 18 0.00097 0.095359 0.0007 5 12 0.00393 0.128532 0.0003 5 12 0.00002 0.038653 0.0001 6 6 0.086889 6 6 0.026130 Zr 1 12 44.28581 48.596500 50.51 2 6 0.37696 2.147682 0.0986 3 2 0.04472 0.588499 0.0074 4 18 0.01056 0.346385 0.0025 5 12 0.00183 0.140405 0.0004 6 6 0.094915
b. t. is bond type.
For type 1 nearest neighbor bonds A or B.
For type 4 nearest neighbor bonds E or F.
With
.
Equations (4 ) and (11 ) with
.