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 1b. t. 2,3Reference [10] 4Equations (4) and (11) hcp 1b. t. 2,3Reference [10] 4Equations (4) and (11)

BeA, B, 11226.6364834.65450036.02Hf11263.1885858.19900060.49
C or 260.810811.5315270.0703260.25622.5720570.1181
D or 320.20140.4196630.0052320.024460.7047840.0088
E, F, 4180.060830.2470100.00184180.004100.4148300.0030
G or 5120.019510.1001240.00035120.000590.1681490.0005
660.067685660.113670

Mg11210.2666120.80900021.63Re11277.2399779.98750083.14
260.09610.9196370.0422260.661843.5349810.1623
320.00920.2519950.0031320.065070.9686410.0121
4180.002850.1483220.00104180.018450.5701330.0042
5120.000410.0601210.00015120.002720.2311000.0006
660.040643660.156226

Sc11230.8076541.91200043.56Co11261.5722940.96600042.58
260.240911.8522660.0850260.797761.8104590.0831
320.027860.5075500.0063320.090460.4960940.0062
4180.006340.2987400.00224180.030420.2919970.0021
5120.001070.1210920.00035120.005040.1183590.0003
660.081859660.080012

Y11233.9209941.20550042.83Zn11213.5242115.61250016.22
260.16271.8210430.0836260.066360.6899820.0316
320.018220.4989950.0062320.004380.1890660.0023
4180.002980.2937040.00214180.002410.1112820.0008
5120.000490.1190510.00035120.000080.0451080.0001
660.080479660.030493

Ti11241.8913344.48700046.24Cd11215.3477413.37850013.9
260.509571.9660660.0903260.037720.5912520.0271
320.075480.5387330.0067320.002060.1620120.0020
4180.018840.3170940.00234180.000970.0953590.0007
5120.003930.1285320.00035120.000020.0386530.0001
660.086889660.026130

Zr11244.2858148.59650050.51
260.376962.1476820.0986
320.044720.5884990.0074
4180.010560.3463850.0025
5120.001830.1404050.0004
660.094915

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 .