In the Search of Fundamental Inner Bond Strength of Solid Elements

Table 4

Comparison between our 𝐸_pair(𝑖) calculations at 0 K from Table 1 and (4) and (11), with reported estimation bonds strength of first 3 neighboring atoms inside bcc metals [9].

bcc	^1b. t.	ccn(𝑖)	[9]	^2Equations (4) and (11)	^3⋯	bcc	^1b. t.	ccn(𝑖)	[9]	^2Equations (4) and (11)	^3⋯
Ba	A or 1	8	26.94813	29.287500	34.27	Cr	1	8	76.53049	61.964500	72.51
	B or 2	6	2.63391	8.025239	2.573		2	6	15.03984	16.979255	5.444
	C or 3	12		0.354669	0.0050		3	12	0.10841	0.750384	0.0106
	4	24		0.084618			4	24		0.179028
V	1	8	53.13139	63.369500	74.16	Mo	1	8	91.04682	84.806500	99.25
	2	6	9.70330	17.364247	5.568		2	6	15.64323	23.238325	7.452
	3	12	0.05577	0.767399	0.0010		3	12	0.07440	1.026999	0.0145
	4	24		0.183088			4	24		0.245023
Nb	1	8	95.48674	79.841500	93.44	W	1	8	107.09495	108.017000	126.41
	2	6	15.15142	21.877837	7.015		2	6	18.22915	29.598370	9.491
	3	12		0.966873	0.0137		3	12	0.08422	1.308076	0.0185
	4	24		0.230679			4	24		0.312083
Ta	1	8	109.20519	94.425500	110.5	Fe	1	8	59.67579	53.458500	62.56
	2	6	17.31214	25.874084	8.296		2	6	11.84176	14.648476	4.697
	3	12		1.143484	0.0162		3	12	0.08796	0.647377	0.0091
	4	24		0.272815			4	24		0.154453

1b. t. is bond type.
2With 𝑛=9and𝑖=13.
3Equations (4) and (11) with 𝑛=18and𝑖=3.