Table 1 Effective ionic charge and Buckingham potential parameters used for MD simulations^{27,35,36,37,38,39,40,41,42,43,44}.

Element	Effective ionic charge	Buckingham potential parameters
	q_i (e)	A_i,o (eV)	B_i,o (Å)	C_i,o (eV Å⁶)	\({\it{B}}_{{\it{i}},{\it{O}}}^\prime\)
O^37,38	−1.2	2029.22	0.343645	192.58	66.7013
Si^37,38	+2.4	13702.91	0.193817	54.681	105.6045
Li³⁹	+0.6	41051.94	0.15116	0	25.5680
Na^37,38	+0.6	4383.756	0.243838	30.7	34.0818
K³⁹	+0.6	20526.97	0.233708	51.489	17.8292
Ca²⁷	+1.2	7747.183	0.252623	93.109	49.3250
Sr²⁷	+1.2	14566.64	0.245015	81.773	26.8815
Al⁴⁰	+1.8	12201.42	0.195628	31.997	50.0620
Y⁴¹	+1.8	29526.98	0.211377	50.477	20.9356
La⁴⁰	+1.8	4369.39	0.2786	60.28	30.2441
Er⁴²	+1.8	58934.85	0.195478	47.651	17.1005
Eu⁴³	+1.8	5950.529	0.253669	27.818	19.5874
Ce⁴⁴	+1.8	11476.95	0.242032	46.7604	21.8666
B⁴⁷	+1.8	12362.78^a	0.171271	28.500	164.7216^a
Zr³⁶	+2.4	17943.38	0.226627	127.65	58.3358

Here, A_i,o, B_i,o, and C_i,o are the short-range interaction parameters between an ion element i and oxygen anion. The short-range interactions between the cation elements are ignored in the present set of MD potentials. The values of \(B_{i,O}^\prime\), calculated based on Eq. 3, is also listed for each element.
^aA_i,o and \(B_{i,O}^\prime\) values for the boron ions are calculated for the glass composition of 30% B₂O₃ + 70% SiO₂.

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