Structural, and Radiation Shielding Simulation of B2O3-SiO2-LiF- ZnO-TiO2 Glasses

doi:10.21203/rs.3.rs-288612/v1

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Structural, and Radiation Shielding Simulation of B2O3-SiO2-LiF- ZnO-TiO2 Glasses

https://doi.org/10.21203/rs.3.rs-288612/v1

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Quaternary glasses with a 59B₂O₃-29SiO₂-2LiF-(\(10-x\)) ZnO-\(x\)TiO₂ composition using the melt-quench techniques were prepared. XRD examined the nature of prepared glasses. The FT-IR spectra was studied for the changes in the structure of these glasses. While the density is increased, the molar volume of the glass system is reduced. The velocities and elastic modulus of these glasses were experimentally and theoretically based on the Makishima-Mackenzie model evaluated. Besides, for the studied glasses, the radiation shielding efficiency was investigated by Phy-X/PSD and XCOM software. These glasses were found to have an abnormal attenuation, structural, and density relationship. The mass attenuation coefficient (µ/ρ), linear attenuation coefficient (LAC), half-value layer (HVL), tenth value layer (TVL), and effective atomic number (Z_eff), of glasses, have been designed to simulate for gamma photon energies between 0.015 and 15 MeV. MAC values calculated using Phy-X/PSD and XCOM were compared and was observed in good agreement with the other.

Electrophysics

Electronic Materials and Devices

Phy-X/PSD

Elastic modulus

FT-IR

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Table 1

Chemical compositions of the prepared glasses (mol, %)

Chemical Composition						Sample name
TiO₂	ZnO	LiF	SiO₂	B₂O₃
0	10	2	29	59	G 1
2	8	2	29	59	G 2
4	6	2	29	59	G 3
6	4	2	29	59	G 4
8	2	2	29	59	G 5
10	0	2	29	59	G 6

Table 2

De-convolution parameter of the infrared spectra of studied glasses (C) is the component band center; (A) is the relative area (%) of the component band of the prepared sample.

G1	C	444.2		681.0	895.5	1041.1	1116.4	1240.7	1367.9	1525.2	1650.2	BO3	BO4	N4
G1	A	0.8		8.0	17.8	11.9	3.9	4.4	28.7	17.1	7.3	33.6	33.2	0.5
G2	C	460.0		680.1	901.7	1053.0	1122.4	1241.2	1388.7	1530.2	1642.4
G2	A	0.5		8.1	19.4	11.7	2.3	3.9	37.3	6.9	9.9	33.5	41.2	0.4
G3	C	484.8	562.6	691.8	894.1	1045.1	1125.6	1255.0	1398.7	1518.8	1640.8
G3	A	0.7	4.1	6.0	17.6	14.9	3.3	11.2	21.8	8.8	11.5	35.8	33.0	0.5
G4	C	495.4		680.7	892.6	1044.7	1122.0	1236.8	1365.0	1526.0	1654.4
G4	A	4.7		9.0	18.6	10.9	4.0	4.1	26.7	14.8	7.3	33.5	30.7	0.5
G5	C	445.0	570.1	684.8	886.5	1037.1	1119.7	1246.5	1369.2	1512.6	1644.1
G5	A	0.4	1.8	6.8	19.1	11.9	5.2	5.7	23.1	16.3	9.8	36.1	28.7	0.6
G6	C	450.5		680.9	894.0	1041.9	1117.6	1239.6	1349.2	1503.2	1651.4
G6	A	0.7		8.2	17.5	12.6	3.6	4.5	20.6	26.7	5.6	33.7	25.1	0.6

Table 3

The values of sound velocities, and elastic moduli (experimentally and theoretically) of glass system doped and undoped titanium oxide.

Y_M	K_M	G_M	L_M	Y	K	G	L	v_T	v_L	Samples name
(GPa)	(GPa)	(GPa)	(GPa)	(GPa)	(GPa)	(GPa)	(GPa)	(m.s⁻¹)
121	37.6	71	90.9	57.42	43.78	22.41	73.66	2970	5385	G 1
134	40	80.7	97.6	61.77	47.01	24.11	79.16	3005	5445	G 2
146	42.2	90.1	104	65.01	49.68	25.35	83.48	3020	5480	G 3
164	45.1	104	112	69.53	52.55	27.17	88.77	3040	5495	G 4
182	48	118	120	73.86	55.06	28.93	93.64	3060	5505	G 5
198	50.6	131	127	77.39	58.36	30.25	98.70	3070	5545	G 6

Table 4

Values of, packing density (Vi), dissociation energy (Gi), thermal expansion coefficient (α_P), acoustic impedance (Z), and Debye temperature (θ_D), oxygen packing density, oxygen molar volume (V_o), micro-hardness (H) and, softening temperature (T_s) of glass system doped and undoped titanium oxide.

T_s, (K)	H, (GPa)	V_o, (cm³/mol)	O_PD, (mol/L)	θ_D, (K)	Zx10⁷ (kg.m^-2.s^-1)			s	d	α_p, (K^-1)	Gi, (kcal/kJ)		V_i x10^-6, (m³)	Samples name/ parameters
567.63	3.26	10.792	92.662	421.59		1.37	0.3		2.05	124918.67		16.7	0.65	G 1
577.98	3.52	10.179	98.245	432.07		1.45	0.3		2.05	126310.67		16.9	0.69	G 2
580.65	3.69	9.693	103.167	438.49		1.52	0.3		2.04	127122.67		17.1	0.73	G 3
585.25	3.99	9.088	110.031	447.85		1.62	0.3		2.07	127470.67		17.3	0.77	G 4
589.84	4.31	8.575	116.619	456.39		1.70	0.3		2.10	127702.67		17.5	0.82	G 5
590.58	4.46	8.186	122.162	462.05		1.78	0.3		2.07	128630.67		17.7	0.86	G 6

Table 5

The Mass attenuation coefficient and Div (%) between the Phy-X/PSD and XCOM data of the glass system.

MAC G 1			MAC G 2			MAC G 3			MAC G 4			MAC G 5			MAC G 6
X_COM	Phy-x	Div %	X_COM	Phy-x	Div %	X_COM	Phy-x	Div %	X_COM	Phy-x	Div %	X_COM	Phy-x	Div %	X_COM	Phy-x	Div %
8.89	10.33	13.99	8.03	9.28	15.55	7.17	8.22	12.78	6.31	7.16	11.89	5.45	6.10	10.69	4.59	5.04	8.95
4.02	4.73	15.11	3.62	4.24	17.18	3.22	3.75	14.09	2.82	3.25	13.33	2.42	2.76	12.25	2.02	2.27	10.72
1.35	1.61	16.42	1.22	1.45	19.15	1.09	1.29	15.54	0.96	1.13	14.96	0.83	0.96	14.13	0.70	0.80	12.94
0.66	0.80	16.50	0.61	0.72	19.20	0.55	0.65	15.63	0.49	0.58	15.00	0.44	0.51	14.20	0.38	0.44	13.13
0.42	0.49	15.61	0.39	0.45	17.85	0.36	0.42	14.57	0.33	0.38	13.89	0.30	0.34	13.06	0.27	0.30	12.01
0.30	0.35	14.15	0.29	0.33	15.74	0.27	0.31	12.98	0.25	0.29	12.27	0.23	0.26	11.43	0.22	0.24	10.43
0.21	0.24	10.87	0.20	0.23	11.50	0.20	0.22	9.70	0.19	0.21	9.02	0.18	0.20	8.33	0.17	0.19	7.51
0.17	0.19	8.14	0.17	0.18	8.30	0.17	0.18	7.16	0.16	0.17	6.62	0.16	0.17	6.05	0.15	0.16	5.44
0.14	0.14	4.28	0.14	0.14	4.22	0.14	0.14	3.74	0.14	0.14	3.50	0.13	0.14	3.18	0.13	0.14	2.84
0.12	0.13	2.60	0.12	0.13	2.49	0.12	0.12	2.26	0.12	0.12	2.08	0.12	0.12	1.98	0.12	0.12	1.81
0.10	0.11	1.29	0.10	0.11	1.23	0.10	0.11	1.14	0.10	0.11	1.07	0.10	0.11	1.00	0.10	0.11	0.93
0.09	0.09	0.75	0.09	0.09	0.71	0.09	0.09	0.67	0.09	0.09	0.62	0.09	0.09	0.59	0.09	0.09	0.54
0.09	0.09	0.50	0.09	0.09	0.47	0.09	0.09	0.44	0.09	0.09	0.42	0.09	0.09	0.39	0.09	0.09	0.36
0.08	0.08	0.34	0.08	0.08	0.32	0.08	0.08	0.32	0.08	0.08	0.30	0.08	0.08	0.28	0.08	0.08	0.26
0.07	0.07	0.19	0.07	0.07	0.18	0.07	0.07	0.17	0.07	0.07	0.16	0.07	0.07	0.16	0.07	0.07	0.15
0.06	0.06	0.10	0.06	0.06	0.11	0.06	0.06	0.10	0.06	0.06	0.09	0.06	0.06	0.10	0.06	0.06	0.09
0.05	0.05	0.02	0.05	0.05	0.03	0.05	0.05	0.02	0.05	0.05	0.02	0.05	0.05	0.03	0.05	0.05	0.03
0.04	0.04	0.02	0.04	0.04	0.01	0.04	0.04	0.01	0.04	0.04	0.00	0.04	0.04	0.01	0.04	0.04	0.01
0.04	0.04	0.05	0.04	0.04	0.05	0.04	0.04	0.02	0.04	0.04	0.02	0.04	0.04	0.02	0.04	0.04	0.00
0.03	0.03	0.13	0.03	0.03	0.10	0.03	0.03	0.07	0.03	0.03	0.07	0.03	0.03	0.03	0.03	0.03	0.00
0.03	0.03	0.22	0.03	0.03	0.19	0.03	0.03	0.16	0.03	0.03	0.09	0.03	0.03	0.06	0.03	0.03	0.03
0.03	0.03	0.30	0.03	0.03	0.25	0.03	0.03	0.20	0.03	0.03	0.15	0.03	0.03	0.09	0.03	0.03	0.04
0.02	0.02	0.47	0.02	0.02	0.39	0.02	0.02	0.31	0.02	0.02	0.23	0.02	0.02	0.14	0.02	0.02	0.05
0.02	0.02	0.60	0.02	0.02	0.51	0.02	0.02	0.42	0.02	0.02	0.32	0.02	0.02	0.18	0.02	0.02	0.09
0.02	0.02	0.90	0.02	0.02	0.77	0.02	0.02	0.63	0.02	0.02	0.44	0.02	0.02	0.30	0.02	0.02	0.15

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Structural, and Radiation Shielding Simulation of B2O3-SiO2-LiF- ZnO-TiO2 Glasses

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