Network structure of multi-component sodium borosilicate glasses by neutron diffraction

Fábian, Martin; Sváb, E.; Mészáros, György; Révay, Zs.; Proffen, Thomas; Veress, Erzsébet

doi:10.1016/j.jnoncrysol.2007.02.030

Cited by 24 publications

(39 citation statements)

References 18 publications

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“…Note, that due to the limited Q-range of the present experiment the r-space resolution is rather low, Dr ¼ 2p Q max % 0:6, and therefore the Si-O and B-O first neighbor atomic pair distributions are not resolved in the first peak of g MCGR (r) in contrast to the high Q-range ND experiment on host glasses reported in Ref. [3].…”

Section: Reverse Monte Carlo Modelingcontrasting

confidence: 56%

“…However, based on a priori structural considerations we may expect useful information on the structure. As far as, the S(Q)'s of the UO 3 -loaded specimens and the corresponding host glasses [3] look fairly similar, as it is illustrated in Fig. 3, it is reasonable to suppose that uranium does not change significantly the basic network former units of the host glass.…”

Section: Reverse Monte Carlo Modelingmentioning

confidence: 60%

“…The best fit of the experimental ND pattern was revealed with q 0 = 0.078 ± 0.002 at Å À3 , which is about 7% higher than 0.073 at Å À3 obtained for the host glasses [3].…”

Section: Reverse Monte Carlo Modelingmentioning

confidence: 64%

“…In the course of our previous work [2] we have established that addition of ZrO 2 improves the glass and hydrolytic stability due to its strong charge compensating ability. Our results on the network structure of the host glasses obtained from high momentum transfer neutron diffraction experiment up to 30 Å À1 are presented in [3].…”

Section: Introductionmentioning

confidence: 99%

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Neutron diffraction study of sodium borosilicate waste glasses containing uranium

Fábian¹,

Sváb²,

Mészáros³

et al. 2007

Journal of Non-Crystalline Solids

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Section: Reverse Monte Carlo Modelingcontrasting

confidence: 56%

Section: Reverse Monte Carlo Modelingmentioning

confidence: 60%

“…The best fit of the experimental ND pattern was revealed with q 0 = 0.078 ± 0.002 at Å À3 , which is about 7% higher than 0.073 at Å À3 obtained for the host glasses [3].…”

Section: Reverse Monte Carlo Modelingmentioning

confidence: 64%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Neutron diffraction study of sodium borosilicate waste glasses containing uranium

Fábian¹,

Sváb²,

Mészáros³

et al. 2007

Journal of Non-Crystalline Solids

Self Cite

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“…In the case of highpressure experiments, the laser-heated diamond anvil cell combined with the synchrotron X-ray diffraction technique was used [1]. We also used the first-principle calculations to investigate the magnetic property of highpressure phase, which was discovered in the high-pressure experiments [2]. According to previous studies at ambient temperatures, FeS exhibits the following sequence of highpressure phase transitions: troilite (FeS-I), low-P MnP phase (FeS-II), monoclinic phase (FeS-III).…”

Section: Ms23 O4 Magnetic Phase Transition Of Fes At High Pressuresmentioning

confidence: 99%

Magnetic phase transition of FeS at high pressures

Ono

2007

Acta Cryst Sect A

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RMC simulation of the experimental structure factor was successfully applied to generate a reliable 3-dimensional atomic configuration. Several partial atomic pair correlation functions, like the g SiO (r), g BO (r), g OO (r), g SiSi (r), g SiB (r), g NaO (r), g BaO (r), g ZrO (r) According to the cosmochemical arguments and the seismological data, the Earth's core must contain some light elements. However, the nature of the light element is still uncertain, and the major proposed candidates have been C, Si, O, H, or S. Therefore, it is important to understand the phase relationships of iron alloys at high pressures and high temperatures. In this study, we conducted high-pressure experiments and ab inito calculations to investigate the phase transitions and the physical properties of iron sulfide. In the case of highpressure experiments, the laser-heated diamond anvil cell combined with the synchrotron X-ray diffraction technique was used [1]. We also used the first-principle calculations to investigate the magnetic property of highpressure phase, which was discovered in the high-pressure experiments [2]. According to previous studies at ambient temperatures, FeS exhibits the following sequence of highpressure phase transitions: troilite (FeS-I), low-P MnP phase (FeS-II), monoclinic phase (FeS-III). In our highpressure experiments, we confirmed that the monoclinic phase was stable up to 40 GPa. Above 40 GPa, the sample was heated to 1000-2000 K to induce the phase transition. After heating, a new high-pressure phase (high-P MnP phase) was observed. This high-P MnP phase (FeS-VI) remained stable at pressures higher than 120 GPa. We found a significant discrepancy between low-P MnP and high-P MnP phases. The discontinuities for the unit cell volume and the cell parameters between two phases were observed. As the structure of low-P MnP phase is identical to that of high-P MnP phase, these discontinuities indicated that an unknown type of phase transition must occur. Next, we investigated the magnetic properties and the spin configurations of these phases using the ab inito calculations. Previous study [3] confirmed that the low-P MnP phase was antiferromagnetic state. The same results were confirmed in our calculations. We also calculated the non-magnetic state for the MnP structure. The calculated results showed that the non-magnetic MnP structure was more stable than anti-ferromagnetic MnP structure at high pressures. The volume and cell parameters of nonmagnetic MnP structure were in good agreement with those of high-P MnP phase observed in our experiments. Therefore, the magnetic transition of the MnP structure occurred at high pressures. The high-pressure stability limit of the high-P MnP phase was also investigated. We found that the phase transition from the high-P MnP phase to the CsCl-type phase occurs at about 300 GPa. Thus, the high-P MnP phase is stable at pressures corresponding to the lower mantle and the outer core. In contrast, the CsCltype phase is stable in the inner core. Our new findings can c...

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Effect of B₂O₃ on the Melt Structure and Viscosity of CaO–SiO₂ System

Zhang

Liu

Jiang

2021

steel research int.

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Molecular dynamics (MD) simulations have been used to study the structure properties of CaO–SiO2 slags and CaO–SiO2–B2O3 slags with different basicity. The results show that the addition of B2O3 to the higher basicity system of CaO–SiO2 (basicity >1.12) increases the degree of polymerization (DOP) of the system and the complexity of network structures, theoretically leading an increase in the viscosity of the slag. In the CaO–SiO2–B2O3 ternary system, the structure of Si–BO (bridging oxygen)–B is more dominant than B–BO–B, indicating that the newly introduced B–O network structure will be randomly mixed with the initial Si–O network structure instead of forming enrichment zones. Moreover, with the addition of B2O3, the viscosities of CaO–SiO2 increase in higher basicity systems, but decrease in the lower basicity systems based on the viscosity measurement. The different effect of adding B2O3 on the viscosity of the CaO–SiO2 slag is consistent with the changing trend of the melt structure.

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Network structure of multi-component sodium borosilicate glasses by neutron diffraction

Cited by 24 publications

References 18 publications

Neutron diffraction study of sodium borosilicate waste glasses containing uranium

Neutron diffraction study of sodium borosilicate waste glasses containing uranium

Magnetic phase transition of FeS at high pressures

Effect of B₂O₃ on the Melt Structure and Viscosity of CaO–SiO₂ System

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Network structure of multi-component sodium borosilicate glasses by neutron diffraction

Cited by 24 publications

References 18 publications

Neutron diffraction study of sodium borosilicate waste glasses containing uranium

Neutron diffraction study of sodium borosilicate waste glasses containing uranium

Magnetic phase transition of FeS at high pressures

Effect of B2O3 on the Melt Structure and Viscosity of CaO–SiO2 System

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Product

Resources

About

Effect of B₂O₃ on the Melt Structure and Viscosity of CaO–SiO₂ System