journal article·2026-02

Quantitative analysis of binary CaO-Al2O3 glasses structure integrating experiments and simulations

Yufan Zhao, Jinglin You, Shixiang Wang, Jiawen Lu, Feiyan Xu, Longxing Zhang, Bilal Ghafoor, Aurélien Canizarès, Kai Tang, Liming Lu, Qingli Zhang, Songming Wan

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Glass properties and applications · Metallurgical Processes and Thermodynamics · Material Science and Thermodynamics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (43)

Show source-provided references
1. Hydration of calcium aluminate cements: a solid-state 27Al NMR study10.1111/j.1151-2916.1993.tb03799.x ↗
2. Chemical synthesis and characterization of calcium aluminate powders10.1111/j.1151-2916.1994.tb07026.x ↗
3. The influence of slightly and highly soluble carbonate salts on phase relations in hydrated calcium aluminate cements10.1007/s10853-016-9912-9 ↗
4. High-density electron anions in a nanoporous single crystal: [Ca24Al28O64]4+.4e-10.1126/science.1083842 ↗
5. Microstructure evolution of calcium aluminate cements hydration with silica fume and fly ash additions by scanning electron microscopy, and mid and near-infrared spectroscopy10.1111/j.1551-2916.2008.02283.x ↗
6. Assessment of the CaO-Al2O3 system10.1111/j.1151-2916.1990.tb05083.x ↗
7. Polyhedral units and network connectivity in calcium aluminosilicate glasses from high-energy X-ray diffraction10.1103/PhysRevLett.85.3436 ↗
8. A structure investigation of CaO-Al2O3 glasses via 27Al MAS-NMR10.1016/0022-3093(95)00536-6 ↗
9. Joining of porous alumina with a CaO-Al2O3-SiO2 glass-ceramic10.1111/jace.12310 ↗
10. Configurational constraints on glass formation in the liquid calcium aluminate system10.1088/1742-5468/ab47fc ↗
11. Diffraction study of calcium aluminate glasses and melts: I. High energy X-ray and neutron diffraction on glasses around the eutectic composition
12. Optical properties of hollow calcium aluminate glass waveguides10.1364/AO.33.003919 ↗
13. Ability in calcium aluminate-based systems10.1111/j.1151-2916.1993.tb03805.x ↗
14. Interplay between non-bridging oxygen, tri-clusters, and five-fold Al coordination in low silica content calcium aluminosilicate melts10.1063/1.4766920 ↗
15. Quantitative studies on local structure of molten binary potassium germanates10.1021/acs.inorgchem.2c04310 ↗
16. Relationships between properties and structure of aluminosilicate melts
17. Quantitative studies on the structure of the molten binary potassium molybdates by in situ raman spectroscopy and quantum chemistry ab initio calculations10.1021/acs.analchem.8b01470 ↗
18. Effect of TiO2 content on the structure of CaO-SiO2-TiO2 system by molecular dynamics simulation10.2355/isijinternational.53.1131 ↗
19. Structure and transport properties of FeO-TiO2 system through molecular dynamics simulations10.1016/j.jnoncrysol.2018.04.027 ↗
20. Structure and transport properties of FeO-TiO2-SiO2 systems: insights from molecular dynamics simulations10.1016/j.jnoncrysol.2021.121049 ↗
21. Structure analysis of CaO-SiO2-Al2O3-TiO2 slag by molecular dynamics simulation and FT-IR spectroscopy10.2355/isijinternational.54.734 ↗
22. Molecular dynamics studies of the vitreous state: simple ionic systems and silica10.1063/1.433213 ↗
23. Structure and viscosity properties of CaO-SiO2-Al2O3-FeO slags based on molecular dynamic simulation10.1016/j.jnoncrysol.2016.07.024 ↗
24. Thermal conduction mechanism based on microstructure transformations of molten slag: the role of calcium oxide10.1016/j.ijheatmasstransfer.2020.120167 ↗
25. Effects of temperature on the thermal conductivity of amorphous CaO-SiO2-Al2O3 slags: a computational insight10.1039/D0CP00382D ↗
26. Estimating the thermal conductivity of CaO-Al2O3-SiO2 slags by equilibrium molecular dynamics simulations10.1016/j.jnoncrysol.2019.119851 ↗
27. Thermal conductivity prediction and structure-property relationship of CaO-SiO2-Al2O3 ternary system: a combination of molecular dynamics simulations and machine learning10.1016/j.molliq.2020.114697 ↗
28. Effect of MnO content on slag structure and properties under different basicity conditions: a molecular dynamics study10.1016/j.molliq.2021.116304 ↗
29. A transferable interatomic potential model for crystals and melts in the system CaO-MgO-Al2O3-SiO210.1180/minmag.1994.58A.2.34 ↗
30. The structure of liquid calcium aluminates as investigated using neutron and high energy X-ray diffraction in combination with molecular dynamics simulation methods
31. Structure and dynamic properties of calcium aluminosilicate melts: a molecular dynamics study10.1063/1.4809523 ↗
32. Thermal properties of calcium aluminate xCaO-(1-x)Al2O3 glasses
33. Molecular dynamics simulation of the structure and properties for the CaO-SiO2 and CaO-Al2O3 systems10.1016/j.jnoncrysol.2014.12.030 ↗
34. Nonlinear composition dependence of molar volume of melts in the CaO-Al2O3-SiO2 system10.1016/0016-7037(95)00272-2 ↗
35. A molecular dynamics study of the atomic structure of (CaO)x-(Al2O3)1-x glass with x=0.625 close to the eutectic10.1088/0953-8984/18/19/021 ↗
36. Molecular dynamics simulations of calcium aluminate glasses10.1016/j.jnoncrysol.2006.02.013 ↗
37. The structure of aluminate glasses by neutron diffraction10.1016/S0022-3093(00)00208-8 ↗
38. Quantification of five and six-coordinated aluminum ions in aluminosilicate and fluoride-containing glasses by high-field, high-resolution 27Al NMR10.1016/S0022-3093(00)00270-2 ↗
39. Eden M · 2020
40. Reconsideration on Al coordination in CaO-SiO2-Al2O3-(R2O or RO) glasses by using high field solid-state 27Al NMR spectroscopy10.2355/isijinternational.51.333 ↗
41. Room temperature raman spectroscopy and 29Si MAS NMR combined with high temperature raman spectroscopy and DFT calculation of xMgO-(1-x)CaO-SiO2 glasses and melts10.1016/j.ceramint.2021.11.029 ↗
42. Quantitative studies on the microstructure of ternary CaO-Al2O3-SiO2 glasses by Raman spectroscopy, 27Al MAS NMR and quantum chemistry ab initio calculation10.1016/j.ceramint.2023.07.150 ↗
43. Environments around Al, Si, and Ca in aluminate and aluminosilicate melts by X-ray absorption spectroscopy at high temperature10.2138/am.2008.2646 ↗