Systematic approach to thermophysical and mechanical properties of SiO2–B2O3–Na2O glasses using molecular dynamics simulations
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OpenAlex topics: Glass properties and applications · Material Dynamics and Properties · Luminescence Properties of Advanced Materials
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References (100+)
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1. Bansal · 1986
2. Stanworth · 1950
3. Zarzycky · 1982
4. Thermal expansion of binary borate glasses and their structure10.1023/A:1026351416382 ↗
5. Thermal expansion of high lead silicate glasses in relation to structure10.1016/0040-6031(83)80247-0 ↗
6. Chemical durability of some sodium borosilicate glasses improved by phase separation10.1111/j.1151-2916.1987.tb05004.x ↗
7. Thermal expansion of Alkali Borate glasses10.1111/j.1151-2916.1983.tb10023.x ↗
8. Comparison of methods used for the calculation of density, refractive index and thermal expansion of oxide glasses
9. Varshneya · 1994
10. SiO2–Na2O–B2O3 density: A comparison of experiments, simulations, and theory10.1016/j.jnoncrysol.2013.09.022 ↗
11. Influence of electronic irradiation on failure and hardness properties of pure silica glasses10.1016/j.mspro.2014.10.037 ↗
12. Barlet · 2014
13. Hardness and toughness of sodium borosilicate glasses via Vicker’s indentations10.1016/j.jnoncrysol.2015.02.005 ↗
14. 2019
15. Recent progress to understand stress corrosion cracking in sodium borosilicate glasses: Linking the chemical composition to structural, physical and fracture properties10.1088/1361-6463/aa7a8b ↗
16. Direct calculation of the physical properties of sodium borosilicate glass from its chemical composition using the concept of structural units10.1111/j.1551-2916.2011.04964.x ↗
17. Bulk, surface structures and properties of sodium borosilicate and boroaluminosilicate nuclear waste glasses from molecular dynamics simulations10.1016/j.jnoncrysol.2017.09.030 ↗
18. Effect of clayey groundwater on the dissolution rate of the simulated nuclear waste glass SON6810.1016/j.jnucmat.2011.10.026 ↗
19. Étude comparative par dynamique Moléculaire Des Effets Balistiques et de Trempes Thermique Dans Un Verre de Borosilicate de Sodium
20. Molecular dynamics study of structural changes versus deposited energy dose in a sodium borosilicate glass10.1016/j.nimb.2008.03.217 ↗
21. Molecular dynamics simulation of radiation damage in glasses10.1016/j.jnoncrysol.2011.02.026 ↗
22. Molecular dynamics simulation of ballistic effects in simplified nuclear waste glasses10.1016/j.jnoncrysol.2018.11.021 ↗
23. Structural study of Molten pseudo-binary B2O3–Na2O⋅SiO2 system by X-Ray diffraction and molecular dynamics simulation10.1016/S0022-3093(05)80568-X ↗
24. Structural study of Na2O–B2O3–SiO2 glasses from molecular simulations using a polarizable force field10.1063/1.4992799 ↗
25. Structural groups and their mixing in borosilicate glasses of various compositions — an NMR study10.1016/S0022-3093(99)00693-6 ↗
26. 11B NMR studies and structural modeling of Na2O–B2O3–SiO2 glasses of high soda content10.1016/0022-3093(83)90097-2 ↗
27. Structural models for borate glasses10.1016/0022-3093(85)90198-X ↗
28. Raman spectroscopic investigation of the structure of silicate glasses. III. Raman intensities and structural units in sodium silicate glasses10.1063/1.442472 ↗
29. Structural investigation of sodium borate glasses and melts by Raman spectroscopy. II. Conversion between BO4 and BO2O− units at high temperature10.1016/S0022-3093(03)00159-5 ↗
30. Raman spectroscopy study of pressure-induced structural changes in sodium borate glass10.1016/j.jnoncrysol.2016.04.023 ↗
31. Physical properties of phase separated soda-silica glasses10.1016/0022-3093(74)90041-6 ↗
32. Physical properties op phase separated glasses10.1016/S0022-3093(87)80100-X ↗
33. Physical properties of alkaline-earth and alkali borate glasses prepared over an extended range of compositions10.1016/S0022-3093(01)00768-2 ↗
34. Atomistic modeling approach to the thermodynamics of sodium silicate glasses10.1111/jace.17549 ↗
35. Direct measurements of homogeneous nucleation rates in a glass-forming system10.1063/1.1841027 ↗
36. Phase separation and chemical durability in the SiO2–B2O3–Na2O (SBN) glass system
37. Heat capacity of silicate glasses10.1016/0009-2541(87)90062-3 ↗
38. Calculation of the heat capacity of oxide glass-forming melts and evaluation of the heat capacity jump in the glass transition range from chemical composition10.1023/A:1012452132634 ↗
39. Configurational heat capacity and entropy of borosilicate melts10.1016/S0022-3093(96)00646-1 ↗
40. Heat capacities and entropies of silicate liquids and glasses10.1007/BF00381840 ↗
41. Heat capacities and thermal behavior of alkali borate glasses10.1016/0022-3093(71)90043-3 ↗
42. Heat capacity of sodium silicate glasses: Comparison of experiments with computer simulations
43. Molecular dynamics simulations of the structure and mechanical properties of silica glass using ReaxFF10.1007/s10853-016-0242-8 ↗
44. Properties calculations of silica-based glasses by atomistic simulations techniques: A review10.1021/jp9071263 ↗
45. Elastic and dynamical properties of alkali-silicate glasses from computer simulations techniques10.1007/s00214-008-0434-7 ↗
46. The elastic properties of the glasses in the systems R2O–B2O3–SiO2 (R=Na and K) and Na2O–B2O310.2109/jcersj1950.91.1053_199 ↗
47. Elastic-moduli of some mixed alkali borate glasses10.1007/BF01105668 ↗
48. Effect of sodium oxide modifier on structural and elastic properties of silicate glass10.1021/acs.jpcb.6b09664 ↗
49. Fracture toughness of silicate glasses: Insights from molecular dynamics simulations
50. Effect of phase separation on the fracture toughness of SiO2–B2O3–Na2O glass10.1007/BF02711236 ↗
51. Fracture in glass via molecular dynamics simulations and atomic force microscopy experiments
52. M. Barlet, J.-M. Delaye, D. Bonamy, C. Rountree, Understanding the Evolution of Mechanical Properties under Irradiation in Nuclear Glasses via Experiments, in: 13th International Conference on Fracture, Beijing, China, 2013, p. 7.10.1016/j.mspro.2014.10.037 ↗
53. The structure of glass: A phase equilibrium diagram approach10.1016/j.pmatsci.2013.12.001 ↗
54. Nuclear magnetic resonance studies of the glasses in the system Na2O–B2O3–SiO210.1016/0022-3093(78)90020-0 ↗
55. Comparative study of silicon empirical interatomic potentials10.1103/PhysRevB.46.2250 ↗
56. Development of empirical potentials for sodium borosilicate glass systems10.1016/j.jnoncrysol.2011.05.024 ↗
57. Modeling of the structure of sodium borosilicate glasses using pair potentials10.1021/jp3038126 ↗
58. Development of boron oxide potentials for computer simulations of multicomponent oxide glasses10.1111/jace.16082 ↗
59. A new transferable interatomic potential for molecular dynamics simulations of borosilicate glasses10.1016/j.jnoncrysol.2018.04.063 ↗
60. New optimization scheme to obtain interaction potentials for oxide glasses10.1063/1.5023707 ↗
61. New interaction potentials for borate glasses with mixed network formers10.1063/1.5142605 ↗
62. Improved empirical force field for multicomponent oxide glasses and crystals
63. B10 NMR studies of the structure of borate glasses10.1016/0022-3093(80)90400-7 ↗
64. The density of sodium borosilicate glasses related to atomic arrangements10.1016/0022-3093(90)90246-I ↗
65. 29Si MAS-NMR study of the short-range order in alkali borosilicate glasses10.1016/0022-3093(94)90540-1 ↗
66. A density model for the lithium, sodium and potassium borosilicate glass systems
67. The atomic arrangement in glass10.1021/ja01349a006 ↗
68. Fundamental condition of glass formation10.1111/j.1151-2916.1947.tb19654.x ↗
69. Shelby · 2005
70. Threefold coordinated oxygen atom in silica glass10.1016/S0022-3093(97)00140-3 ↗
71. Evolutions of molecular oxygen formation and sodium migration in Xe ion irradiated borosilicate glasses10.1016/j.jnoncrysol.2016.06.029 ↗
72. Analysis of molecular oxygen formation in irradiated glasses: A Raman depth profile study10.1016/j.jnucmat.2004.11.011 ↗
73. NMR evidence for five-coordinated silicon in a silicate glass at atmospheric pressure10.1038/351638a0 ↗
74. Local structures of MD-modeled vitreous silica and sodium silicate glasses10.1016/S0022-3093(01)00363-5 ↗
75. The structure of SiO2 — Current views10.1016/0272-8842(82)90009-8 ↗
76. The structural groups of alkali silicate glasses determined from 29Si MAS-NMR10.1016/0022-3093(91)90400-Z ↗
77. Change in boron coordination in alkali borate glasses, and mixed alkali effects, as elucidated by NMR10.1016/0022-3093(89)90425-0 ↗
78. Structure of borosilicate glasses and melts: A revision of the Yun, Bray and Dell model10.1016/j.jnoncrysol.2009.08.033 ↗
79. Glass structure10.1016/0022-3093(82)90280-0 ↗
80. Boroxol rings in liquid and vitreous B2O3 from first principles10.1103/PhysRevLett.101.065504 ↗
81. B11 nuclear magnetic resonance studies of Li2O–B2O3 glasses of high Li2O content10.1016/0022-3093(81)90025-9 ↗
82. Correction and addendum to nuclear magnetic-resonance studies of the glasses in the system Na2O–B2O3–SiO210.1016/0022-3093(79)90055-3 ↗
83. Modeling oxide glasses with Born–Mayer–Huggins potentials: Effect of composition on structural changes10.1016/S0022-3093(96)00604-7 ↗
84. Modelling borosilicate glasses of nuclear interest with the help of RMC, WAXS, neutron diffraction and 11B NMR10.1016/j.jnoncrysol.2013.12.021 ↗
85. A computer simulation study of natural silicate melts. Part II: High pressure properties10.1016/j.gca.2007.05.029 ↗
86. New interaction potentials for alkali and alkaline-earth aluminosilicate glasses10.1063/1.5079663 ↗
87. A theoretical interpretation of the chemical shift of Si29 NMR peaks in alkali borosilicate glasses10.1016/j.gca.2004.05.042 ↗
88. Leaching of borosilicate glasses. I. Experiments10.1016/j.jnoncrysol.2004.06.006 ↗
89. Molecular dynamics simulation of sodium borosilicate glasses10.1016/S0022-3093(01)00775-X ↗
90. First-principles study of a sodium borosilicate glass-former. II. The glass state
91. Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT-GIPAW calculations10.1111/jace.16655 ↗
92. Predicting boron coordination in multicomponent borate and borosilicate glasses using analytical models and machine learning10.1016/j.jnoncrysol.2020.120490 ↗
93. Predicting Young’s modulus of oxide glasses with sparse datasets using machine learning10.1016/j.jnoncrysol.2019.119643 ↗
94. Molecular dynamics simulation data set for SiO2–B2O3–Na2O glasses
95. Deshkar · 2023
96. Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r−1 summation10.1063/1.478738 ↗
97. Calculating electrostatic interactions using the particle- particle particle- mesh method with nonperiodic long-range interactions10.1021/jp9518623 ↗
98. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
99. A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble10.1088/0305-4470/39/19/S18 ↗
100. Study on the temperature dependence of the bulk modulus of polyisoprene by molecular dynamics simulations10.1080/08927020801993388 ↗