Topological analysis of the structure of self-irradiated sodium borosilicate glass

Journal of Non-Crystalline Solids

Volumn 358, Issue 24, 2012, Pages 3427-3432

  Dewan, Leslie ^a   Hobbs, Linn W ^a   Delaye, Jean Marc ^b  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b Research Department of Mining and Fuel Recycling ProCesses   (France)

Author keywords

Borosilicate glass; Molecular dynamics; Nuclear waste glass; Self irradiation; Topology

Indexed keywords

ATOMIC DISPLACEMENT; BETA DECAY; COLLISION CASCADE; GLASS NETWORK; GLASS STRUCTURE; HIGH-LEVEL NUCLEAR WASTES; LOCAL CLUSTER; MOLECULAR DYNAMICS SIMULATIONS; NETWORK TOPOLOGY; NUCLEAR WASTE GLASS; SELF-IRRADIATION; SIMULATED RADIATION; SODIUM BOROSILICATE GLASS; STRUCTURAL CHANGE; TIME-SCALES; TOPOLOGICAL ANALYSIS; TOPOLOGICAL DESCRIPTION;

ATOMS; BOROSILICATE GLASS; COMPUTER SIMULATION; ELECTRIC NETWORK TOPOLOGY; IRRADIATION; MOLECULAR DYNAMICS; NUCLEAR REACTIONS; RADIATION CHEMISTRY; SODIUM;

TOPOLOGY;

EID: 84869501695     PISSN: 00223093     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnoncrysol.2012.04.033     Document Type: Conference Paper

References (23)

1. M.I. Ojovan, and W.E. Lee An Introduction to Nuclear Waste Immobilisation 2005 Elsevier
2. W.J. Weber, R.C. Ewing, C.A. Angell, G.W. Arnold, A.N. Cormack, J.M. Delaye, D.L. Griscom, L.W. Hobbs, A. Navrotsky, and D.L. Price Radiation effects in glasses used for immobilization of high-level waste and plutonium disposition J. Mater. Res. 12 1997 1948 1978
3. L.W. Hobbs, and M.R. Pascucci Radiolysis and defect structure in electron irradiated α-quartz J. Phys. 41 C6 1980 237 242
4. L.W. Hobbs, F.W. Clinard Jr., S.J. Zinkle, and R.C. Ewing Radiation effects in ceramics J. Nucl. Mater. 216 1994 291 321
5. Linn W. Hobbs Topological approaches to the structure of crystalline and amorphous atom assemblies Juan J. Novoa, Dario Braga, Lia Addadi, Engineering of Crystalline Materials Properties: State of the Art in Modeling, Design and Applications 2008 Springer London 193 230
6. L.W. Hobbs, C.E. Jesurum, V. Pulim, and B. Berger Local topology of silica networks Philos. Mag. A. 78 1998 679 711
7. L.W. Hobbs, C. Esther Jesurum, and Bonnie Berger The topology of silica networks, [Chapter 1] J.-P. Duraud, R.A.B. Devine, E. Dooryhee, Structure and Imperfections in Amorphous and Crystalline Silica 2000 John Wiley & Sons London 1 47
8. 2 and Related Dielectrics: Science and Technology 2000 Kluwer Dordrecht, Netherlands 37 71
9. Xianglong Yuan, Vinay Pulim, and Linn W. Hobbs Molecular dynamics refinement of topologically generated reconstruction of simulated irradiation cascades in silica networks J. Nucl. Mater. 289 5 2001 71 79 (Erratum: J. Nucl. Mater. 295 (2001) 132)
10. X. Yuan, and A.N. Cormack Local structures of MD-modeled vitreous silica and sodium silicate glasses J. Non-Cryst. Solids 283 2001 69 87
11. Matthieu Micoulaut, Xianglong Yuan, and Linn W. Hobbs Coordination and intermediate-range order alterations in densified germania J. Non-Cryst. Solids 353 2007 1961 1965
12. C.E. Jesurum, V. Pulim, and L.W. Hobbs Topological modeling of amorphized tetrahedral ceramic network structures J. Nucl. Mater. 253 1998 87 103
13. X. Yuan, and L.W. Hobbs Modeling chemical and topological disorder in irradiation-amorphized silicon carbide Nucl. Instrum. Methods Phys. Res., Sect. B 191 2002 74 82
14. Henry R. Foxhall, Molecular dynamics and topological modeling of radiation damage in zirconolite as a candidate for plutonium disposition in nuclear waste, Ph.D. thesis, Sheffield University, UK, 2009.
15. 7), a potential plutonium wasteform medium, by molecular dynamics simulation and topological analysis, S.M. Thesis, Massachusetts Institute of Technology. Cambridge, MA, 2008.
16. H.R. Foxhall, L.W. Hobbs, K.P. Travis, S.L. Owens, S.C. Rich. Topological connectivity analysis of radiation damage and the metamict state in zirconolite, submitted for publication to: Philos. Mag. A.
17. J.M. Delaye, and D. Ghaleb Dynamic processes during displacement cascades in oxide glasses: a molecular-dynamics study Phys. Rev. B 61 2000 14481
18. J.M. Delaye, and D. Ghaleb Combining two types of molecular dynamics for rapid computation of high-energy displacement cascades. I. Description of the method Phys. Rev. B 71 2005 224203
19. J.M. Delaye, and D. Ghaleb Combining two types of molecular dynamics for rapid computation of high-energy displacement cascades. II. Application of the method to a 70-keV cascade in a simplified nuclear glass Phys. Rev. B 71 2005 224204
20. W. Smith The DL-POLY Molecular Simulation Package 2012 Computational Science and Enngineering Department, STFC Daresbury Laboratory Daresbury, Cheshire, UK
21. Yano, N. Kunimine, S. Shibata, and M. Yamane Structural investigation of sodium borate glasses and melts by Raman spectroscopy: I. Qualitative evaluation of structural units J. Non-Cryst. Solids 32 2003 137 146
22. -] units at high temperature J. Non-Cryst. Solids 32 2003 147 156
23. Linn W. Hobbs, C. Esther Jesurum, and Bonnie Berger Rigidity constraints in the amorphization of singly- and multiply-polytopic structures P.M. Duxbury, M.F. Thorpe, Rigidity Theory and Applications 1999 Plenum Press New York 191 216