Print Email Facebook Twitter Elementary mechanisms governing the dynamics of silica Title Elementary mechanisms governing the dynamics of silica Author Mousseau, N. Barkema, G.T. De Leeuw, S.W. Faculty Applied Sciences Department Computational Physics Date 2000-01-08 Abstract A full understanding of glasses requires an accurate atomistic picture of the complex activated processes that constitute the low-temperature dynamics of these materials. To this end, we generate over five thousand activated events in a model silica glass, using the activation–relaxation technique; these atomistic mechanisms are analyzed and classified according to their activation energies, their topological properties and their spatial extent. We find that these are collective processes, involving ten to hundreds of atoms with a continuous range of activation energies; that diffusion and relaxation occurs through the creation, annihilation and motion of single dangling bonds; and that silicon and oxygen have essentially the same diffusivity. Subject glasssilicon compoundsdangling bondsmolecular dynamics method To reference this document use: http://resolver.tudelft.nl/uuid:b4f1e164-b519-4793-a0d4-c6bfe25aca56 DOI https://doi.org/10.1063/1.480621 Publisher American Institute of Physics ISSN 0021-9606 Source http://link.aip.org/link/JCPSA6/v112/i2/p960/s1 Source Journal of Chemical Physics, 112 (2), 2000 Part of collection Institutional Repository Document type journal article Rights (c) 2000 The Author(s); American Institute of Physics Files PDF Mousseau_2000.pdf 81.78 KB Close viewer /islandora/object/uuid:b4f1e164-b519-4793-a0d4-c6bfe25aca56/datastream/OBJ/view