Origins of Material Failure in Siloxane Elastomers from First Principles

Origins of Material Failure in Siloxane Elastomers from First Principles

Material failure under tensile stress limits the range of technical applications of siloxane materials. By using first‐principles simulations, the authors show that a single siloxane chain can tolerate high mechanical load, but once it is broken, the resulting ions easily attack neighboring chains,...

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Veröffentlicht in:Chemphyschem 2009-01, Vol.10 (1), p.119-123
Hauptverfasser: Lupton, Elizabeth M., Achenbach, Frank, Weis, Johann, Bräuchle, Christoph, Frank, Irmgard
Format: Artikel
Sprache:eng
Schlagworte:
Applied sciences
Composites
density functional calculations
Elastomers - chemistry
Exact sciences and technology
Forms of application and semi-finished materials
materials science
mechanical properties
Microscopy, Atomic Force
Models, Chemical
Molecular Conformation
molecular dynamics
Polymer industry, paints, wood
polymers
Siloxanes - chemistry
Technology of polymers
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Beschreibung
Zusammenfassung:Material failure under tensile stress limits the range of technical applications of siloxane materials. By using first‐principles simulations, the authors show that a single siloxane chain can tolerate high mechanical load, but once it is broken, the resulting ions easily attack neighboring chains, thus destabilizing the network (see figure; Si: grey, O: red, C: black, H: gold).
ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.200800094