Details
Originalsprache | Englisch |
---|---|
Seiten (von - bis) | 119-123 |
Seitenumfang | 5 |
Fachzeitschrift | ChemPhysChem |
Jahrgang | 10 |
Ausgabenummer | 1 |
Frühes Online-Datum | 7 Jan. 2009 |
Publikationsstatus | Veröffentlicht - 12 Jan. 2009 |
Abstract
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).
ASJC Scopus Sachgebiete
- Physik und Astronomie (insg.)
- Atom- und Molekularphysik sowie Optik
- Chemie (insg.)
- Physikalische und Theoretische Chemie
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in: ChemPhysChem, Jahrgang 10, Nr. 1, 12.01.2009, S. 119-123.
Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review
}
TY - JOUR
T1 - Origins of material failure in siloxane elastomers from first principles
AU - Lupton, Elizabeth M.
AU - Achenbach, Frank
AU - Weis, Johann
AU - Bräuchle, Christoph
AU - Frank, Irmgard
PY - 2009/1/12
Y1 - 2009/1/12
N2 - 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).
AB - 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).
KW - Density functional calculations
KW - Materials science
KW - Mechanical properties
KW - Molecular dynamics
KW - Polymers
UR - http://www.scopus.com/inward/record.url?scp=58149485669&partnerID=8YFLogxK
U2 - 10.1002/cphc.200800094
DO - 10.1002/cphc.200800094
M3 - Article
C2 - 19016295
AN - SCOPUS:58149485669
VL - 10
SP - 119
EP - 123
JO - ChemPhysChem
JF - ChemPhysChem
SN - 1439-4235
IS - 1
ER -