A platform for research: civil engineering, architecture and urbanism
A platform for research: civil engineering, architecture and urbanism
Structural, mechanical, and reactivity properties of tricalciumaluminate using first-principles calculations
Although tricalcium aluminate (C3A) is one of the most important components of Portland cement, neither its reactivity nor its elastic moduli tensor have been fully determined yet. This work aims to shed some insights on these questions by means of ab-initio simulations. First our simulations have reproduced the details of its crystalline structure. Second, we have computed the full elastic moduli tensor of C3A, where we found that our value for the Young modulus (E = 138.7 GPa) is in agreement with the values obtained by nanoindentation measurements. Finally, we have identified which atoms and sites are more suitable to surfer chemical attacks.
Structural, mechanical, and reactivity properties of tricalciumaluminate using first-principles calculations
Although tricalcium aluminate (C3A) is one of the most important components of Portland cement, neither its reactivity nor its elastic moduli tensor have been fully determined yet. This work aims to shed some insights on these questions by means of ab-initio simulations. First our simulations have reproduced the details of its crystalline structure. Second, we have computed the full elastic moduli tensor of C3A, where we found that our value for the Young modulus (E = 138.7 GPa) is in agreement with the values obtained by nanoindentation measurements. Finally, we have identified which atoms and sites are more suitable to surfer chemical attacks.
Structural, mechanical, and reactivity properties of tricalciumaluminate using first-principles calculations
Strukturelle, mechanische und reaktive Eigenschaften von Tricalciumaluminat, beurteilt mit ab-initio-Rechnungen
Manzano, Hegoi (author) / Dolado, Jorge S. (author) / Ayuela, Andres (author)
Journal of the American Ceramic Society ; 92 ; 897-902
2009
6 Seiten, 5 Bilder, 3 Tabellen, 29 Quellen
Article (Journal)
English
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