Structural, electronic, and mechanical properties of calcium aluminate cements: Insight from first-principles theory
Chongchong Qi, Dino Spagnoli, Andy Fourie
Topics & Concepts
AluminateDensity functional theoryMaterials scienceAtom (system on chip)CalciumShear modulusBulk modulusCrystallographyCementChemistryComposite materialComputational chemistryMetallurgyEmbedded systemComputer scienceAdvanced ceramic materials synthesisNuclear materials and radiation effectsConcrete and Cement Materials Research