Abstract
Rankinite (3CaO·2SiO2, [C3S2]) is valued for its special properties in different environments. Understanding the properties of C3S2 is important for cement design. The lattice parameters, elastic constants and moduli, anisotropy, dynamical and thermal properties of C3S2 under 0–10 GPa was studied by first-principles method. The elastic properties, including bulk, shear and Young's moduli (B, G and E), Poisson's ratio v and hardness HV, thermal conductivity k was calculated from the elastic moduli. The anisotropy of materials can be described by elastic anisotropy index, three-dimensional (3D) surface structure and elastic modulus projection. The results show that C3S2 has anisotropic elasticity, and the degree of anisotropy increases with the increase of pressure. The dynamic properties of C3S2 under different pressures are also calculated and analyzed. At last, the thermodynamic properties of C3S2 at different pressures are predicted and evaluated in detail.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
