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First Principles Method for Complex Cement Structure and High Entropy Alloys
(2021)
). One part of this work is to investigate TiNbTaZrMo HEAs as a key model compare its properties with 12 bcc HEAs. In this study porosity models were also constructed to reduce the Young modulus for biomedical applications. The second part is to examine...
Structure and Mechanical Properties of Cement and Intermetallic Compounds via ab-initio Simulations
(2015)
Calcium silicate hydrates comprise a class of minerals formed synthetically during Portland cement hydration or naturally through various geological processes. The importance of these minerals is immense since they are the ...