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Hydrated Cement Paste; C-S-H gel; Molecular Dynamics Method; Elastic Properties; Microporomechanics Study; Stress-Strain Behavior
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Nano-Scale Investigation Of Mechanical Characteristics Of Main Phases Of Hydrated Cement Paste, Shahin Hajilar
Nano-Scale Investigation Of Mechanical Characteristics Of Main Phases Of Hydrated Cement Paste, Shahin Hajilar
Masters Theses
Hydrated cement paste (HCP), which is present in various cement-based materials, includes a number of constituents with distinct nano-structures. The elastic properties of the HCP crystals are calculated using molecular dynamics (MD) methods. The accuracy of estimated values is verified by comparing them with the results from experimental tests and other atomistic simulation methods. The outcome of MD simulations is then extended to predict the elastic properties of the C-S-H gel by rescaling the values calculated for the individual crystals. To take into account the contribution of porosity, a detailed microporomechanics study is conducted on low- and high-density types of …