Electronic Theses and Dissertations

Date of Award


Document Type


Degree Name

M.S. in Engineering Science


Civil Engineering

First Advisor

Ahmed Al-Ostaz

Second Advisor

Arunachalam M. Rajendran

Relational Format



The following is a summary of research for a portion of the project titled Nano to Continuum Multi-Scale Modeling Techniques and Analysis For Cementitious Materials Under Dynamic Loading in association with North Carolina Agricultural & Technical State University and the US Army. This research investigates several attempts at creating a better Portland cement model at the atomistic level through molecular dynamics simulations. These models are modified to simulate damage to the basic cement structure, and are simulated using several combinations of forcefields and molecular dynamics tools. Experimental techniques such as nanoindentation, atomic force microscopy, and x-ray diffraction are applied to Portland cement samples to correlate mechanical properties among these techniques, as well as the numerical simulations.



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