Molecular Characterizations and Simulations of Construction Materials

Dear Colleagues,

The intricate interplay between diverse material sources and an array of environmental factors underscores the need to create construction materials with enhanced durability. Nonetheless, conventional mechanical assessments applied to construction edifices reveal inherent deficiencies in comprehending the fundamental mechanisms governing material behaviors and devising innovative multifunctional materials. In contemporary times, the concept of a multiscale evaluation framework has gained considerable traction, facilitating a comprehensive appraisal of material performance spanning the nanoscale, mesoscale, and macroscale domains. Notably, the realm of molecular-scale characterizations and simulations has progressively assumed a pivotal role in the evaluation and advancement of construction materials.

This Special Issue serves as a conduit for amassing current cutting-edge research centered around the bedrock of molecular-level experimental revelations and outputs from atomic-level simulations, encompassing a diverse spectrum of construction materials, including, but not limited to, asphalt, concrete, steel, geopolymer, and bio-based masses. Studies elucidating the evolution of construction materials throughout their entire service life, encompassing phenomena such as aging, deterioration, and avenues for performance enhancement or rejuvenation stand as a cornerstone of this collection. The overarching objective resides in facilitating a nuanced understanding through a comparative analysis of molecular-scale evaluations and simulations across a gamut of construction materials. This collective endeavor is poised to propel the evolution of a robust multiscale evaluation framework, thereby ushering in a new epoch in the realm of construction materials.

Dr. Shisong Ren
Dr. Georgios Pipintakos
Dr. Katerina Varveri
Guest Editors

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• construction materials
• molecular characterization
• molecular simulation
• multiscale performance evaluation
• fundamental analysis