Thesis is Submitted in Partial Fulfillment of the ‎ Requirements for the Degree of Master of Civil Engineering - Structure‏ ‏

نوع: Type: Thesis

مقطع: Segment: masters

عنوان: Title: Thesis is Submitted in Partial Fulfillment of the ‎ Requirements for the Degree of Master of Civil Engineering - Structure‏ ‏

ارائه دهنده: Provider: alireza mousivand

اساتید راهنما: Supervisors: Dr. Amir Rezaei Sameti ‎

اساتید مشاور: Advisory Professors:

اساتید ممتحن یا داور: Examining professors or referees: Dr. Fereydoun Rezaei - Dr. Mojtaba Nili

زمان و تاریخ ارائه: Time and date of presentation: 2025

مکان ارائه: Place of presentation: دپارتمان عمران

چکیده: Abstract: Reinforced concrete is one of the most important composite materials in civil engineering, offering significant ‎improvements in the performance and durability of structures when combined with steel fibers. These fibers, ‎uniformly distributed within the concrete matrix, control microcracks and enhance properties such as tensile, ‎flexural, and impact strength. Advances in science and technology have enabled the production of ultra-thin ‎steel fibers at micro- and nanoscale dimensions. These nanoscale fibers, when uniformly dispersed in the ‎concrete matrix, improve the composite structure by modifying its microstructure, reducing overall porosity, ‎accelerating the formation of C-S-H gel, and increasing the Young's modulus, thereby enhancing the density ‎and quality of the cementitious composite. Considering the applications of thin steel fibers in concrete, this study ‎examines the mechanical behavior of these elements using molecular dynamics simulations. Generally, due to ‎the high reactivity of iron with oxygen, a thin oxide layer forms on the surface of steel fibers when exposed to ‎air. In the alkaline environment of concrete, the presence of hydroxide ions leads to the formation of a new iron ‎hydroxide layer on the fiber surface, that can significantly affect the mechanical behavior of these elements. ‎Therefore, in the modeling process, after constructing the initial structure, simulations of oxidation and ‎hydration processes on the surface of thin steel rods under various temperature conditions are performed. The ‎samples are subjected to environmental stabilization and energy minimization before undergoing various ‎mechanical tests. The results indicate an inverse relationship between fiber diameter and strength, which may ‎be attributed to the reduced surface-to-volume ratio with increasing diameter. Additionally, the formation of an ‎oxide layer on the steel fiber surface leads to a marked decrease in yield stress, and this decline becomes more ‎pronounced with an increase in the oxide layer thickness. However, for fibers with larger diameters, the ‎negative impact of the oxide layer on strength is less significant due to the lower surface-to-volume ratio. ‎Structural defects exhibit varying intensities of influence on the mechanical behavior of samples under ‎compressive and tensile tests. In compressive tests, severe stress drops are observed due to greater stress ‎concentration in defective areas. Moreover, temperature increases accelerate the oxidation process, resulting in ‎reduced strength and Young's modulus of the fibers. The findings reveal that the formation of a hydroxide ‎layer on the steel fiber surface significantly decreases stress levels. However, in samples with thicker oxide ‎layers subjected to hydration, the negative impact of hydroxide is less pronounced. Furthermore, with ‎increasing rod diameter and decreasing surface-to-volume ratio, the effect of hydroxide on stress reduction ‎diminishes considerably.‎