Investigation of Nano Scale Cementite Workability by Using Molecular Dynamics Simulation, Ph.D. Dissertation Sharif University of Technology ; Karimi Taheri, Ali (Supervisor)
Abstract
In this study, the nano-scale deformation mechanism of cementite was investigated with aid of Molecular dynamics (MD) simulation using MEAM potential. For this purpose, flow localization was evaluated in various structures such as single crystal cementite, nanocrystalline (NC) cementite, and lamellar cementite at various temperatures and different stress conditions. In order to understand the deformation mechanism in the cementite single crystal, two cylindrical samples with 15 nm length and 5 nm diameter oriented along [001] and [011] were constructed. The result of tensile test simulation at 100 K, 300 K, 700 K and 1100 K revealed that the deformation mechanism in single crystal cementite...
Cataloging briefInvestigation of Nano Scale Cementite Workability by Using Molecular Dynamics Simulation, Ph.D. Dissertation Sharif University of Technology ; Karimi Taheri, Ali (Supervisor)
Abstract
In this study, the nano-scale deformation mechanism of cementite was investigated with aid of Molecular dynamics (MD) simulation using MEAM potential. For this purpose, flow localization was evaluated in various structures such as single crystal cementite, nanocrystalline (NC) cementite, and lamellar cementite at various temperatures and different stress conditions. In order to understand the deformation mechanism in the cementite single crystal, two cylindrical samples with 15 nm length and 5 nm diameter oriented along [001] and [011] were constructed. The result of tensile test simulation at 100 K, 300 K, 700 K and 1100 K revealed that the deformation mechanism in single crystal cementite...
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