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Study of Melting and Rapid Solidification of TiAl alloy and Formation of its Diffusion Bonded Structure using Molecular Dynamics Simulation

Yazdan Yar, Azade | 2013

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 45103 (07)
  4. University: Sharif University of Technology
  5. Department: Materials Science and Engineering
  6. Advisor(s): Aashuri, Hossin; Simchi, Abdolreza
  7. Abstract:
  8. The rapid pace of development of nanoscience and nanotechnology and their applications in various fields have made the study of materials in smaller scales more important than any time ever. Having an insight of materials’ microstructure and the mechanism of different phenomena in the atomic scale will be very beneficent in designing new and advanced materials or modifying the current manufacturing processes. Since molecular dynamics (MD) method has been well known as a mean of studying materials in atomic scale, it has been used in this study to investigate two different phenomena. The selection of the appropriate interatomic potential is of great importance in MD; Embedded Atom Method (EAM) interatomic potential has been used in this study in order to simulate atomic interactions among Al and Ti atoms. In the first part, melting, rapid solidification and remelting of TiAl particles in different sizes have been studied. Investigations showed that the melting point depression effect happens for this alloy, too. The effect of cooling rate and particles’ size on the glass temperature were also investigated. Remelting particles with different diameters showed that crystallization depends on the particle size. In the second part, diffusion bonding of Ti and Al sheets was studied using two different approaches. In the first approach, the temperature of the system was first increased to 550 and 700 K and then the simulation box was deformed under three different strain rates. In the second approach, increasing the temperature to two aforementioned quantities and deforming the simulation box was done simultaneously. Results revealed that temperature will facilitate the diffusion and increase the thickness of the interface only if the strain rate is higher than a critical quantity
  9. Keywords:
  10. Molecular Dynamics ; Aluminum ; Titanium ; Melting ; Rapid Solidification

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