Molecular dynamics simulations of deformation and failure of TiAl alloys
Molecular dynamics simulations are done on materials as part of computational materials science in modelling actual materials without having to spend resources on actual experimentations. In this study, titanium aluminides in the phase of α2-Ti3Al and γ-TiAl are being put through different loadin...
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| Other Authors: | |
| Format: | Final Year Project (FYP) |
| Language: | English |
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Nanyang Technological University
2020
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| Online Access: | https://hdl.handle.net/10356/139160 |
| _version_ | 1811687829981364224 |
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| author | Ang, Elwin Wei Jian |
| author2 | Dong Zhili |
| author_facet | Dong Zhili Ang, Elwin Wei Jian |
| author_sort | Ang, Elwin Wei Jian |
| collection | NTU |
| description | Molecular dynamics simulations are done on materials as part of computational
materials science in modelling actual materials without having to spend resources on
actual experimentations. In this study, titanium aluminides in the phase of α2-Ti3Al
and γ-TiAl are being put through different loading conditions in a uniaxial direction,
under different temperatures and strain rates, to determine the change in the bulk
mechanical properties. The models are run through various simulations using
LAMMPS and the resulting deformations are viewed through Ovito. Some of the
findings include the mismatch in interatomic potentials when modelling certain phase
of titanium aluminides, and the differences in behaviour between both α2-Ti3Al and γ-
TiAl phases when subjected to the same conditions. The results of this study validate
the conclusions drawn in several other studies for γ-TiAl, and the results for α2-Ti3Al
may be used in further in-depth investigations. |
| first_indexed | 2024-10-01T05:22:32Z |
| format | Final Year Project (FYP) |
| id | ntu-10356/139160 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T05:22:32Z |
| publishDate | 2020 |
| publisher | Nanyang Technological University |
| record_format | dspace |
| spelling | ntu-10356/1391602024-04-09T02:32:38Z Molecular dynamics simulations of deformation and failure of TiAl alloys Ang, Elwin Wei Jian Dong Zhili School of Materials Science and Engineering Institute of High Performance Computing, A*STAR zldong@ntu.edu.sg Engineering::Materials::Compositional materials science Engineering::Materials::Mechanical strength of materials Molecular dynamics simulations are done on materials as part of computational materials science in modelling actual materials without having to spend resources on actual experimentations. In this study, titanium aluminides in the phase of α2-Ti3Al and γ-TiAl are being put through different loading conditions in a uniaxial direction, under different temperatures and strain rates, to determine the change in the bulk mechanical properties. The models are run through various simulations using LAMMPS and the resulting deformations are viewed through Ovito. Some of the findings include the mismatch in interatomic potentials when modelling certain phase of titanium aluminides, and the differences in behaviour between both α2-Ti3Al and γ- TiAl phases when subjected to the same conditions. The results of this study validate the conclusions drawn in several other studies for γ-TiAl, and the results for α2-Ti3Al may be used in further in-depth investigations. Bachelor of Engineering (Materials Engineering) 2020-05-16T12:04:57Z 2020-05-16T12:04:57Z 2020 Final Year Project (FYP) https://hdl.handle.net/10356/139160 en application/pdf Nanyang Technological University |
| spellingShingle | Engineering::Materials::Compositional materials science Engineering::Materials::Mechanical strength of materials Ang, Elwin Wei Jian Molecular dynamics simulations of deformation and failure of TiAl alloys |
| title | Molecular dynamics simulations of deformation and failure of TiAl alloys |
| title_full | Molecular dynamics simulations of deformation and failure of TiAl alloys |
| title_fullStr | Molecular dynamics simulations of deformation and failure of TiAl alloys |
| title_full_unstemmed | Molecular dynamics simulations of deformation and failure of TiAl alloys |
| title_short | Molecular dynamics simulations of deformation and failure of TiAl alloys |
| title_sort | molecular dynamics simulations of deformation and failure of tial alloys |
| topic | Engineering::Materials::Compositional materials science Engineering::Materials::Mechanical strength of materials |
| url | https://hdl.handle.net/10356/139160 |
| work_keys_str_mv | AT angelwinweijian moleculardynamicssimulationsofdeformationandfailureoftialalloys |