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Theoretical investigations on the elastic and thermodynamic properties of Ti2AlC0.5N0.5 solid solution |
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| Authors: | Y.L. Du Z.M. Sun H. Hashimoto |
| Affiliation: | a Materials Research Institute for Sustainable Development, National Institute of Advanced Industrial Science and Technology (AIST), Nagoya 463-8560, Japan b Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China c Department of Materials Science and Engineering, Drexel University, Philadelphia, PA 19104, USA |
| Abstract: | We have performed theoretical studies on the elastic and thermodynamic properties of the solid solution: Ti2AlC0.5N0.5. The lattice parameters, elastic constants, bulk, shear, Young's moduli, Poisson's ratio and Debye temperature were calculated and compared with those of the end members, Ti2AlC and Ti2AlN. The temperature dependence of the bulk moduli, thermal expansion coefficient and specific heats of Ti2AlC0.5N0.5 were obtained from the quasi-harmonic Debye model. The calculated elastic and thermodynamic properties were compared with experimental data. |
| Keywords: | 71.20.-b 62.20.D- 81.05.Je |
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