2016
DOI: 10.2320/matertrans.m2015471
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<i>Ab-Initio</i> Study of Electronic Structure of Martensitic Twin Boundary in Ni<sub>2</sub>MnGa Alloy

Abstract: The electronic structure of (110) and (011) martensitic twin boundary in Ni 2 MnGa alloys has been calculated by using ab initio method within the density-functional theory (DFT) and the supercell implementation. The calculated results show that the energy for the (110) twin boundary is larger than that for another twin due to their difference in the chemical decomposition and crystal structure. The atomic relaxation lowers the interface energies for both (110) and (011) twins and this kind of energy is still … Show more

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Cited by 2 publications
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“…Several DFT studies have investigated GB segregation in metals, e.g., in Ni [ 31 ], Ti [ 32 ], and Fe [ 33 ]. Other studies have focused on studying GB energies in alloys, e.g., in NiTi [ 34 ], Ti-Mo and Ti-V alloys [ 35 ], and in the ternary Ni 2 MnGa [ 36 ], and Ni-Al-Co systems [ 37 ]. Some studies have also investigated GB segregation in alloys, e.g., in Cu-Ag [ 38 ], various binary V alloys [ 39 ], and in the ternary Mg-Zn-Y [ 40 ] and FeCrNi [ 41 ] alloys.…”
Section: Introductionmentioning
confidence: 99%
“…Several DFT studies have investigated GB segregation in metals, e.g., in Ni [ 31 ], Ti [ 32 ], and Fe [ 33 ]. Other studies have focused on studying GB energies in alloys, e.g., in NiTi [ 34 ], Ti-Mo and Ti-V alloys [ 35 ], and in the ternary Ni 2 MnGa [ 36 ], and Ni-Al-Co systems [ 37 ]. Some studies have also investigated GB segregation in alloys, e.g., in Cu-Ag [ 38 ], various binary V alloys [ 39 ], and in the ternary Mg-Zn-Y [ 40 ] and FeCrNi [ 41 ] alloys.…”
Section: Introductionmentioning
confidence: 99%