Mechanical properties of Ni-based solid solution alloys: A first principles study
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| Format: | Artículo científico |
| Langue: | en |
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Universidad Nacional Autónoma de México
2017
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| _version_ | 1876431916972900352 |
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| author | Ashish Pathak |
| author_facet | Ashish Pathak |
| contents | Mechanical properties of Ni-based solid solution alloys: A first principles study Ashish Pathak Ashok Kumar Singh Ingeniería Ni based alloys Lattice constat Formation energy Elastic constants Present work describes the structural stability and mechanical properties of Ni-based binary and ternary alloys. These alloys have been evaluated using first principles density functional theory (DFT) within generalized gradient approximation (GGA). The equilibrium lattice constant values of the phase in these alloys are in good agreement with the experimental data obtained by X-ray diffraction. The values of formation energy per atom of the ternary alloys are considerably lower than the Ni–16Cr binary alloy. These alloys satisfy the mechanical stability criteria in terms of elastic constants and possess ductile behaviour based on shear to bulk ratios. 2017 artículo científico 1665-6423 https://www.redalyc.org/articulo.oa?id=47453722005 https://www.redalyc.org/journal/474/47453722005/ https://www.redalyc.org/journal/474/47453722005/html/ https://www.redalyc.org/journal/474/47453722005/47453722005.epub https://www.redalyc.org/journal/474/47453722005/movil en http://www.redalyc.org/revista.oa?id=474 Journal of Applied Research and Technology application/pdf Universidad Nacional Autónoma de México Journal of Applied Research and Technology (México) Num.5 Vol.15 |
| format | Artículo científico |
| id | redalyc_47453722005 |
| institution | Redalyc |
| language | en |
| publishDate | 2017 |
| publisher | Universidad Nacional Autónoma de México |
| spellingShingle | Mechanical properties of Ni-based solid solution alloys: A first principles study Ashish Pathak Ingeniería Ni based alloys Lattice constat Formation energy Elastic constants Mechanical properties of Ni-based solid solution alloys: A first principles study Ashish Pathak Ashok Kumar Singh Ingeniería Ni based alloys Lattice constat Formation energy Elastic constants Present work describes the structural stability and mechanical properties of Ni-based binary and ternary alloys. These alloys have been evaluated using first principles density functional theory (DFT) within generalized gradient approximation (GGA). The equilibrium lattice constant values of the phase in these alloys are in good agreement with the experimental data obtained by X-ray diffraction. The values of formation energy per atom of the ternary alloys are considerably lower than the Ni–16Cr binary alloy. These alloys satisfy the mechanical stability criteria in terms of elastic constants and possess ductile behaviour based on shear to bulk ratios. 2017 artículo científico 1665-6423 https://www.redalyc.org/articulo.oa?id=47453722005 https://www.redalyc.org/journal/474/47453722005/ https://www.redalyc.org/journal/474/47453722005/html/ https://www.redalyc.org/journal/474/47453722005/47453722005.epub https://www.redalyc.org/journal/474/47453722005/movil en http://www.redalyc.org/revista.oa?id=474 Journal of Applied Research and Technology application/pdf Universidad Nacional Autónoma de México Journal of Applied Research and Technology (México) Num.5 Vol.15 |
| title | Mechanical properties of Ni-based solid solution alloys: A first principles study |
| topic | Ingeniería Ni based alloys Lattice constat Formation energy Elastic constants |
| url | https://www.redalyc.org/articulo.oa?id=47453722005 https://www.redalyc.org/journal/474/47453722005/ https://www.redalyc.org/journal/474/47453722005/html/ https://www.redalyc.org/journal/474/47453722005/47453722005.epub https://www.redalyc.org/journal/474/47453722005/movil |