Mechanical properties of Ni-based solid solution alloys: A first principles study
Abstract 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 g 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.
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| Main Authors: | , |
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| Format: | Digital revista |
| Language: | English |
| Published: |
Universidad Nacional Autónoma de México, Instituto de Ciencias Aplicadas y Tecnología
2017
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| Online Access: | http://www.scielo.org.mx/scielo.php?script=sci_arttext&pid=S1665-64232017000500449 |
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