Abstract
AbstractMAX phase solid solutions physical and mechanical properties may be tuned via changes in composition, giving them a range of possible technical applications. In the present study, we extend the MAX phase family by synthesizing (Zr1−xTix)3AlC2 quaternary MAX phases and investigating their mechanical properties using density functional theory (DFT). The experimentally determined lattice parameters are in good agreement with the lattice parameters derived by DFT and deviate <0.5% from Vegard's law. Ti3AlC2 has a higher Vickers hardness as compared to Zr3AlC2, in agreement with the available experimental data.
Highlights
Mn+1AXn phases (n=integer, M=early transition metal; A=group 13-16 element and X=C or N) were initially investigated in the 1960s,1 the interest of the community was captured by a study on the remarkable properties of Ti3SiC2 nearly two decades ago.[2,3] Mn+1AXn phases exhibit the P63/mmc space group.[1,2] The first (n=1) and second (n=2) members of the family are known as the 211 and 312 MAX phases respectively
X-ray diffraction (XRD) peaks corresponding to 211 MAX phases were detected in the targeted compositions Zr2.5Ti0.5AlC2, Zr2TiAlC2, Zr1.5Ti1.5AlC2, and ZrTi2AlC2, which suggests the possibility of obtaining solid solutions in the 211 system and this will be the subject of a further study
For Zr1.5Ti1.5AlC2 and ZrTi2AlC2 the deviations were greater: Zr1.5Ti1.5AlC2 was low in Ti as the composition (Zr0.56Ti0.44)3AlC2 was determined by energy-dispersive spectroscopy (EDS) and ZrTi2AlC2 was found with an excess of Ti ((Zr0.20Ti0.80)3AlC2 measured)
Summary
Mn+1AXn phases (n=integer, M=early transition metal; A=group 13-16 element and X=C or N) were initially investigated in the 1960s,1 the interest of the community was captured by a study on the remarkable properties of Ti3SiC2 nearly two decades ago.[2,3] Mn+1AXn phases exhibit the P63/mmc (no. 194) space group.[1,2] The first (n=1) and second (n=2) members of the family are known as the 211 and 312 MAX phases respectively. Mn+1AXn phases (n=integer, M=early transition metal; A=group 13-16 element and X=C or N) were initially investigated in the 1960s,1 the interest of the community was captured by a study on the remarkable properties of Ti3SiC2 nearly two decades ago.[2,3] Mn+1AXn phases exhibit the P63/mmc Numerous MAX phases were synthesized that shared these metallic and ceramic properties (good machinability, high melting temperature, high thermal shock resistance, high elastic stiffness, high thermal, and electrical conductivity), effectively motivating their technological application.[2,3,4,5] The key for the metallic and ceramic properties is the structure that consists of the stacking of Mn+1Xn “ceramic” layer(s) interleaved by an A “metallic” layer.[2,3,4,5]
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