(Nbx, Zr1-x)4AlC3 MAX Phase Solid Solutions: Processing, Mechanical Properties, 
and Density Functional Theory Calculations

Lapauw, Thomas; Tytko, Darius; Vanmeensel, Kim; Huang, Shuigen; Choi, Pyuck-Pa; Raabe, Dierk; Caspi, El’ad N.; Ozeri, Offir; To Baben, Moritz; Schneider, Jochen Michael; Lambrinou, Konstantina; Vleugels, Jozef

doi:10.1021/acs.inorgchem.6b00484

Datensatz

DATENSATZ AKTIONENEXPORT

Zur Ablage hinzufügen

Lokale TagsFreigabegeschichteDetailsÜbersicht

Freigegeben

Zeitschriftenartikel

(Nbx, Zr_1-x)₄AlC₃ MAX Phase Solid Solutions: Processing, Mechanical Properties, and Density Functional Theory Calculations

MPG-Autoren

/persons/resource/persons125439

Tytko, Darius
Atom Probe Tomography, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125088

Choi, Pyuck-Pa
Atom Probe Tomography, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125330

Raabe, Dierk
Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons136867

Schneider, Jochen Michael
Materials Chemistry, RWTH Aachen and Max-Planck-Fellow Group, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society Düsseldorf;

Externe Ressourcen

Es sind keine externen Ressourcen hinterlegt

Volltexte (beschränkter Zugriff)

Für Ihren IP-Bereich sind aktuell keine Volltexte freigegeben.

Volltexte (frei zugänglich)

Es sind keine frei zugänglichen Volltexte in PuRe verfügbar

Ergänzendes Material (frei zugänglich)

Es sind keine frei zugänglichen Ergänzenden Materialien verfügbar

Zitation

Lapauw, T., Tytko, D., Vanmeensel, K., Huang, S., Choi, P.-P., Raabe, D., et al. (2016). (Nbx, Zr_1-x)₄AlC₃ MAX Phase Solid Solutions: Processing, Mechanical Properties, and Density Functional Theory Calculations. Inorganic Chemistry, 55(11), 5445-5452. doi:10.1021/acs.inorgchem.6b00484.

Zitierlink: https://hdl.handle.net/21.11116/0000-0001-B4F6-E

Zusammenfassung

The solubility of zirconium (Zr) in the Nb4AlC3 host lattice was investigated by combining the experimental synthesis of (Nbx, Zr1-x)4AlC3 solid solutions with density functional theory calculations. High-purity solid solutions were prepared by reactive hot pressing of NbH0.89, ZrH2, Al, and C starting powder mixtures. The crystal structure of the produced solid solutions was determined using X-ray and neutron diffraction. The limited Zr solubility (maximum of 18.5 of the Nb content in the host lattice) in Nb4AlC3 observed experimentally is consistent with the calculated minimum in the energy of mixing. The lattice parameters and microstructure were evaluated over the entire solubility range, while the chemical composition of (Nb0.85, Zr0.15)4AlC3 was mapped using atom probe tomography. The hardness, Young's modulus, and fracture toughness at room temperature as well as the high-temperature flexural strength and E-modulus of (Nb0.85, Zr0.15)4AlC3 were investigated and compared to those of pure Nb4AlC3. Quite remarkably, an appreciable increase in fracture toughness was observed from 6.6 ± 0.1 MPa/m1/2 for pure Nb4AlC3 to 10.1 ± 0.3 MPa/m1/2 for the (Nb0.85, Zr0.15)4AlC3 solid solution. © 2016 American Chemical Society.