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- 저자 : to Baben, Moritz (검색결과 1 건)
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Lapauw, Thomas,Tytko, Darius,Vanmeensel, Kim,Huang, Shuigen,Choi, Pyuck-Pa,Raabe, Dierk,Caspi, El’ad N.,Ozeri, Offir,to Baben, Moritz,Schneider, Jochen M.,Lambrinou, Konstantina,Vleugels, Jozef American Chemical Society 2016 Inorganic Chemistry Vol.55 No.11
<P>The solubility of zirconium (Zr) in the Nb<SUB>4</SUB>AlC<SUB>3</SUB> host lattice was investigated by combining the experimental synthesis of (Nb<SUB><I>x</I></SUB>, Zr<SUB>1–<I>x</I></SUB>)<SUB>4</SUB>AlC<SUB>3</SUB> solid solutions with density functional theory calculations. High-purity solid solutions were prepared by reactive hot pressing of NbH<SUB>0.89</SUB>, ZrH<SUB>2</SUB>, 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 Nb<SUB>4</SUB>AlC<SUB>3</SUB> 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 (Nb<SUB>0.85</SUB>, Zr<SUB>0.15</SUB>)<SUB>4</SUB>AlC<SUB>3</SUB> 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 (Nb<SUB>0.85</SUB>, Zr<SUB>0.15</SUB>)<SUB>4</SUB>AlC<SUB>3</SUB> were investigated and compared to those of pure Nb<SUB>4</SUB>AlC<SUB>3</SUB>. Quite remarkably, an appreciable increase in fracture toughness was observed from 6.6 ± 0.1 MPa/m<SUP>1/2</SUP> for pure Nb<SUB>4</SUB>AlC<SUB>3</SUB> to 10.1 ± 0.3 MPa/m<SUP>1/2</SUP> for the (Nb<SUB>0.85</SUB>, Zr<SUB>0.15</SUB>)<SUB>4</SUB>AlC<SUB>3</SUB> solid solution.</P><P>The solubility of Zr in nanolaminated (Nb<SUB>1−<I>x</I></SUB>, Zr<SUB><I>x</I></SUB>)<SUB>4</SUB>AlC<SUB>3</SUB> is investigated. Experimentally, a maximum at <I>x</I> = 18.5% is found, which is consistent with a minimum in the calculated energy of mixing at low Zr contents. The mechanical behavior of this solid solution shows a significant improvement in fracture toughness and temperature stability compared to those of Nb<SUB>4</SUB>AlC<SUB>3</SUB>.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/inocaj/2016/inocaj.2016.55.issue-11/acs.inorgchem.6b00484/production/images/medium/ic-2016-00484u_0007.gif'></P>
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