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Design of exceptionally strong and conductive Cu alloys beyond the conventional speculation via the interfacial energy-controlled dispersion of γ-Al2O3 nanoparticles.

Han SZ, Kim KH, Kang J, Joh H, Kim SM, Ahn JH, Lee J, Lim SH, Han B - Sci Rep (2015)

Bottom Line: In this paper, we demonstrate that these contradictory material properties can be improved simultaneously if the interfacial energies of heterogeneous interfaces are carefully controlled.We uniformly disperse γ-Al2O3 nanoparticles over Cu matrix, and then we controlled atomic level morphology of the interface γ-Al2O3//Cu by adding Ti solutes.Furthermore, the Ti removes impurities (O and Al) in the Cu matrix by forming oxides leading to recovery of the electrical conductivity of pure Cu.

View Article: PubMed Central - PubMed

Affiliation: Structural Materials Division, Korea Institute of Materials Science, Changwon, 51508, Korea.

ABSTRACT
The development of Cu-based alloys with high-mechanical properties (strength, ductility) and electrical conductivity plays a key role over a wide range of industrial applications. Successful design of the materials, however, has been rare due to the improvement of mutually exclusive properties as conventionally speculated. In this paper, we demonstrate that these contradictory material properties can be improved simultaneously if the interfacial energies of heterogeneous interfaces are carefully controlled. We uniformly disperse γ-Al2O3 nanoparticles over Cu matrix, and then we controlled atomic level morphology of the interface γ-Al2O3//Cu by adding Ti solutes. It is shown that the Ti dramatically drives the interfacial phase transformation from very irregular to homogeneous spherical morphologies resulting in substantial enhancement of the mechanical property of Cu matrix. Furthermore, the Ti removes impurities (O and Al) in the Cu matrix by forming oxides leading to recovery of the electrical conductivity of pure Cu. We validate experimental results using TEM and EDX combined with first-principles density functional theory (DFT) calculations, which all consistently poise that our materials are suitable for industrial applications.

No MeSH data available.


Related in: MedlinePlus

Thermodynamically stable interface structures for the Cu matrix and γ-Al2O3 nanoparticles with and without Ti solutes captured by first principles DFT calculations.In (a) Cu(111)/Al2O3(111), Cu(111)/Al2O3 + Ti(111), (b) Cu(100)/Al2O3(100), Cu(100)/Al2O3 + Ti(100), and (c) Cu(110)/Al2O3(110), Cu(100)/Al2O3 + Ti(110).
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f7: Thermodynamically stable interface structures for the Cu matrix and γ-Al2O3 nanoparticles with and without Ti solutes captured by first principles DFT calculations.In (a) Cu(111)/Al2O3(111), Cu(111)/Al2O3 + Ti(111), (b) Cu(100)/Al2O3(100), Cu(100)/Al2O3 + Ti(100), and (c) Cu(110)/Al2O3(110), Cu(100)/Al2O3 + Ti(110).

Mentions: Using first-principles DFT calculations, we validated the experimental observations of the multifunctionality of Cu alloys dispersed with Ti-soluted γ–Al2O3 nanoparticles. We created model systems of γ–Al2O3//Cu to simulate interface structures of (100), (110) and (111) facets (Fig. 7). Table 2 provides our DFT results demonstrating that Ti thermodynamically prefers to partially substitute for Al in the (100)γ–Al2O3//(100)Cu and the (110)γ–Al2O3//(110)Cu but not in the (111)γ–Al2O3//(111)Cu interfaces. To evaluate the thermodynamic stability of each structure, we calculated the interfacial decohesion energy, Wde, defined in Eq. (1):


Design of exceptionally strong and conductive Cu alloys beyond the conventional speculation via the interfacial energy-controlled dispersion of γ-Al2O3 nanoparticles.

Han SZ, Kim KH, Kang J, Joh H, Kim SM, Ahn JH, Lee J, Lim SH, Han B - Sci Rep (2015)

Thermodynamically stable interface structures for the Cu matrix and γ-Al2O3 nanoparticles with and without Ti solutes captured by first principles DFT calculations.In (a) Cu(111)/Al2O3(111), Cu(111)/Al2O3 + Ti(111), (b) Cu(100)/Al2O3(100), Cu(100)/Al2O3 + Ti(100), and (c) Cu(110)/Al2O3(110), Cu(100)/Al2O3 + Ti(110).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4663622&req=5

f7: Thermodynamically stable interface structures for the Cu matrix and γ-Al2O3 nanoparticles with and without Ti solutes captured by first principles DFT calculations.In (a) Cu(111)/Al2O3(111), Cu(111)/Al2O3 + Ti(111), (b) Cu(100)/Al2O3(100), Cu(100)/Al2O3 + Ti(100), and (c) Cu(110)/Al2O3(110), Cu(100)/Al2O3 + Ti(110).
Mentions: Using first-principles DFT calculations, we validated the experimental observations of the multifunctionality of Cu alloys dispersed with Ti-soluted γ–Al2O3 nanoparticles. We created model systems of γ–Al2O3//Cu to simulate interface structures of (100), (110) and (111) facets (Fig. 7). Table 2 provides our DFT results demonstrating that Ti thermodynamically prefers to partially substitute for Al in the (100)γ–Al2O3//(100)Cu and the (110)γ–Al2O3//(110)Cu but not in the (111)γ–Al2O3//(111)Cu interfaces. To evaluate the thermodynamic stability of each structure, we calculated the interfacial decohesion energy, Wde, defined in Eq. (1):

Bottom Line: In this paper, we demonstrate that these contradictory material properties can be improved simultaneously if the interfacial energies of heterogeneous interfaces are carefully controlled.We uniformly disperse γ-Al2O3 nanoparticles over Cu matrix, and then we controlled atomic level morphology of the interface γ-Al2O3//Cu by adding Ti solutes.Furthermore, the Ti removes impurities (O and Al) in the Cu matrix by forming oxides leading to recovery of the electrical conductivity of pure Cu.

View Article: PubMed Central - PubMed

Affiliation: Structural Materials Division, Korea Institute of Materials Science, Changwon, 51508, Korea.

ABSTRACT
The development of Cu-based alloys with high-mechanical properties (strength, ductility) and electrical conductivity plays a key role over a wide range of industrial applications. Successful design of the materials, however, has been rare due to the improvement of mutually exclusive properties as conventionally speculated. In this paper, we demonstrate that these contradictory material properties can be improved simultaneously if the interfacial energies of heterogeneous interfaces are carefully controlled. We uniformly disperse γ-Al2O3 nanoparticles over Cu matrix, and then we controlled atomic level morphology of the interface γ-Al2O3//Cu by adding Ti solutes. It is shown that the Ti dramatically drives the interfacial phase transformation from very irregular to homogeneous spherical morphologies resulting in substantial enhancement of the mechanical property of Cu matrix. Furthermore, the Ti removes impurities (O and Al) in the Cu matrix by forming oxides leading to recovery of the electrical conductivity of pure Cu. We validate experimental results using TEM and EDX combined with first-principles density functional theory (DFT) calculations, which all consistently poise that our materials are suitable for industrial applications.

No MeSH data available.


Related in: MedlinePlus