Adhesion, atomic structure, and bonding variation at TiN/VN interface by chemical segregation

Deqiang Yin, Xianghe Peng, Yi Qin, Zhongchang Wang

    研究成果: Article

    4 引用 (Scopus)

    抜粋

    Introduction of alloying elements often alters properties of materials. In the technologically significant multilayered superlattice coatings, interfaces are known to play a key role in the deformation mechanisms, especially in the phenomenon of interface-induced superhardness at nanoscale. Here, we elucidate, by first-principles calculations, atomic structure of TiN/VN interface and its relationship to adhesion upon introducing Cr, Mo, Ta, Y, Al, Nb, Zr, and Sc, the very commonly occurring alloying elements in the coating. We find that the elements Cr, Mo, Ta, Y weaken substantially interfacial adhesion, whereas the others modify adhesion only slightly. The bond length, charge transfer, and interactions between atoms at interface are found to be the key factors to understanding the origin of shift in properties in the coatings with the chemical alloying. Using several methods of analysis, we have clarified electronic mechanism behind the variation induced by alloying elements and determined the interfacial bonding nature to be mainly ionic with a certain degree of covalency. The theoretical calculations presented provide insight into the complex electronic properties of the TiN/VN interfaces with alloying elements. Our findings help enhance performances of the multilayered coatings for wide-ranging applications.

    元の言語English
    ページ(範囲)1261-1270
    ページ数10
    ジャーナルSurface and Interface Analysis
    44
    発行部数9
    DOI
    出版物ステータスPublished - 2012 9

    ASJC Scopus subject areas

    • Chemistry(all)
    • Condensed Matter Physics
    • Surfaces and Interfaces
    • Materials Chemistry
    • Surfaces, Coatings and Films

    フィンガープリント Adhesion, atomic structure, and bonding variation at TiN/VN interface by chemical segregation' の研究トピックを掘り下げます。これらはともに一意のフィンガープリントを構成します。

  • これを引用