Theory of ultrathin films at metal-ceramic interfaces

• A theoretical model for understanding the formation of interfacial thin films is presented, which combines density functional theory calculations for interface energies with thermodynamic modeling techniques for multicomponent bulk systems. The theory is applied to thin film formation in VC-doped WC-Co cemented carbides. It is predicted that ultrathin VC films may exist in WC/Co interfaces at the high temperature sintering conditions where most of the WC grain growth occurs, which provides an explanation of the grain growth inhibiting effect of VC additions in the WC-Co system.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

grain growth inhibitors

first-principles calculations

interface energy

cemented carbides

interface structure

Publikations- och innehållstyp

art (ämneskategori)

ref (ämneskategori)