Ab initio calculations of elastic properties of Pt-Sc alloys

• Elastic properties of substitutionally disordered Pt-rich Pt-Sc alloys and L1(2)-ordered Pt3Sc compound are derived from the first-principles calculations based on the exact muffin-tin orbitals (EMTO) method. We demonstrate that these alloys should exhibit a ductile behavior, which combined with relatively high melting temperature and strong cohesive properties make them a very promising candidate for high-temperature applications.

Ämnesord

TEKNIK OCH TEKNOLOGIER  -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)

ENGINEERING AND TECHNOLOGY  -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

NATURVETENSKAP  -- Fysik (hsv//swe)

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

Nyckelord

intermetallics

miscellaneous

elastic properties

ab initio

calculations

aero-engine components

furnace furniture

single-crystals

approximation

temperature

dependence

constants

platinum

energy

moduli

Physics

TECHNOLOGY

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