The Adhesive Properties of Coherent and Semicoherent NiAl/V Interfaces Within the Peierls-Nabarro Model

Abstract

Abstract:The work of adhesion and the interface energy of NiAl/V coherent interface systems have been investigated using first-principles methods. The adhesion of the Ni-terminated interface is larger than the Al-terminated interface. The difference in charge density and the density of states show that the Ni-terminated interface is dominated by metallic bonds, and the Al-terminated interface is dominated by metallic and covalent bonds. To account for the effects of misfit dislocations on the semicoherent interfaces, the Peierls-Nabarro model combined with generalized stacking fault energy is employed to determine the interface energy. It is found that misfit dislocations can reduce the adhesion of the interface, and the reduction increases with the maximum of the restoring force.

A simple descriptor for energetics at fcc-bcc metal interfaces

“…These energies are not directly accessible experimentally. Thorough studies have been performed at the level of first-principles calculations on selected solid-solid interfaces, focusing on various aspects such as the film thickness [4], orientation [7], magnetoresistance [11], magnetic anisotropy [12] ferromagnetic moments [13], as well as electronic [14][15][16][17], mechanical [18][19][20][21], and thermodynamic [22][23][24][25][26] properties. Notwithstanding Email address: linda.zotti@uam.es (Linda A. Zotti 1,2 ) the detailed nature of these analyses, they were quite often mostly focused on a very few materials.…”

Adhesion of thin metallic layers on Au surfaces

“…Learning to control the stability of metallic interfaces is important for a number of applications in industry, including transistors, catalysis and reflectors, as well as for the development of solders, heat-dissipation problems in electronic devices, friction, lubrication, manipulation of material properties, plasmonics and mirrors [1][2][3][4][5][6][7][8][9][10][11]. Various physical factors need to be taken into account, such as the orientation of the crystal structure, magnetism, electronic, mechanical and thermodynamic properties [12][13][14][15][16][17][18][19][20]. A key property that has been found to be critical for adhesion is the layer thickness.…”

Адгезия на границе раздела Ta(Mo)/NiTi

“…где θ -контактный угол, который может быть измерен в эксперименте. Для теоретических оценок более удобной, как показано в [9], является формула [7,8,[11][12][13][14][15][16][17][18]. В целом в системах с ионно-ковалентным типом химической связи на границах раздела достигается большая адгезия, чем на границах с металлическим типом связи.…”