Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
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Surface energy and electron work function for polimorphyc modifications of titanium

I.G. Shebzukhova1, L.P. Aref`eva2

1 KabardinoBalkarian State University named after H.M. Berbekov
2 Don State Technical University

DOI: 10.26456/pcascnn/2023.15.288

Original article

Abstract: In this work, the surface energy of titanium crystal faces was estimated using theelectron-statistical method,  taking into account the contributions of the dispersion, polarization, and oscillation corrections. Using an analytical relationship, the values of the work function of close-packed faces of polymorphic modifications of titanium are calculated from the values of the surface energy of single crystals taking into account the crystal structure. The influence of polymorphic transformation and temperature on the anisotropy of the studied properties is shown. Based on the values of the surface and interfacial energies, which consist of the average configurational energy and the energy of chemical interaction of two parts of the metal, the cohesive energy of α- and β-titanium is estimated and its dependence on temperature is shown. On the example of tungsten-titanium and molybdenumtitanium systems, the fundamental possibility of calculating the change in the work function depending on the concentration of the surface-active component in bimetallic systems is shown, which makes it possible to predict the service life of the material.

Keywords: surface energy, electron work function, anisotropy, polymorphic modifications of titanium, cohesion energy

  • Irina G. Shebzukhova – Dr. Sc., Professor, Department of Theoretical and Experimental Physics, KabardinoBalkarian State University named after H.M. Berbekov
  • Ludmila P. Aref`eva – Dr. Sc., Docent, Department of Material Science and technology of metals, Don State Technical University


Shebzukhova, I.G. Surface energy and electron work function for polimorphyc modifications of titanium / I.G. Shebzukhova, L.P. Aref`eva // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2023. — I. 15. — P. 288-298. DOI: 10.26456/pcascnn/2023.15.288. (In Russian).

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