Zobrazeno 1 - 10
of 27
pro vyhledávání: '"V. Yu. Trubitsin"'
Autor:
E. B. Dolgusheva, V. Yu. Trubitsin
Publikováno v:
Physics of the Solid State. 60:837-846
The dynamic and thermal properties of nanostructured materials based on aluminum with the periodic inclusions of Ti or Zr clusters have been investigated by the method of molecular dynamics. The elastic moduli, spectral vibrational densities of state
Study of size effects in structural transformations of bcc Zr films by molecular-dynamics simulation
Autor:
V. Yu. Trubitsin, E. B. Dolgusheva
Publikováno v:
Computational Materials Science. 84:23-30
The effect of the film thickness and temperature on structural phase transformations in infinite films of bcc zirconium with (0 0 1) crystallographic orientation is studied by the molecular dynamics method with a many-body potential of interatomic in
Autor:
E. B. Dolgusheva, V. Yu. Trubitsin
Publikováno v:
Physics of the Solid State. 52:1238-1247
The influence of the shape and size of nanocrystals on the lattice relaxation of body-centered cubic metals (zirconium, iron) at a constant temperature has been investigated using the molecular dynamics method with the many-body interatomic interacti
Molecular dynamics investigation of the size effect upon the β → α transformation in Zr nanocrystals
Autor:
V. Yu. Trubitsin, E. B. Dolgusheva
Publikováno v:
Physics of the Solid State. 51:2497-2504
The stability of the β phase in cubic zirconium nanoparticles has been calculated as a function of the size r (r varies in the range from 2.5 to 11.5 nm) by the molecular dynamics method with the many-body interatomic interaction potential obtained
Autor:
E. B. Dolgusheva, V. Yu. Trubitsin
Publikováno v:
Physics of the Solid State. 49:126-135
The pressure and temperature dependences of the frequencies of a strongly anharmonic longitudinal and a transverse vibrational mode with wave vector k = (2/3)(1, 1, 1) in β-Zr are studied. The frequencies are calculated by solving a set of stochasti
Autor:
V. Yu. Trubitsin, E. B. Dolgusheva
The peculiarities of thermal expansion of $bcc$ and $fcc$ zirconium films with (100) and (110) crystallographic orientations are studied at a constant zero pressure by the molecular dynamics (MD) method with a many-body interatomic interaction potent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::14c77c507a417f399b54d2cbdb8e268a
http://arxiv.org/abs/1503.06123
http://arxiv.org/abs/1503.06123
Autor:
V. Yu. Trubitsin, S. Ostanin
Publikováno v:
High Pressure Research. 17:369-374
The full-potential linear muffin-tin orbitals (FP-LMTO) method is used to calculate the total energy and equilibrium lattice properties for the observed phases of Hf. The temperature and pressure dependences of the Gibbs energy are found for these st
Publikováno v:
Scopus-Elsevier
The effective potentials for the E2g,-phonon at the T point of the Brillouin zone of hep Zr, the transverse N- and longitudinal L-phonons of bcc Zr are calculated for different pressures by the “frozen phonon” method. The temperature and pressure
Publikováno v:
Scopus-Elsevier
The effective potentials for the E2g-phonon at the Γ point of the Brillouin zone of hcp Zr and the transverse N phonon of bcc Zr are calculated for different pressures by the frozen-phonon method. The temperature and pressure dependences of the phon
Autor:
S. Ostanin, V. Yu. Trubitsin
Publikováno v:
Computational Materials Science. 17:174-177
The FP-LMTO method is used to calculate the total energy and equilibrium lattice properties for the observed phases of hafnium (Hf). The temperature dependences of the Gibbs energy are found for these structures within the Debye model. A quantitative