Autor: Dendzik, Z. - Prolib Integro

Skocz do pozycji: 1.

Tytuł:: Elastic constants and analytic bond order potential for atomistic simulations of simple cubic tungsten trioxide
Autorzy:: Dendzik, Z.
Chrobak, D.
Nowak, R.
Tematy:: tungsten trioxide
DFT
elastic constans
bond-order potential; Pokaż więcej
Wydawca:: Politechnika Gdańska
Powiązania:: https://bibliotekanauki.pl/articles/1943224.pdf Link otwiera się w nowym oknie
Opis:: A set of elastic constants was calculated and a parametrization of the potential was derived for simple cubic tungsten trioxide based on an analytical bond-order scheme. It was show that the obtained parametrization provided a good description of interatomic forces and such properties as the lattice constant, the bulk modulus and the elastic constants.
Dostawca treści:: Biblioteka Nauki

Artykuł

Skocz do pozycji: 2.

Tytuł:: Stability of finite-size argon thin film coating single wall carbon nanotube
Autorzy:: Kośmider, M.
Dendzik, Z.
Żurek, S.
Górny, K.
Tematy:: nanotube
molecular dynamics
cluster
thin film; Pokaż więcej
Wydawca:: Politechnika Gdańska
Powiązania:: https://bibliotekanauki.pl/articles/1964139.pdf Link otwiera się w nowym oknie
Opis:: The structure and the dynamics of the argon thin film coating (15,4) and (12,12) carbon nanotubes have been studied in a series of molecular dynamic simulations. In the studied temperature regime, the argon atoms in the thin film were well localized. Structural changes and diffusion process inside the argon layers were not been observed. The influence of the chirality and the radius of the nanotube to the cluster properties is also reported.
Dostawca treści:: Biblioteka Nauki

Artykuł

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