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Wyszukujesz frazę "02.70.Ns" wg kryterium: Temat


Wyświetlanie 1-2 z 2
Tytuł:
Mesomorphic Properties and Computer Simulation of Guanazole Derivatives and Their Mixtures
Autorzy:
Moskvin, D.
Sotsky, V.
Danilova, E.
Kudayarova, T.
Smirnova, A.
Usol'tseva, N.
Powiązania:
https://bibliotekanauki.pl/articles/1192351.pdf
Data publikacji:
2015-04
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
02.70.Ns
65.90.+i
Opis:
An investigation of the mesomorphic properties of 3,5-diamino-1-dodecyl-1,2,4-triazole and 3-amino-1,5-dodecyl-1,2,4-triazole binary mixture in the ratio of 1:0.75 (four molecules of the first compound and three of the second) was performed. By means of polarizing optical microscopy, it was discovered that the experimentally obtained binary mixture possesses enantiotropic mesomorphic properties (SmA phase). With the help of the molecular dynamics simulation of both individual triazole derivatives and their binary mixture, it was shown that the SmA-mesophase is caused by the presence of the di-dodecyl substituted triazole derivative.
Źródło:
Acta Physica Polonica A; 2015, 127, 4; 950-952
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
On the Possibility to Control an Atom Motion in a FCC Iron Nanocluster
Autorzy:
Bondarenko, N.
Nedolya, A.
Powiązania:
https://bibliotekanauki.pl/articles/1030620.pdf
Data publikacji:
2018-02
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
02.70.Ns
07.05.Pt
36.40.-c
61.46.Hk
61.46.Bc
Opis:
The energy of the isolated iron nanocluster was calculated by molecular mechanics method using the Lennard-Jones potential depending on the position of impurity carbon atom and substitutional atoms of nickel. The cluster included a carbon atom, that drifted from an inside octahedral interstice to a direction ⟨022⟩ to the surface directly or to a tetrahedral interstice in ⟨1̅11⟩ direction and after that in ⟨222⟩ direction to the surface. In addition one of 14 iron atoms was replaced by a nickel atom (or pair atoms), the position of which was changing during simulation. It is shown that there were positions of a nickel atom that significantly affected nanoclusters energy. The calculation results indicated that position of a carbon atom in the octahedral interstice was more energetically favorable than tetrahedral interstice in the case of fcc nanocluster. On the other side, the potential barrier was smaller in the direction ⟨1̅11⟩ than in the direction ⟨022⟩. This indicates that there are two ways for carbon atom to drift to the surface of the nanocluster. The positions of nickel atoms were identified, which significantly affected the height of potential barriers of a tetrahedral and an octahedral interstice and determined the possible direction of carbon atoms drift. This allows manipulating atoms at the surface of nanocluster.
Źródło:
Acta Physica Polonica A; 2018, 133, 2; 277-279
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-2 z 2

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