Zobrazeno 1 - 10
of 16
pro vyhledávání: '"I. Yu. Gotlib"'
Publikováno v:
Crystallography Reports. 67:937-943
Publikováno v:
Crystallography Reports. 64:407-412
A two-layer Zr0.8Sc0.2O1.9/Ce0.9Gd0.1O1.95 heterostructure has been modeled by the molecular dynamics method in a box containing about 27 thousand atoms. It is shown that this system retains on the whole the crystallographic characteristics of layers
Autor:
Alexey I. Victorov, I. Yu. Gotlib
Publikováno v:
Polymer Science, Series C. 60:95-105
Solutions of two cross-associating chain molecular species (n-chains and p-chains) containing both associative (“sticky”) and non-associative monomer links have been simulated by molecular dynamics. The inactive monomers increase the stickers’
Autor:
I. Yu. Gotlib, A. I. Victorov
Publikováno v:
Высокомолекулярные соединения С. 60:193-203
Autor:
I. Yu. Gotlib, Igor V. Murin, A. K. Ivanov-Schitz, Andrey V. Petrov, G. A. Romantsov, R. M. Zakalyukin
Publikováno v:
Physics of the Solid State. 56:1472-1482
A molecular dynamics simulation of solid tin(II) fluoride nanostructures formed in internal channels of single-walled carbon nanotubes (SWCNTs) has been performed using two types of model potentials—without and with inclusion of the polarization of
Publikováno v:
Physics of the Solid State. 53:2375-2384
Nanostructures formed upon filling single-walled carbon nanotubes of different diameters (ranging from 11.5 to 17.6 A) with silver bromide have been investigated using the molecular dynamics method. The results of molecular dynamics computer simulati
Publikováno v:
Solid State Ionics. 188:6-14
Filling of carbon single-wall nanotubes (SWNTs), of diameter d = 11.5–15 A, by silver iodide from the melt is modeled by molecular dynamics. Formation of AgI inorganic nanotube (INT) structures in the SWNTs on cooling, and ion diffusion in AgI with
Publikováno v:
Inorganic Materials. 46:1375-1383
Nanostructures resulting from the incorporation of silver iodide into single-wall carbon nanotubes (SWCNTs) of various diameters have been studied using molecular dynamics simulation. The results indicate the formation of single-wall silver iodide na
Publikováno v:
Polymer Science Series A. 51:583-592
Small systems composed of 10 molecules of poly-p-xylylene or a TiO2 cluster (rutile) surrounded by 10 molecules of poly-p-xylylene are modeled via the method of molecular dynamics. The thermodynamic characteristics, structure, and mobility of poly-p-
Publikováno v:
Computational Materials Science. 36:73-78
Ba1−xGdxF2+x, Sr1−xGdxF2+x, and Sr1−xLaxF2+x systems with fluorite-type structure (0