On the interatomic interaction potential that describes bond weakening in classical molecular-dynamic modelling

2014 ◽  
Vol 81 (5) ◽  
pp. 254 ◽  
Author(s):  
V. P. Lipp ◽  
D. S. Ivanov ◽  
B. Rethfeld ◽  
M. E. Garcia
Author(s):  
С.Ш. Рехвиашвили ◽  
М.М. Бухурова

AbstractA theoretical model describing the stability of a carbon nano-onion in the presence of a bulk catalytic graphite phase is constructed based on the continuum approximation of interatomic interaction potential and mechanics of deformed systems. It is shown that a carbon nano-onion becomes unstable when its radius exceeds double value of the radius of a fullerene C_60 molecule.


2021 ◽  
Vol 91 (12) ◽  
pp. 1901
Author(s):  
П.Ю. Бабенко ◽  
А.Н. Зиновьев

The results of calculating nuclear stopping in the semiclassical approximation for the systems H-Be, H-C, H-W, O-C, O-Be, O-Al are presented. It was found that in the presence of a well in the interatomic interaction potential, an additional maximum appears in the dependence of the nuclear stopping on the energy of the bombarding particles. When using the universal potential without a well, this feature is absent. It is shown that by scaling the data obtained for systems with hydrogen are recalculated for collisions with the participation of hydrogen isotopes D and T. The results obtained are in good agreement with classical calculations, which is explained by the fact that large scattering angles make the main contribution to the nuclear stopping, and the applicability criterion changes to the condition: angular momentum ℓ >> 1.


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