Please use this identifier to cite or link to this item:
http://essuir.sumdu.edu.ua/handle/123456789/30248
Or use following links to share this resource in social networks:
Tweet
Recommend this item
Title | Algorithm for Realistic Modeling of Graphitic Systems |
Authors |
Khomenko, Oleksii Vitaliiovych
![]() Prodanov, N.V. |
ORCID |
http://orcid.org/0000-0001-8755-9592 |
Keywords |
Molecular dynamics Graphite Covalent bonds Dispersion interaction Parallel computing |
Type | Article |
Date of Issue | 2011 |
URI | http://essuir.sumdu.edu.ua/handle/123456789/30248 |
Publisher | Сумський державний універстет |
License | Copyright not evaluated |
Citation | A.V. Khomenko, N.V. Prodanov, J.Nano- Electron. Phys. 3 No2, (2011) |
Abstract |
An algorithm for molecular dynamics simulations of graphitic systems using realistic semiempirical interaction potentials of carbon atoms taking into account both short-range and long-range contributions is proposed. Results of the use of the algorithm for a graphite sample are presented. The scalability of the algorithm depending on the system size and the number of processor cores involved in the calculations is analyzed.
When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/30248 |
Appears in Collections: |
Журнал нано- та електронної фізики (Journal of nano- and electronic physics) |
Views

1

1

1

1

12

2

3178936

554533

1

40731069

3

1

1

1

2

16480

1

1

1

14

603534444

1

285502

1

1

3

717314493

358706665

-645707211

739025169

554531
Downloads

1221188236

262

264

1

1

267856497

1

1

214491

1

-645707212

-1419313817

1
Files
File | Size | Format | Downloads |
---|---|---|---|
Khomenko A.V._Algorithm.pdf | 1.8 MB | Adobe PDF | -575761273 |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.