Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach
An ab initio calculations have been carried out for examining the curvature effect of small diameter hexagonal boron nanotubes. The considered conformations of boron nanotubes are namely armchair (3,3), zigzag (5,0) and chiral (4,2), and consist of 12, 20, and 56 atoms, respectively. The strain ener...
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| Видавець: | Інститут фізики конденсованих систем НАН України |
|---|---|
| Дата: | 2013 |
| Автори: | , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2013
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/120822 |
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| Цитувати: | Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach / S.K. Jain, P. Srivastava // Condensed Matter Physics. — 2013. — Т. 16, № 3. — С. 33802:1-7 . — Бібліогр.: 46 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
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irk-123456789-1208222017-06-14T03:04:17Z Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach Jain, S.K. Srivastava, P. An ab initio calculations have been carried out for examining the curvature effect of small diameter hexagonal boron nanotubes. The considered conformations of boron nanotubes are namely armchair (3,3), zigzag (5,0) and chiral (4,2), and consist of 12, 20, and 56 atoms, respectively. The strain energy is evaluated in order to examine the curvature effect. It is found that the strain energy of hexagonal BNT strongly depends upon the radius, whereas the strain energy of triangular BNTs depends on both radius and chirality. Здiйснено першопринципнi обчислення для вивчення впливу кривизни малого дiаметра гексагональної борової нанотрубки. Розглянутi конформацiї борової нанотрубки є майже крiслоподiбними (armchair) (3,3), зигзагоподiбними (zigzag) (5,0) i хiральними (4,2), складаючись, вiдповiдно, з 12, 20 та 56 атомiв. Для того, щоб дослiдити вплив кривизни, оцiнено енергiю деформацiї. Знайдено, що енергiя деформацiї гексагональної борової нанотрубки строго залежить вiд радiуса, тодi як енергiя деформацiї трикутних борових нанотрубок залежить як вiд радiуса, так i вiд хiральностi. 2013 Article Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach / S.K. Jain, P. Srivastava // Condensed Matter Physics. — 2013. — Т. 16, № 3. — С. 33802:1-7 . — Бібліогр.: 46 назв. — англ. 1607-324X PACS: 31.15.A-, 06.30.Bp, 61.48.De, 62.25.-g, 71.15.Mb DOI:10.5488/CMP.16.33802 arXiv:1310.1237 http://dspace.nbuv.gov.ua/handle/123456789/120822 en Condensed Matter Physics Інститут фізики конденсованих систем НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| description |
An ab initio calculations have been carried out for examining the curvature effect of small diameter hexagonal boron nanotubes. The considered conformations of boron nanotubes are namely armchair (3,3), zigzag (5,0) and chiral (4,2), and consist of 12, 20, and 56 atoms, respectively. The strain energy is evaluated in order to examine the curvature effect. It is found that the strain energy of hexagonal BNT strongly depends upon the radius, whereas the strain energy of triangular BNTs depends on both radius and chirality. |
| format |
Article |
| author |
Jain, S.K. Srivastava, P. |
| spellingShingle |
Jain, S.K. Srivastava, P. Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach Condensed Matter Physics |
| author_facet |
Jain, S.K. Srivastava, P. |
| author_sort |
Jain, S.K. |
| title |
Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach |
| title_short |
Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach |
| title_full |
Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach |
| title_fullStr |
Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach |
| title_full_unstemmed |
Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach |
| title_sort |
strain energy calculations of hexagonal boron nanotubes: an ab-initio approach |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2013 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/120822 |
| citation_txt |
Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach / S.K. Jain, P. Srivastava // Condensed Matter Physics. — 2013. — Т. 16, № 3. — С. 33802:1-7 . — Бібліогр.: 46 назв. — англ. |
| series |
Condensed Matter Physics |
| work_keys_str_mv |
AT jainsk strainenergycalculationsofhexagonalboronnanotubesanabinitioapproach AT srivastavap strainenergycalculationsofhexagonalboronnanotubesanabinitioapproach |
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2023-10-18T20:38:13Z |
| last_indexed |
2023-10-18T20:38:13Z |
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1796150721510375424 |