An attempt toward the generalized Langevin dynamics simulation
An attempt to generalize the Langevin dynamics simulation method is presented based on the generalized Langevin theory of liquids, in which the dynamics of both solute and solvent is treated by the generalized Langevin equations, but the integration of the equation of motion of solute is made in t...
Збережено в:
| Дата: | 2008 |
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| Автори: | , , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2008
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/119006 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | An attempt toward the generalized Langevin dynamics simulation / B. Kim, S.-H. Chong, R. Ishizuka, F. Hirata // Condensed Matter Physics. — 2008. — Т. 11, № 1(53). — С. 179-190. — Бібліогр.: 12 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
irk-123456789-119006 |
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dspace |
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irk-123456789-1190062017-06-04T03:03:09Z An attempt toward the generalized Langevin dynamics simulation Kim, B. Chong, S.-H. Ishizuka, R. Hirata, F. An attempt to generalize the Langevin dynamics simulation method is presented based on the generalized Langevin theory of liquids, in which the dynamics of both solute and solvent is treated by the generalized Langevin equations, but the integration of the equation of motion of solute is made in the manner similar to the ordinary molecular dynamics simulation with discretized time steps along a trajectory. A preliminary result is derived based on an assumption of the uniform solvent density. The result is regarded to be a microscopic generalization of the phenomenological Langevin theory for the harmonic oscillator immersed in a continuum solvent developed by Wang and Uhlenbeck. Представлено спробу узагальнити метод моделювання ланжевенiвської динамiки на основi узагальненої ланжевенiвської теорiї рiдин, в яких динамiка i домiшки i розчинника розглядається узагальненими рiвняннями Ланжевена, але iнтегрування рiвнянь руху домiшки робиться подiбним чином до звичайного методу молекулярної динамiки з дискретизованим часовим кроком вздовж траєкторiї. Отримано попереднiй результат, що грунтується на припущеннi однорiдної густини розчинника. Результат трактується як мiкроскопiчне узагальнення феноменологiчної ланжевенiвської теорiї для гармонiчного осцилятора, помiщеного у суцiльне середовище розчинника, що розроблялась Ванґом та Уленбеком. 2008 Article An attempt toward the generalized Langevin dynamics simulation / B. Kim, S.-H. Chong, R. Ishizuka, F. Hirata // Condensed Matter Physics. — 2008. — Т. 11, № 1(53). — С. 179-190. — Бібліогр.: 12 назв. — англ. 1607-324X PACS: 60 DOI:10.5488/CMP.11.1.179 http://dspace.nbuv.gov.ua/handle/123456789/119006 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 attempt to generalize the Langevin dynamics simulation method is presented based on the generalized
Langevin theory of liquids, in which the dynamics of both solute and solvent is treated by the generalized
Langevin equations, but the integration of the equation of motion of solute is made in the manner similar to
the ordinary molecular dynamics simulation with discretized time steps along a trajectory. A preliminary result
is derived based on an assumption of the uniform solvent density. The result is regarded to be a microscopic
generalization of the phenomenological Langevin theory for the harmonic oscillator immersed in a continuum
solvent developed by Wang and Uhlenbeck. |
| format |
Article |
| author |
Kim, B. Chong, S.-H. Ishizuka, R. Hirata, F. |
| spellingShingle |
Kim, B. Chong, S.-H. Ishizuka, R. Hirata, F. An attempt toward the generalized Langevin dynamics simulation Condensed Matter Physics |
| author_facet |
Kim, B. Chong, S.-H. Ishizuka, R. Hirata, F. |
| author_sort |
Kim, B. |
| title |
An attempt toward the generalized Langevin dynamics simulation |
| title_short |
An attempt toward the generalized Langevin dynamics simulation |
| title_full |
An attempt toward the generalized Langevin dynamics simulation |
| title_fullStr |
An attempt toward the generalized Langevin dynamics simulation |
| title_full_unstemmed |
An attempt toward the generalized Langevin dynamics simulation |
| title_sort |
attempt toward the generalized langevin dynamics simulation |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2008 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/119006 |
| citation_txt |
An attempt toward the generalized Langevin dynamics simulation / B. Kim, S.-H. Chong, R. Ishizuka, F. Hirata // Condensed Matter Physics. — 2008. — Т. 11, № 1(53). — С. 179-190. — Бібліогр.: 12 назв. — англ. |
| series |
Condensed Matter Physics |
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2023-10-18T20:33:34Z |
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2023-10-18T20:33:34Z |
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