Molecular dynamics simulation of self-assembling
文献类型：期刊论文
| 作者 | Deng Pingye; Zhang Donghai; Tian Yajun; Chen Yunfa; Ding Hui |
| 刊名 | PROGRESS IN CHEMISTRY
 |
| 出版日期 | 2007-09-01 |
| 卷号 | 19期号:9页码:1249-1257 |
| 关键词 | molecular dynamics simulation self-assembly frequency dependent specific heat |
| ISSN号 | 1005-281X |
| 其他题名 | Prog. Chem. |
| 中文摘要 | The current research about self-assembly by the means of molecular dynamics simulation is briefly reviewed in this paper. Both the methods of computational modeling and the visual representation of simulating results are briefly described respectively, coupling with their applications in certain topics. Based on the analyzing and discussing of the contributions of previous research, unclosed problems of molecular dynamics simulating self-assembly are proposed. The natural linkage of self-assembly with phase transition or with fluctuation indeed gives the clue of heading path, and consequently, the reports of oscillation in self-assembly and study of frequency dependent specific heat are also presented in this paper. Therefore the idea that inspecting the oscillating parameters with respect to frequency dependent specific heat might be helpful to understand the process of self-assembly and computer simulations is proposed. |
| 英文摘要 | The current research about self-assembly by the means of molecular dynamics simulation is briefly reviewed in this paper. Both the methods of computational modeling and the visual representation of simulating results are briefly described respectively, coupling with their applications in certain topics. Based on the analyzing and discussing of the contributions of previous research, unclosed problems of molecular dynamics simulating self-assembly are proposed. The natural linkage of self-assembly with phase transition or with fluctuation indeed gives the clue of heading path, and consequently, the reports of oscillation in self-assembly and study of frequency dependent specific heat are also presented in this paper. Therefore the idea that inspecting the oscillating parameters with respect to frequency dependent specific heat might be helpful to understand the process of self-assembly and computer simulations is proposed. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | DISSIPATIVE PARTICLE DYNAMICS ; DISCRETIZED BOLTZMANN-EQUATION ; LATTICE-BOLTZMANN ; PARTICULATE SUSPENSIONS ; NUMERICAL SIMULATIONS ; AMPHIPHILIC FLUIDS ; MODEL ; MICELLES ; HEAT ; SURFACTANTS |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000249735900003 |
| 公开日期 | 2013-10-15 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/3302]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, Beijing 100080, Peoples R China 2.Beijing Ctr Phys & Chem Anal, Beijing 100089, Peoples R China 3.Beijing Acad Sci & Technol, Beijing 100089, Peoples R China |
| 推荐引用方式 GB/T 7714 | Deng Pingye,Zhang Donghai,Tian Yajun,et al. Molecular dynamics simulation of self-assembling[J]. PROGRESS IN CHEMISTRY,2007,19(9):1249-1257. |
| APA | Deng Pingye,Zhang Donghai,Tian Yajun,Chen Yunfa,&Ding Hui.(2007).Molecular dynamics simulation of self-assembling.PROGRESS IN CHEMISTRY,19(9),1249-1257. |
| MLA | Deng Pingye,et al."Molecular dynamics simulation of self-assembling".PROGRESS IN CHEMISTRY 19.9(2007):1249-1257. |
入库方式： OAI收割
来源：过程工程研究所
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