| Temperature-Dependent Paracrystalline Nucleation in Atomically Disordered Diamonds | |
| Zhang, Zhongting; Fang, Zhouyu; Wu HA(吴恒安); Zhu, Yinbo | |
| Corresponding Author | Zhu, Yinbo([email protected]) |
| Source Publication | NANO LETTERS
 |
| 2023-12-22 | |
| Volume | 24Issue:1Pages:312-318 |
| ISSN | 1530-6984 |
| Abstract | Atomically disordered diamonds with medium-range order realized in recent experiments extend our knowledge of atomic disorder in materials. However, the current understanding of amorphous carbons cannot answer why paracrystalline diamond (p-D) can be formed inherently different from other tetrahedral amorphous carbons (ta-Cs), and the emergence of p-D seems to be easily hindered by inappropriate temperatures. Herein, we performed atomistic-based simulations to shed light on temperature-dependent paracrystalline nucleation in atomically disordered diamonds. Using metadynamics and two carefully designed collective variables, reversible phase transitions among different ta-Cs can be presented under different temperatures, evidenced by corresponding local minima on the free energy surface and reaction path along the free energy gradient. We found that p-D is preferred in a narrow range of temperatures, which is comparable to real experimental temperatures under the Arrhenius framework. The insights and related methods should open up a perspective for investigating other amorphous carbons. |
| Keyword | paracrystalline diamonds atomically disordered diamonds amorphous carbons free energy surface |
| DOI | 10.1021/acs.nanolett.3c04037 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:001140914400001 |
| WOS Keyword | MOLECULAR-DYNAMICS ; PYROLYTIC CARBON ; ORDER ; LIQUIDS ; PHASE |
| WOS Research Area | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS Subject | Chemistry, Multidisciplinary ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter |
| Funding Project | National Natural Science Foundation of China[2022465] ; Youth Innovation Promotion Association CAS[12232016] ; Youth Innovation Promotion Association CAS[12172346] ; National Natural Science Foundation of China[WK2090000049] ; Fundamental Research Funds for the Central Universities[NJ2022002] ; Fundamental Research Funds for the Central Universities[INMD-2022M04] ; Open Fund of Key Laboratory for Intelligent Nano Materials and Devices of the Ministry of Education ; University of Science and Technology of China |
| Funding Organization | National Natural Science Foundation of China ; Youth Innovation Promotion Association CAS ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Open Fund of Key Laboratory for Intelligent Nano Materials and Devices of the Ministry of Education ; University of Science and Technology of China |
| Classification | 一类 |
| Ranking | 3 |
| Contributor | Zhu, Yinbo |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/94092 |
| Collection | 非线性力学国家重点实验室 |
| Recommended Citation GB/T 7714 | Zhang, Zhongting,Fang, Zhouyu,Wu HA,et al. Temperature-Dependent Paracrystalline Nucleation in Atomically Disordered Diamonds[J]. NANO LETTERS,2023,24,1,:312-318.Rp_Au:Zhu, Yinbo |
| APA | Zhang, Zhongting,Fang, Zhouyu,吴恒安,&Zhu, Yinbo.(2023).Temperature-Dependent Paracrystalline Nucleation in Atomically Disordered Diamonds.NANO LETTERS,24(1),312-318. |
| MLA | Zhang, Zhongting,et al."Temperature-Dependent Paracrystalline Nucleation in Atomically Disordered Diamonds".NANO LETTERS 24.1(2023):312-318. |
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| Jp2023Fa288.pdf（5111KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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