Size-derived reaction mechanism of core-shell aluminum nanoparticle
文献类型：期刊论文
| 作者 | Chu QZ3; Shi BL3; Liao LJ(廖丽涓)2 ; Zhou YT3; Luo KH1; Wang NF3
|
| 刊名 | APPLIED PHYSICS LETTERS
 |
| 出版日期 | 2020-09-28 |
| 卷号 | 117期号:13页码:5 |
| ISSN号 | 0003-6951 |
| DOI | 10.1063/5.0015367 |
| 通讯作者 | Shi, Baolu(shibaolu@bit.edu.cn) ; Liao, Lijuan(liaohuanxin@hotmail.com) |
| 英文摘要 | To prompt the application of aluminum nanoparticles (ANPs) in combustion as the fuel additive and in chemical synthesis as the catalyst, this study examines the reaction dynamics of core-shell ANPs under an oxygen atmosphere via Transient Non-Equilibrium Reactive Molecular Dynamics simulations. Two distinct oxidation modes determined by the competition between the oxide shell melting and core reaction have been identified. One is the fast oxidation mode with a high reaction heat release rate, where core Al and ambient O atoms diffuse into each other to form a homogeneous alumina particle. The other is the moderate oxidation with lower heat release, where only core Al atoms diffuse into the oxide shell to form a hollow spherical structure. By modeling the shell melting and Al core reaction, a size-derived oxidation model has been proposed to conveniently but accurately predict the ANP reaction dynamics. This work also provides fundamental insight into the synthesis of ANPs that serve as a high energy density fuel and high-performance catalyst. |
| 分类号 | 二类/Q1 |
| WOS关键词 | MOLECULAR-DYNAMICS SIMULATIONS ; OXIDATION ; COMBUSTION |
| 资助项目 | Equipment Advance Research Field Foundation[61407200201] ; National Natural Science Foundation of China[11672314] ; National Natural Science Foundation of China[51676016] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000577127300001 |
| 资助机构 | Equipment Advance Research Field Foundation ; National Natural Science Foundation of China |
| 其他责任者 | Shi, Baolu ; Liao, Lijuan |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/85336]  |
| 专题 | 力学研究所_流固耦合系统力学重点实验室(2012-) |
| 作者单位 | 1.UCL, Dept Mech Engn, Torrington Pl, London WC1E 7JE, England 2.Chinese Acad Sci, Inst Mech, 15 BeiSihuan West Rd, Beijing 100190, Peoples R China; 3.Beijing Inst Technol, Sch Aerosp Engn, 5 ZhongGuanCun South St, Beijing 100081, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Chu QZ,Shi BL,Liao LJ,et al. Size-derived reaction mechanism of core-shell aluminum nanoparticle[J]. APPLIED PHYSICS LETTERS,2020,117(13):5. |
| APA | Chu QZ,Shi BL,廖丽涓,Zhou YT,Luo KH,&Wang NF.(2020).Size-derived reaction mechanism of core-shell aluminum nanoparticle.APPLIED PHYSICS LETTERS,117(13),5. |
| MLA | Chu QZ,et al."Size-derived reaction mechanism of core-shell aluminum nanoparticle".APPLIED PHYSICS LETTERS 117.13(2020):5. |
入库方式： OAI收割
来源：力学研究所
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