| Size-derived reaction mechanism of core-shell aluminum nanoparticle | |
Chu QZ1; Shi BL1; Liao LJ(廖丽涓)2 ; Zhou YT1; Luo KH3; Wang NF1
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| Corresponding Author | Shi, Baolu([email protected]) ; Liao, Lijuan([email protected]) |
| Source Publication | APPLIED PHYSICS LETTERS
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| 2020-09-28 | |
| Volume | 117Issue:13Pages:5 |
| ISSN | 0003-6951 |
| Abstract | 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. |
| DOI | 10.1063/5.0015367 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000577127300001 |
| WOS Keyword | MOLECULAR-DYNAMICS SIMULATIONS ; OXIDATION ; COMBUSTION |
| WOS Research Area | Physics |
| WOS Subject | Physics, Applied |
| Funding Project | Equipment Advance Research Field Foundation[61407200201] ; National Natural Science Foundation of China[11672314] ; National Natural Science Foundation of China[51676016] |
| Funding Organization | Equipment Advance Research Field Foundation ; National Natural Science Foundation of China |
| Classification | 二类/Q1 |
| Ranking | 1 |
| Contributor | Shi, Baolu ; Liao, Lijuan |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/85337 |
| Collection | 流固耦合系统力学重点实验室 |
| Affiliation | 1.Beijing Inst Technol, Sch Aerosp Engn, 5 ZhongGuanCun South St, Beijing 100081, Peoples R China; 2.Chinese Acad Sci, Inst Mech, 15 BeiSihuan West Rd, Beijing 100190, Peoples R China; 3.UCL, Dept Mech Engn, Torrington Pl, London WC1E 7JE, England |
| Recommended Citation 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.Rp_Au:Shi, Baolu, Liao, Lijuan |
| 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. |
| Files in This Item: | Download All | |||||
| File Name/Size | DocType | Version | Access | License | ||
| Jp2020316.pdf（2748KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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