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Molecular Simulation Volume 46, 2020 - Issue 5
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Articles

Size and shape dependent thermal properties of rutile TiO2 nanoparticles: a molecular dynamics simulation study

Hadi AlizadehDepartment of Physics, University of Zanjan, Zanjan, IranCorrespondence[email protected]
,
Matin Alsadat MostaanDepartment of Physics, University of Zanjan, Zanjan, Iran
,
Nader MalihDepartment of Physics, University of Zanjan, Zanjan, Iran
&
Jamal DavoodiDepartment of Physics, University of Zanjan, Zanjan, Iran;Technical and Vocational University, Tehran, Iran
Pages 341-349 | Received 10 Dec 2018, Accepted 18 Oct 2019, Published online: 31 Jan 2020

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Shengkun Wei, Xuelian Wu & Xu Li. (2021) Solubility analysis of nano particles, cellulose crystalline region and cellulose molecule, and the impact study of crystalline region on properties of cellulose insulating paper. Molecular Simulation 47:18, pages 1522-1529.
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Xu Li, Zhiwei Li, Jinghong Liu, Hao Bai, Xueshi Yuan, Yin Shen, Xinxin Luo, Bifeng Xiong, Jingyu Xie, Jingna Wang & Chao Tang. (2021) Effect of nano-SiO2 particles modified by 3-aminopropyltriethyloxy silane on mechanical properties and thermal stability of meta-aramid insulation paper. Molecular Simulation 47:16, pages 1349-1357.
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Shaida Anwer Kakil, Hewa Y. Abdullah & Tahseen G. Abdullah. (2021) Electronic properties of (TiO2)33 nanocrystals with nitrogen impurities at different facets: a DFT study. Molecular Simulation 47:14, pages 1185-1197.
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Articles from other publishers (6)

Jianhui Cai, Jiaming Fei, Liguang Li, Cheng Fei, Mohammadhadi Maghsoudniazi & Zhanguo Su. (2023) Multicriteria study of geothermal trigeneration systems with configurations of hybrid vapor compression refrigeration and Kalina cycles for sport arena application. Renewable Energy, pages 119390.
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Iman Salahshoori, Majid Namayandeh Jorabchi, Somayeh Ghasemi, Seyedeh Masoomeh Sadat Mirnezami, Marcos A.L. Nobre & Hossein Ali Khonakdar. (2023) Assessing cationic dye adsorption mechanisms on MIL-53 (Al) nanostructured MOF materials using quantum chemical and molecular simulations: Toward environmentally sustainable wastewater treatment. Journal of Water Process Engineering 55, pages 104081.
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Shizhan Zhang & Yunkai Wu. (2023) Investigating the crystallization behavior of TiO2 during annealing: Molecular dynamics simulations. AIP Advances 13:8.
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Haozhen Yang, Benyao Sun, Yunfan Zhu, Deqiang Yin & Jianyao Yao. (2022) Critical role of surficial activity in the sintering process of TiO2 nanoparticles by molecular dynamics simulation. Powder Technology 398, pages 117071.
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Riyajul Islam, Krishna Priya Hazarika & J. P. Borah. 2022. Handbook of Magnetic Hybrid Nanoalloys and their Nanocomposites. Handbook of Magnetic Hybrid Nanoalloys and their Nanocomposites 459 480 .
Riyajul Islam, Krishna Priya Hazarika & J. P. Borah. 2020. Handbook of Magnetic Hybrid Nanoalloys and their Nanocomposites. Handbook of Magnetic Hybrid Nanoalloys and their Nanocomposites 1 22 .

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