A Study on the Structural Features of Amorphous Nanoparticles of Ni by Molecular Dynamics Simulation Article Swipe
Tuan Tran Quoc
,
Dũng Nguyễn Trọng
,
Van Cao Long
,
Umut Saraç
,
Ştefan Ţălu
·
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.3390/jcs6090278
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.3390/jcs6090278
This study deals with the impact of the heating rate (HR), temperature (T), and the number of atoms (N) on the structural features of amorphous nanoparticles (ANPs) of Ni by molecular dynamics simulation (MDS) with the Pak–Doyama pair interaction potential field (PD). The obtained results showed that the structural features of ANPs of Ni are significantly affected by the studied factors. The correlation between the size (D) and the N was determined to be D~N−1/3. The energy (E) was proportional to N−1, and the Ni-Ni link length was 2.55 Å. The glass transition temperature (Tg) derived from the E-T graph was estimated to be 630 K. An increase in the HR induced a change in the shape of the ANPs of Ni. Furthermore, raising the HR caused an enhancement in the D and a decrement in the density of atoms. The obtained results are expected to contribute to future empirical studies.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.3390/jcs6090278
- https://www.mdpi.com/2504-477X/6/9/278/pdf?version=1663733808
- OA Status
- gold
- Cited By
- 4
- References
- 69
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4296526808
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Raw OpenAlex JSON
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https://openalex.org/W4296526808Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.3390/jcs6090278Digital Object Identifier
- Title
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A Study on the Structural Features of Amorphous Nanoparticles of Ni by Molecular Dynamics SimulationWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2022Year of publication
- Publication date
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2022-09-19Full publication date if available
- Authors
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Tuan Tran Quoc, Dũng Nguyễn Trọng, Van Cao Long, Umut Saraç, Ştefan ŢăluList of authors in order
- Landing page
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https://doi.org/10.3390/jcs6090278Publisher landing page
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https://www.mdpi.com/2504-477X/6/9/278/pdf?version=1663733808Direct link to full text PDF
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YesWhether a free full text is available
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goldOpen access status per OpenAlex
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https://www.mdpi.com/2504-477X/6/9/278/pdf?version=1663733808Direct OA link when available
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Molecular dynamics, Amorphous solid, Materials science, Glass transition, Nanoparticle, Graph, Coordination number, Nanotechnology, Crystallography, Chemistry, Computational chemistry, Ion, Composite material, Mathematics, Polymer, Combinatorics, Organic chemistryTop concepts (fields/topics) attached by OpenAlex
- Cited by
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4Total citation count in OpenAlex
- Citations by year (recent)
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2023: 4Per-year citation counts (last 5 years)
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69Number of works referenced by this work
- Related works (count)
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10Other works algorithmically related by OpenAlex
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