journal article·2021-12

Influence of different configurations of Fe nanoparticles on the melting point: a molecular dynamics simulation

Minghui Wu, Xiaoxun Zhang, Fang Ma, Sensen Dong, Wei Yang, Juze Jiang

Bulletin of Materials Science· Volume 44· Issue 4
Publisher page

Abstract

Molecular dynamics simulation is used to explore the changes in melting point of Fe nanomaterials under different initial configurations. What reveals in this simulation is that an S-curve with different curvature appears in the diagram owing to the hindering of total energy supply in larger damping coefficient by changing the temperature-damping coefficient (T-damp). In addition, the change in simulated theoretical melting points are found by comparing the initial configurations of different particles under the same conditions.
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Research context

OpenAlex topics: nanoparticles nucleation surface interactions · Chemical and Physical Properties of Materials · Advanced Chemical Physics Studies

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