Related Experiment Video
Updated: Jun 27, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
A molecular dynamics study of the phase transition in bcc metal nanoparticles
Yasushi Shibuta1, Toshio Suzuki
1Department of Materials Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan. shibuta@material.t.utokyo.ac.jp
Abstract:
The phase transition between liquid and solid phases in body-centered cubic (bcc) metal nanoparticles of iron, chromium, molybdenum, and tungsten with size ranging from 2000 to 31,250 atoms was investigated using a molecular dynamics simulation. The nucleation from an undercooled liquid droplet was observed during cooling in all nanoparticles considered. It was found that a nucleus was generated near one side of the particle and solidification spread toward the other side the during nucleation process. On the other hand, the surface melting and subsequent inward melting of the solid core of the nanoparticles were observed during heating. The depression of the melting point was proportional to the inverse of the particle radius due to the Gibbs-Thomson effect. On the other hand, the depression of the nucleation temperature during cooling was not monotonic with respect to the particle radius since the nucleation from an undercooled liquid depends on the event probability of an embryo or a nucleus.
Related Concept Videos
Phase Transitions: Melting and Freezing
Phase Transitions
Phase Transitions
Bonding in Metals
Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Molecular and Ionic Solids
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...

