Structural ordering and glass forming of soft spherical particles with harmonic repulsions

Journal Article · Mon Apr 07 00:00:00 EDT 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4869833· OSTI ID:22253322

Sun, Bin ^[1]; Sun, Zhiwei; Ouyang, Wenze; Xu, Shenghua ^[2]

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1. School of Materials and Chemical Engineering, Zhongyuan University of Technology, Zhengzhou 450007 (China)
2. Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China)

We carry out dissipative particle dynamics simulations to investigate the dynamic process of phase transformation in the system with harmonic repulsion particles. Just below the melting point, the system undergoes liquid state, face-centered cubic crystallization, body-centered cubic crystallization, and reentrant melting phase transition upon compression, which is in good agreement with the phase diagram constructed previously via thermodynamic integration. However, when the temperature is decreased sufficiently, the system is trapped into an amorphous and frustrated glass state in the region of intermediate density, where the solid phase and crystal structure should be thermodynamically most stable.

• OSTI ID: 22253322
• Journal Information: Journal of Chemical Physics, Vol. 140, Issue 13; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
BCC LATTICES
CRYSTALLIZATION
DENSITY
FCC LATTICES
GLASS
LIQUIDS
MELTING
MELTING POINTS
PARTICLES
PHASE DIAGRAMS
SIMULATION
SOLIDS