研究目的
Investigating the influence of quenching rates on the medium-range configuration and fracture behaviour of vitreous silica.
研究成果
The quenching rate significantly influences the network topology of vitreous silica, with lower rates increasing the number of energetically-favourable medium-sized rings. This results in higher tensile strengths and lower ranges of non-linear deformation, demonstrating a more brittle fracture behaviour.
研究不足
The study focuses on the atomistic level and may not fully capture macroscopic material behaviours. The simulation conditions (e.g., quenching rates) are limited to two specific values.
1：Experimental Design and Method Selection:
Molecular dynamics simulations are used to prepare vitreous silica by quenching molten silica to ambient temperature. The study varies quenching rates to observe effects on the material's structure and behaviour.
2：Sample Selection and Data Sources:
A simulation box containing 24,000 atoms is prepared by duplicating an elementary cubic box with randomly placed oxygen and silicon atoms.
3：List of Experimental Equipment and Materials:
The LAMMPS code is used for simulations, with inter-atomic forces calculated based on a potential function including two- and three-body interactions.
4：Experimental Procedures and Operational Workflow:
The system is melted at 8000K, quenched to 300K at different rates (1K/ps and 100K/ps), and allowed to relax under isothermal and isobaric conditions.
5：Data Analysis Methods:
The short-range order is analyzed using total pair distribution functions and bond angle distributions. The medium-range order is characterized by ring statistics.
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