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Professor Kenneth Morris, Long Island University, gave a presentation on the influence of molecular anisotropy on the structure and structural relaxation of amorphous solids.
The final configurations of AIMD simulations can go back to the initial optimized structures after a full structural relaxation.
The structures of four types of amorphous silicon are examined by an experimentally constrained structural relaxation method (ECSR).
The properties of solid glass reflect the extent of this structural relaxation.
The embrittlement kinetics correlate with the structural relaxation.
This certifies that structural relaxation for such systems is similar to the one for amorphous alloys.
During the structural relaxation, the Perdew-BurkeErnzerhof (PBE) exchange and correlation (XC) functional are used.
Structural relaxation and crystallization were investigated at temperatures of 200°C to 300°C.
The excellent plasticity of the BMGs experienced the structural relaxation is absolutely different from those previous results of embrittlement after structural relaxation below Tg.
Besides, structural relaxation experiments revealed the existence of composition heterogeneity in the material.
By now a number of theoretical models for describing structural relaxation were developed.
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