Pressure-induced softening as a common feature of framework structures with negative thermal expansion

Article

关键词: SIMULATION;    ZEOLITES;    BEHAVIOR;    PROGRAM;    STATE;   

DOI  :  10.1103/PhysRevB.87.214109

来源: SCIE

【 摘 要 】

Results of a series of molecular dynamics simulations of cubic siliceous zeolites suggest that pressure-induced softening-the phenomenon in which a material becomes progressively more compressible under pressure-is likely to be a common feature of framework materials that show negative thermal expansion. The correlation between the negative thermal expansion and the pressure-induced softening is investigated on the basis of thermodynamics.

【 授权许可】

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