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arXiv · 1306.2395

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

Hong Fang·Martin T. Dove
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Abstract

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.

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Hong Fang, Martin T. Dove. 2013-06-11. Pressure-induced softening as a common feature of framework structures that have negative thermal expansion. https://doi.org/10.1103/physrevb.87.214109

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