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Elastic properties of compressed cryocrystals in a deformed atom model
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10.1063/1.4811262
/content/aip/journal/ltp/39/6/10.1063/1.4811262
http://aip.metastore.ingenta.com/content/aip/journal/ltp/39/6/10.1063/1.4811262

Figures

Image of FIG. 1.
FIG. 1.

Pressure dependence of the Birch elastic moduli for Ne. Squares represent the calculated values of the Birch elastic modulus , taking into account the next-to-nearest neighbors (◨), and  =  , with the three-body and quadrupole interactions (▪); circles are the same as for the Birch elastic modulus ; triangles are the same as for the Birch elastic modulus ; experimental data (◻, ○, ).

Image of FIG. 2.
FIG. 2.

Pressure dependence of the Birch moduli for Kr. Squares represent the calculated values of the Birch elastic modulus , taking into account the next-to-nearest neighbors (◨), and  =  with the three-body and quadrupole interactions (); circles are the same as for the Birch elastic modulus ; triangles are the same as for the Birch elastic modulus ; and the experimental data (◻, ○, ).

Image of FIG. 3.
FIG. 3.

Pressure dependence of the Cauchy deviation for Ne and Kr. (◼, ) represent the present calculations of δ. The results are compared to calculations in the DFT model (◨, ), and the experimental data are (◻, ).

Tables

Generic image for table
Table I.

Parameters (in a.u.) of the three-body δ, δ, , , and quadrupole interactions and the deviation from the Cauchy relation δ = δ + δ (in GPa) for Ne and Kr as a function of the pressure (in GPa) (compression  = Δ/ ).

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/content/aip/journal/ltp/39/6/10.1063/1.4811262
2013-06-27
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Elastic properties of compressed cryocrystals in a deformed atom model
http://aip.metastore.ingenta.com/content/aip/journal/ltp/39/6/10.1063/1.4811262
10.1063/1.4811262
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