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Structural rotation of Al under uniaxial compression: A first-principles prediction
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10.1063/1.4747923
/content/aip/journal/jap/112/4/10.1063/1.4747923
http://aip.metastore.ingenta.com/content/aip/journal/jap/112/4/10.1063/1.4747923
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Schematic of crystal rotation due to uniaxial compression along [111] and directions. Black arrows show direction of compression.

Image of FIG. 2.
FIG. 2.

(a) Atomic structures of Al crystal with respect to the compressive strains of (1) 0.0, (2) −0.15, (3) −0.17, and (4) −0.19 along the y-direction (). The top row is the projection along the x-direction and the lower row is the projection along the z-direction. (b) Variation of the total energy as a function of the compressive strain εyy. (c) The normal stress σyy as a function of the compressive strain εyy. (d) Variation of strains εxx and εzz as a function of strain (εyy) corresponding to uniaxial stress loading. (e) Shear strength of (111) along as a function of uniaxial compressive stress σyy.

Image of FIG. 3.
FIG. 3.

(a) Atomic structures of Al crystal with respect to the compressive strains of (1) 0.0, (2) −0.18, (3) −0.22, and (4) −0.14 along the z-direction ([111]). The top row is the projection along the x-direction and the lower row is the projection along the z-direction. (b) Variation of the bonding energy as a function of the compressive strain εzz. (c) The normal stress σzz as a function of the compressive strain εzz. Open circles denote relaxation to final fcc crystal, this involves expansion along z direction. (d) Variation of strains εxx and εyy as a function of strain (εzz) corresponding to uniaxial stress loading. (e) Shear strength of (111) along as a function of uniaxial compressive stress σzz.

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/content/aip/journal/jap/112/4/10.1063/1.4747923
2012-08-29
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structural rotation of Al under uniaxial compression: A first-principles prediction
http://aip.metastore.ingenta.com/content/aip/journal/jap/112/4/10.1063/1.4747923
10.1063/1.4747923
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