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Atomistic simulations of shock induced melting of bicrystal copper with twist grain boundary
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10.1063/1.4766445
/content/aip/journal/jap/112/10/10.1063/1.4766445
http://aip.metastore.ingenta.com/content/aip/journal/jap/112/10/10.1063/1.4766445
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The particle velocity profiles at different times for bicrystal Cu with twist GB for , dashed line denotes the initial position of the GB.

Image of FIG. 2.
FIG. 2.

Side views of the final atomic configurations of the Cu bicrystal with under different piston velocities. Atoms are colored according to their local order parameter .

Image of FIG. 3.
FIG. 3.

The order parameter profiles along the shock direction of the bicrystal with shocked under different piston velocities and the bicrystal with for .

Image of FIG. 4.
FIG. 4.

Distributions of liquid clusters at different times for the shocked bicrystal under different piston velocities. Atoms are colored according to the sizes of clusters they belong to. Dashed rectangle indicates the location of GB.

Image of FIG. 5.
FIG. 5.

The order parameter profiles along the shock direction of the shocked bicrystals at different times for (a) and (b) , solid curves in (b) denote sigmoidal fittings with Eq. (3).

Image of FIG. 6.
FIG. 6.

Configurations of liquid clusters at different times of the shocked bicrystal with for (a) and (b) . Atoms are colored according to the cluster size.

Image of FIG. 7.
FIG. 7.

Time evolutions of GB width for bicrystal at .

Image of FIG. 8.
FIG. 8.

(a) Time evolutions of MSDs of atoms in the shocked GB region under different piston velocities and (b) GB order parameter vs shock pressure for .

Image of FIG. 9.
FIG. 9.

Side views of the final atomic configurations of the bicrystal with twist GB under different piston velocities. Atoms are colored according to the local order parameter , dashed line gives the initial location of GB.

Image of FIG. 10.
FIG. 10.

Configurations of liquid clusters at different times of the shocked bicrystal with for (a) and (b) . Atoms are colored according to the cluster size.

Image of FIG. 11.
FIG. 11.

The Hugoniot relations of shocked bicrystals with two types of GBs as well as shocked perfect crystal. The solid curve denotes the equilibrium melting curve fitted with the Simon equation from Ref. 10.

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/content/aip/journal/jap/112/10/10.1063/1.4766445
2012-11-21
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Atomistic simulations of shock induced melting of bicrystal copper with twist grain boundary
http://aip.metastore.ingenta.com/content/aip/journal/jap/112/10/10.1063/1.4766445
10.1063/1.4766445
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