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A modification to Hardy's thermomechanical theory that conserves fundamental properties more accurately
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10.1063/1.4811450
/content/aip/journal/jap/113/23/10.1063/1.4811450
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/23/10.1063/1.4811450

Figures

Image of FIG. 1.
FIG. 1.

Displacement of the atoms in the harmonic chain during the Gaussian pulse propagates at initially 0 K at different time instants.

Image of FIG. 2.
FIG. 2.

Displacement of the atoms in the 3D Ni crystal during the shock wave propagates at initially 0 K at (a) 1 ps, (b) 3 ps, (c) 5 ps, and (d) 7 ps.

Image of FIG. 3.
FIG. 3.

Stress and heat flux profiles as the Gaussian pulse propagates in the harmonic chain at different time instants at initially 0 K (length of the characteristic volume is chosen to be 4.8 ).

Image of FIG. 4.
FIG. 4.

Comparison between two sides of balance of momentum as the Gaussian pulse propagates in the harmonic chain at initially 0 K with different length of the characteristic volume (a) length = 1.2 , (b) length = 2.4 , (c) length = 4.8 , and (d) length = 9.6 at the time instant  = 1 ps.

Image of FIG. 5.
FIG. 5.

Stress and heat flux as the Gaussian pulse propagates in the harmonic chain at initially 0 K with different length of the characteristic volume (a) length = 1.2 , (b) length = 2.4 , (c) length = 4.8 , and (d) length = 9.6 at the time instant  = 1 ps.

Image of FIG. 6.
FIG. 6.

Comparison between two sides of the continuum governing equations as the Gaussian pulse propagates in the harmonic chain at initially 0 K at 1 ps (left column) and 3 ps (right column).

Image of FIG. 7.
FIG. 7.

Comparison between two sides of the continuum governing equations before (left column) and after (right column) ensemble averaging as the Gaussian pulse propagates in the harmonic chain at 1 ps at around 300 K.

Image of FIG. 8.
FIG. 8.

Comparison between two sides of the continuum governing equations as the Gaussian pulse propagates in the Morse chain at initially 0 K at 1 ps (left column) and 3 ps (right column).

Image of FIG. 9.
FIG. 9.

Comparison between two sides of the continuum governing equations before (left column) and after (right column) ensemble averaging as the Gaussian pulse propagates in the Morse chain at 1 ps at around 300 K.

Image of FIG. 10.
FIG. 10.

Comparison between two sides of the continuum governing equations as the shock wave propagates in the Morse chain at 2 ps (left column) and 4 ps (right column) at initially 0 K.

Image of FIG. 11.
FIG. 11.

Comparison between two sides of the continuum governing equations before (left column) and after (right column) ensemble averaging as the shock wave propagates in the Morse chain at 2 ps at around 300 K.

Image of FIG. 12.
FIG. 12.

Demonstration of the different normalization rules on the conservation of momentum and energy as the Gaussian pulse propagates in the Morse chain at 1 ps at initially 0 K. Left column is to use the original normalization rule and right column is to use the new normalization rule.

Image of FIG. 13.
FIG. 13.

Comparison between two sides of the continuum governing equations as the Gaussian pulse propagates in the 3D gold crystal modeled by Morse potential at 1 ps (left column) and 2 ps (right column) at initially 0 K.

Image of FIG. 14.
FIG. 14.

Comparison between two sides of the continuum governing equations as the Gaussian pulse propagates in the 3D nickel crystal modeled by EAM potential at 1 ps (left column) and 2 ps (right column) at initially 0 K.

Image of FIG. 15.
FIG. 15.

Comparison between two sides of the continuum governing equations as the shock wave propagates in the 3D nickel crystal modeled by EAM potential at 1 ps (left column) and 3 ps (right column) at initially 0 K.

Image of FIG. 16.
FIG. 16.

Comparison between two sides of the continuum governing equations as the shock wave propagates in the 3D nickel crystal modeled by EAM potential at 2 ps at around 300 K before (left column) and after (right column) ensemble averaging.

Tables

Generic image for table
Table I.

Lattice parameter , and Morse potential parameters , , and for Au.

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/content/aip/journal/jap/113/23/10.1063/1.4811450
2013-06-18
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A modification to Hardy's thermomechanical theory that conserves fundamental properties more accurately
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/23/10.1063/1.4811450
10.1063/1.4811450
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