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Virial stress : ウィキペディア英語版
Virial stress
Virial stress is a measure of mechanical stress on an atomic scale. It is given by
:\tau_ = \frac \sum_ \left(-m^ (u_i^- \bar_i) (u_j^- \bar_j) + \frac \sum_ ( x_i^ - x_i^) f_j^\right)
where
* k and \ell are atoms in the domain,
* \Omega is the volume of the domain,
* m^ is the mass of atom ''k'',
* u_i^ is the ''i''th component of the velocity of atom ''k'',
* \bar_j is the ''j''th component of the average velocity of atoms in the volume,
* x_i^ is the ''i''th component of the position of atom ''k'', and
* f_i^ is the ''i''th component of the force applied on atom k by atom \ell.
At zero kelvin, all velocities are zero so we have
:\tau_ = \frac \sum_ ( x_i^ - x_i^) f_j^.
This can be thought of as follows. The τ11 component of stress is the force in the ''x''1-direction divided by the area of a plane perpendicular to that direction. Consider two adjacent volumes separated by such a plane. The 11-component of stress on that interface is the sum of all pairwise forces between atoms on the two sides.
==See also==

* Virial theorem

抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)
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