Skip to main content Accessibility help
×
Home

Lattice statics Green's function method for calculation of atomistic structure of grain boundary interfaces in solids: Part II. Anharmonic theory

  • V. K. Tewary (a1) and E. R. Fuller (a1)

Abstract

The lattice statics Green's function method for calculation of the atomistic structure of grain boundary interfaces in solids as described in Part I is extended to include anharmonic effects. It is shown that the ‘anharmonic’ response of a solid to ‘anharmonic’ forces can be represented in terms of the ‘harmonic’ response of the solid to an effective anharmonic force. The Green's function method then requires solving a finite order nonlinear matrix equation, which is done by using standard numerical methods. For the purpose of illustration, the method is applied to calculate the atomistic structure of a ∑5 tilt boundary in fec copper.

Copyright

References

Hide All
1Tewary, V. K., Fuller, E. R. Jr, and Thomson, R. M., J. Mater. Res. 4 (2) 309 (1989).
2Crocker, A. G., Doneghan, M., and Ingle, K. W., Phil. Mag. 41A, 21 (1980).
3Crocker, A. G. and Faridi, B. A., Acta Metall. 28, 549 (1980).
4Maradudin, A. A., Montroll, E. W., Weiss, G. H., and Ipatova, I. P., “Theory of Lattice Dynamics in the Harmonic Approximation”, edited by Ehrenreich, H., Seitz, F., and Turnbull, D., Solid State Phys. Suppl. 3, II edition (Academic Press, New York, 1971).
5Ralston, A. and Rabinowitz, P., First Course in Numerical Analysis (McGraw-Hill, New York, 1978).
6Tewary, V. K., Adv. in Phys. 22, 757 (1973).
7Tewary, V. K. and Bullough, R., J. Phys. F (Metal. Phys.) 1, 554 (1971).

Lattice statics Green's function method for calculation of atomistic structure of grain boundary interfaces in solids: Part II. Anharmonic theory

  • V. K. Tewary (a1) and E. R. Fuller (a1)

Metrics

Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed