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1

Free energies of interfaces from quasi-harmonic theory: A critical appraisal

A. Hairie, F. Hairie, B. Lebouvier, G. Nouet, E. Paumier, N. Ralantoson, A. P. Sutton

Journal:

Interface Science

Year:

1994

Language:

english

File:

PDF, 908 KB

english, 1994

2

Methods of minimizing free energies directly

A. P. Sutton, A. Hairie, F. Hairie, B. Lebouvier, G. Nouet, E. Paumier, N. Ralantoson

Journal:

Journal of Phase Equilibria

Year:

1997

Language:

english

File:

PDF, 162 KB

english, 1997

3

Calculation of Grain Boundary Free Energy by Molecular Dynamics and Tests on Silicon Perfect Crystal

Ralantoson, N., Hairie, A., Hairie, F., Hardouin Duparc, O.B.M., Hou, M., Nouet, Gerard, Paumier, E.

Journal:

Solid State Phenomena

Year:

1994

File:

PDF, 358 KB

1994

4

Energy Calculation of the Σ = 5 Twist Grain Boundary in Silicon and Germanium

Ralantoson, N., Hairie, F., Hairie, A., Nouet, Gerard, Paumier, E.

Journal:

Materials Science Forum

Year:

1993

File:

PDF, 262 KB

1993

5

Direct Free Energy Estimates along a Real Path by Means of Constrained Molecular Dynamics

Hou, M., Hairie, A., Lebouvier, B., Paumier, E., Ralantoson, N., Hardouin Duparc, O.B.M., Sutton, A.P.

Journal:

Materials Science Forum

Year:

1996

File:

PDF, 326 KB

1996

6

Free Energy of the Σ = 11 (332) Tilt Grain Boundary in Silicon

Mourelatos, S., Ralantoson, N., Delavignette, P., Hairie, A., Hairie, F., Hou, M., Paumier, E., Thibault, J., Sutton, A.P.

Journal:

Materials Science Forum

Year:

1993

File:

PDF, 222 KB

1993