M. P. Allen, D. J. Tildesley, S. D. Antolovich, and R. W. Armstrong, Une interprétation par la théorie élastique a été effectuée. La méthode de la théorie élastique a su reproduire l'allure du profile NEB sur une bonne partie pour les JdG 13 <100> (320) et 5 <100> (120). Toutefois, ce modèle n'a pas fonctionné pour le JdG 17 <100> (530) ayant une structure un peu particulière, Puis nous avons quantifier par méthode NEB le chemin de minimum énergie (MEP) et la barrière énergétique nécessaire à la migration, vol.59, pp.1-160, 1989.

A. , The structure of grain boundaries described as a packing of polyhedra, Acta Metallurgica, vol.26, issue.11, pp.1647-1663, 1978.

[. Banadaki, A. D. Patala-;-banadaki, and S. Patala, An efficient algorithm for computing the primitive bases of a general lattice plane, Journal of Applied Crystallography, vol.48, issue.2, pp.585-588, 2015.

A. D. Banadaki and S. Patala, A threedimensional polyhedral unit model for grain boundary structure in fcc metals, npj Computational Materials, vol.3, issue.1, 2017.

W. Bollmann-;-bollmann and . Bulatov, Grain boundary energy function for fcc metals, Anisotropy of Interfacial Energy in Five Dimensions, vol.65, pp.161-175, 1970.

[. Cai, A non-singular continuum theory of dislocations, Journal of the Mechanics and Physics of Solids, vol.54, issue.3, pp.561-587, 2006.

. Bibliographie-[caillard, D. Martin-;-caillard, J. Martin, M. S. Daw, and M. I. Baskes, Embedded-atom method : Derivation and application to impurities, surfaces, and other defects in metals, Physical Review B, vol.8, issue.12, p.6443, 1984.

[. Daw, The embedded-atom method : a review of theory and applications, Materials Science Reports, vol.9, issue.7-8, pp.251-310, 1993.

O. Dimitrov-;-dimitrov, MIGRATION DES JOINTS DE GRAINS, LA MIGRATION DES JOINTS INTERGRANULAIRES. Le Journal de Physique Colloques, vol.36, issue.C4, pp.4-319, 1975.
URL : https://hal.archives-ouvertes.fr/jpa-00216338

H. Dugas-;-dugas, Principes de base en modélisation moléculaire. Aspects théoriques et pratiques, quatrième édition, 1996.

, High-resolution transmission electron microscopy observations and atomic simulations of the structures of exact and near S = 11, {332} tilt grain boundaries in nickel, Philosophical Magazine A, vol.80, issue.4, pp.853-870, 2000.

[. Eshelby, XLI. The equilibrium of linear arrays of dislocations. The London, Edinburgh, and Dublin Philosophical Magazine, Journal of Science, vol.42, issue.327, pp.351-364, 1951.

S. Foiles, Calculation of the surface segregation of Ni-Cu alloys with the use of the embedded-atom method, Physical Review B, vol.32, issue.12, p.7685, 1985.

. Foiles, Embeddedatom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys, Physical Review B, vol.33, issue.12, p.7983, 1986.

H. ;. Foiles, S. Foiles, and J. Hoyt, Computation of grain boundary stiffness and mobility from boundary fluctuations, Acta Materialia, vol.54, issue.12, pp.3351-3357, 2006.

F. C. Frank, Capillary equilibria of dislocated crystals, Acta Crystallographica, vol.4, issue.6, pp.497-501, 1951.

, Novel scheme to study structural and thermal properties of continuously deformable molecules, Journal of Physics : Condensed Matter, vol.4, issue.12, p.3053, 1992.

, A quantitative analysis of the evolution of texture and stored energy during annealing of cold rolled copper, Acta Materialia, vol.51, issue.20, pp.6359-6371, 2003.

. Bibliographie-[godiksen, Molecular dynamics simulations of grain boundary migration during recrystallization employing tilt and twist dislocation boundaries to provide the driving pressure, Modelling and Simulation in Materials Science and Engineering, vol.55, issue.18, p.65002, 2007.

[. Gottstein, Grain boundary migration : misorientation dependence, Current Opinion in Solid State and Materials Science, vol.5, issue.1, pp.9-14, 2001.

S. Gottstein, G. Gottstein, and L. S. Shvindlerman, Grain boundary migration in metals : thermodynamics, kinetics, applications. CRC series in materials science and technology, 2010.

. Gradshtein, Table of integrals, series, and products, 2007.

J. Haile-;-haile, Molecular Dynamics Simulation : Elementary methods, 1997.

E. Hall-;-hall and . Han, The deformation and ageing of mild steel : III discussion of results, Proceedings of the Physical Society. Section B, vol.64, issue.9, pp.386-476, 1951.

[. Hirth, Spacing defects and disconnections in grain boundaries, Acta Materialia, vol.55, issue.16, pp.5428-5437, 2007.

J. P. Hirth-;-hirth, On Dislocation Interactions in the fcc Lattice, Journal of Applied Physics, vol.32, issue.4, pp.700-706, 1961.

J. P. Hirth and J. Lothe, Theory of dislocations, p.258302657, 1992.

J. P. Pond-;-hirth and R. C. Pond, Steps, dislocations and disconnections as interface defects relating to structure and phase transformations, Acta Materialia, vol.44, issue.12, pp.4749-4763, 1996.

E. R. Homer-;-homer, Investigating the mechanisms of grain boundary migration during recrystallization using molecular dynamics, IOP Conference Series : Materials Science and Engineering, vol.89, p.12006, 2015.

[. Homer, Phenomenology of shear-coupled grain boundary motion in symmetric tilt and general grain boundaries, Acta Materialia, vol.61, issue.4, pp.1048-1060, 2013.

[. Homer, Grain Boundary Plane Orientation Fundamental Zones and Structure-Property Relationships, Scientific Reports, vol.5, p.15476, 2015.

D. Hull and D. J. Bacon, Introduction to dislocations, 2001.

F. J. Humphreys and M. Hatherly, Recrystallization and related annealing phenomena, Boston, 1995.

N. Y. Tarrytown and U. S. ,

. Janssens, Computing the mobility of grain boundaries, Nat Mater, vol.5, issue.2, pp.124-127, 2006.

[. Jónsson, Nudged elastic band method for finding minimum energy paths of transitions, Classical and quantum dynamics in condensed phase simulations, pp.385-404, 1998.

G. Johnston, W. G. Gilman, and J. J. , Dislocation Velocities, Dislocation Densities, and Plastic Flow in Lithium Fluoride Crystals, Journal of Applied Physics, vol.30, issue.2, pp.129-144, 1959.

[. Kahloun, Topological analysis of {110} slip in an alpha-iron crystal from in situ atomic force microscopy, Acta Materialia, issue.17, pp.6453-6465, 2013.

[. Khater, The disconnection mechanism of coupled migration and shear at grain boundaries, Acta Materialia, vol.60, issue.5, pp.2007-2020, 2012.

[. Kühn, On the energymisorientation relationship of grain boundaries, Acta Metallurgica, vol.27, issue.6, pp.959-963, 1979.

S. King, A. H. King, D. A. Smith, C. V. Kopetsky, L. S. Shvindlerman et al., The effects on grain-boundary processes of the steps in the boundary plane associated with the cores of grain-boundary dislocations, Acta Crystallographica Section A : Crystal Physics, Diffraction, Theoretical and General Crystallography, vol.36, issue.3, pp.953-956, 1978.

A. R. Leach, Molecular modelling : principles and applications, 2001.

, TEM in situ deformation study of the interaction of lattice dislocations with grain boundaries in metals, Philosophical Magazine A, vol.62, issue.1, pp.463-477, 1924.

J. Li-;-li, Atomistic visualization, Handbook of Materials Modeling, pp.1051-1068, 2005.

E. Machlin-;-machlin, D. Mcquarrie, and . Mendelev, An introduction to aspects of thermodynamics and kinetics relevant to materials science, Journal of materials research, vol.17, issue.1, pp.234-245, 1976.

U. Messerschmidt-;-messerschmidt and . Metropolis, Atomistic modeling of interfaces and their impact on microstructure and properties, The Journal of Chemical Physics, vol.129, issue.6, pp.1117-1151, 1953.

[. Mishin, Structural stability and lattice defects in copper : Ab initio , tight-binding, and embedded-atom calculations, Physical Review B, vol.59, issue.5, p.3393, 1999.

. Mompiou, Inter-and intragranular plasticity mechanisms in ultrafine-grained Al thin films : An in situ TEM study, Acta Materialia, vol.61, issue.1, pp.205-216, 2013.
URL : https://hal.archives-ouvertes.fr/hal-00795948

. Olmsted, Survey of computed grain boundary properties in face-centered cubic metals : I. Grain boundary energy, Acta Materialia, vol.57, issue.13, pp.3694-3703, 2009.

. Bibliographie-[olmsted, Survey of computed grain boundary properties in face-centered cubic metals-II : Grain boundary mobility, Acta Materialia, vol.57, issue.13, pp.3704-3713, 2009.

E. Orowan, Zur kristallplastizität. i. Zeitschrift für Physik, vol.89, pp.605-613, 1934.

N. Petch, The Cleavage Strengh of Polycrystals, J. of the Iron and Steel Inst, vol.174, pp.25-28, 1953.

[. Pineau, Comportement mécanique des matériaux, Hermes, 1995.

, LAMMPS-large-scale atomic/molecular massively parallel simulator, vol.18

L. Priester-;-priester, Les Joints de grains : de la théorie à l'ingénierie, p.71257570, 2006.

L. Priester-;-priester, Structures et défauts de structure des joints de grains, pp.45-55, 2009.

L. Priester, Grain boundaries : from theory to engineering, vol.172, 2012.

[. Priester, T. Priester, L. Thibault-penisson, and J. , Joints de grains-Théorie et expérimentation, 2010.

[. Rajabzadeh, The role of disconnections in deformation-coupled grain boundary migration, Acta Materialia, vol.77, pp.223-235, 2014.
URL : https://hal.archives-ouvertes.fr/hal-01729252

[. Rajabzadeh, Elementary Mechanisms of Shear-Coupled Grain Boundary Migration, Physical Review Letters, issue.26, p.110, 2013.
URL : https://hal.archives-ouvertes.fr/hal-02079383

W. T. Read and W. Shockley, Dislocation models of crystal grain boundaries, Physical Review, vol.78, issue.3, p.275, 1950.

[. Rose, Universal features of the equation of state of metals, Physical Review B, vol.29, issue.6, p.2963, 1984.

[. Sennour, HRTEM study of defects in twin boundaries of ultra-fine grained copper, Philosophical Magazine, vol.87, issue.10, pp.1465-1486, 2007.
URL : https://hal.archives-ouvertes.fr/hal-00513787

. Bibliographie-[smidstrup, Improved initial guess for minimum energy path calculations, The Journal of chemical physics, vol.140, issue.21, p.214106, 2014.

A. Stukowski, Structure identification methods for atomistic simulations of crystalline materials. Modelling and Simulation in Materials, Science and Engineering, vol.20, issue.4, p.45021, 2012.

A. Stukowski and K. Albe, Extracting dislocations and non-dislocation crystal defects from atomistic simulation data. Modelling and Simulation in, Materials Science and Engineering, vol.18, issue.8, p.85001, 2010.

[. Stukowski, Automated identification and indexing of dislocations in crystal interfaces, Modelling and Simulation in Materials Science and Engineering, vol.20, issue.8, p.85007, 2012.

B. Sutton, A. P. Sutton, and R. W. Balluffi, , 1995.

N. Thompson-;-thompson, Dislocation Nodes in Face-Centred Cubic Lattices, Proceedings of the Physical Society. Section B, vol.66, issue.6, p.481, 1953.

M. ;. Thompson, N. Thompson, and D. Millard, XXXVIII. Twin formation, in cadmium. The London, Edinburgh, and Dublin Philosophical Magazine, Journal of Science, vol.43, issue.339, pp.422-440, 1952.

. Tonks, Guidance to design grain boundary mobility experiments with molecular dynamics and phase-field modeling, Acta Materialia, vol.61, issue.4, pp.1373-1382, 2013.

[. Tschopp, Symmetric and asymmetric tilt grain boundary structure and energy in Cu and Al (and transferability to other fcc metals). Integrating Materials and Manufacturing Innovation, p.4, 2015.

[. Upmanyu, Misorientation dependence of intrinsic grain boundary mobility : simulation and experiment, Acta materialia, vol.47, issue.14, pp.3901-3914, 1999.

A. F. Voter, The embedded atom method, Intermetallic Compounds : Principles, vol.1, p.77, 1994.

Y. Zhang-;-yan, X. Zhang, and H. , On the atomistic mechanisms of grain boundary migration in [001] twist boundaries : Molecular dynamics simulations, Computational Materials Science, vol.48, issue.4, pp.773-782, 2010.

. Bibliographie-[zhang, Computer simulation of the elastically driven migration of a flat grain boundary, Acta Materialia, vol.52, issue.9, pp.2569-2576, 2004.

H. Zhang and D. J. Srolovitz, Simulation and analysis of the migration mechanism of 5 tilt grain boundaries in an fcc metal, Acta Materialia, vol.54, issue.3, pp.623-633, 2006.

[. Zhang, Atomic motion during the migration of general [001] tilt grain boundaries in Ni, Acta Materialia, vol.55, issue.13, pp.4527-4533, 2007.