Abstract
Averaged accounting of motion and interaction of dislocations is a natural way to describe plasticity at macroscale in those metals, in which dislocation slip is the main mechanism. This approach describes the inertness of the plasticity development, which is crucial in dynamic problems. On the other hand, such models demand for additional equations and parameters. Molecular dynamics (MD) simulation of elementary processes in the dislocation ensemble at nanoscale is prospective tool for construction of these equations and fitting their parameters. We present MD simulation of the motion of single dislocation lines in pure metals and metals with precipitates. Influence of local stresses on the motion of dislocations in pure metals is discussed. The dislocation motion equation is derived and their parameters are fitted to MD simulations for Al, Cu and Mg. Also we discuss the model for dynamic interaction of dislocation and precipitate intended for description of plasticity in alloys.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
Austin, R.A., McDowell, D.L.: A dislocation-based constitutive model for viscoplastic deformation of FCC metals at very high strain rates. Int. J. Plast. 27(1), 1–24 (2011)
Krasnikov, V.S., Mayer, A.E., Yalovets, A.P.: Dislocation based high-rate plasticity model and its application to plate-impact and ultra short electron irradiation simulations. Int. J. Plast. 27(8), 1294–1308 (2011)
Barton, N.R., Bernier, J.V., Becker, R., Arsenlis, A., Cavallo, R., Marian, J., Rhee, M., Park, H.-S., Remington, B.A., Olson, R.T.: A multiscale strength model for extreme loading conditions. J. Appl. Phys. 109(7), 073501 (2011)
Malygin, G.A., Ogarkov, S.L., Andriyash, A.V.: A dislocation kinetic model of the formation and propagation of intense shock waves in crystals. Phys. Solid State 55(4), 787–795 (2013)
Merzhievskii, L.A.: Deformation models under intense dynamic loading (review). Comb. Expl. Shock Waves 51(2), 269–283 (2015)
Luscher, D.J., Mayeur, J.R., Mourad, H.M., Hunter, A., Kenamond, M.A.: Coupling continuum dislocation transport with crystal plasticity for application to shock loading conditions. Int. J. Plast 76, 111–129 (2016)
Mayer, A.E., Khishchenko, K.V., Levashov, P.R., Mayer, P.N.: Modeling of plasticity and fracture of metals at shock loading. J. Appl. Phys. 113, 193508 (2013)
Mayer, A.E., Borodin, E.N., Krasnikov, V.S., Mayer, P.N.: Numerical modelling of physical processes and structural changes in metals under intensive irradiation with use of CRS code: dislocations, twinning, evaporation and stress waves. J. Phys.: Conf. Ser. 552, 012002 (2014)
Mayer, A.E., Mayer, P.N., Krasnikov, V.S., Pogorelko, V.V.: Multiscale models of metal behaviour and structural change under the action of high-current electron irradiation. J. Phys.: Conf. Ser. 830, 012072 (2017)
Agranat, M.B., Ashitkov, S.I., Komarov, P.S.: Metal behavior near theoretical ultimate strength in experiments with femtosecond laser pulses. Mech. Solids 49(6), 643–648 (2014)
Smith, R.F., Eggert, J.H., Rudd, R.E., Swift, D.C., Bolme, C.A., Collins, G.W.: High strain-rate plastic flow in Al and Fe. J. Appl. Phys. 110(12), 123515 (2011)
Kanel, G.I., Zaretsky, E.B., Razorenov, S.V., Ashitkov, S.I., Fortov, V.E.: Unusual plasticity and strength of metals at ultra-short load durations. Phys.-Usp. 60(5), 490–508 (2017)
Krasnikov, V.S., Kuksin, A.Yu, Mayer, A.E., Yanilkin, A.V.: Plastic deformation under high-rate loading: the multiscale approach. Phys. Solid State 52(7), 1386–1396 (2010)
Norman, G.E., Yanilkin, A.V.: Homogeneous nucleation of dislocations. Phys. Solid State 53(8), 1614–1619 (2012)
Krasnikov, V.S., Mayer, A.E.: Influence of local stresses on motion of edge dislocation in aluminum. Int. J. Plast. 101, 170–187 (2018)
Krasnikov, V.S., Mayer, A.E.: Dislocation dynamics in aluminum containing θ’ phase: atomistic simulation and continuum modeling. Int. J. Plast. (2019)
Mayer, A., Krasnikov, V., Pogorelko V.: Limit of ultra-high strain rates in plastic response of metals. In: Gdoutos, E. (eds) Proceedings of the First International Conference on Theoretical, Applied and Experimental Mechanics. ICTAEM 2018. Structural Integrity, vol. 5, pp. 273–278. Springer, Cham (2019)
Plimpton, S.: Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117, 1–19 (1995)
Stukowski, A.: Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool. Modell. Simul. Mater. Sci. Eng. 18, 015012 (2010)
Stukowski, A., Bulatov, V.V., Arsenlis, A.: Automated identification and indexing of dislocations in crystal interfaces. Modell. Simul. Mater. Sci. Eng. 20, 085007 (2012)
Hirel, P.: Atomsk: a tool for manipulating and converting atomic data files. Comput. Phys. Commun. 197, 212–219 (2015)
Acknowledgements
Investigation of aluminum is supported by the Russian Science Foundation (Project 18-71-10038); investigation of copper and magnesium is supported by the Ministry of Science and Higher Education of the Russian Federation (State task 3.2510.2017/4.6).
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2019 Springer Nature Switzerland AG
About this paper
Cite this paper
Mayer, A.E., Krasnikov, V.S. (2019). Molecular Dynamics Investigation of Dislocation Slip in Pure Metals and Alloys. In: Gdoutos, E. (eds) Proceedings of the Second International Conference on Theoretical, Applied and Experimental Mechanics. ICTAEM 2019. Structural Integrity, vol 8. Springer, Cham. https://doi.org/10.1007/978-3-030-21894-2_12
Download citation
DOI: https://doi.org/10.1007/978-3-030-21894-2_12
Published:
Publisher Name: Springer, Cham
Print ISBN: 978-3-030-21893-5
Online ISBN: 978-3-030-21894-2
eBook Packages: EngineeringEngineering (R0)