Vacancy effect on the elastic constants of layer-structured nanomaterials

Theoretical and Applied Fracture Mechanics

Volumn 51, Issue 3, 2009, Pages 195-201

  Karakasidis, T E ^a   Charitidis, C A ^b  

^a UNIVERSITY OF THESSALY   (Greece)

^b NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

Author keywords

Elastic constants; Grain boundaries; Mechanical properties; Molecular dynamics; Nanostructured materials; Vacancies

Indexed keywords

ALTERNATING LAYERS; ATOMISTIC SIMULATIONS; BULK VALUE; ELASTIC PROPERTIES; EXPERIMENTAL METHODS; EXTERNAL STRESS; FABRICATION METHOD; HIGH ANGLE GRAIN BOUNDARIES; HOMOGENEOUS DEFORMATION; LAYER WIDTH; LENNARD-JONES POTENTIAL; MODEL SYSTEM; MULTI-SCALE MODELLING; NANO-MATERIALS; SYSTEM ENERGY; VACANCY EFFECTS;

ELASTICITY; GRAIN BOUNDARIES; GRAIN SIZE AND SHAPE; MECHANICAL PROPERTIES; METAL ANALYSIS; MOLECULAR DYNAMICS; NANOCRYSTALLITES; NANOSTRUCTURED MATERIALS; SYSTEMS ENGINEERING; VACANCIES; VIBRATIONS (MECHANICAL);

ELASTIC CONSTANTS;

EID: 67649452485     PISSN: 01678442     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tafmec.2009.05.007     Document Type: Article

References (35)

1. Gleiter H. Nanocrystalline materials. Prog. Mater. Sci. 33 (1989) 223-315
2. Gleiter H. Nanocrystalline solids. J. Appl. Crystallogr. 24 (1991) 79-90
3. Meyers M.A., Mishra A., and Benson D.J. Mechanical properties of nanocrystalline materials. Prog. Mater. Sci. 51 (2006) 427-556
4. Wolf D., Yamakov V., Philpot S.R., Mukherjee A., and Gleiter H. Deformation of nanocrystalline materials by molecular-dynamics simulation: relationship to experiments?. Acta Mater. 53 (2005) 1-40
5. Kocks U.F., and Mecking H. Physics and phenomenology of strain hardening: the FCC case. Progr. Mater. Sci. 48 (2003) 171-273
6. Masumura R.A., Hazzledine P.M., and Pande C.S. Yield stress of fine grained materials. Acta Mater. 46 (1998) 4527-4534
7. Sakai S., Tanimoto H., and Mizubayashi H. Mechanical behavior of high-density nanocrystalline gold prepared by gas deposition method. Acta Mater. 47 (1998) 211-217
8. Tanimoto H., Sakai S., Otuka K., Kita E., and Mizubayashi H. Underlying mechanisms for unique elastic properties of nanocrystalline Au. Mater. Sci. Eng. A 370 (2004) 177-180
9. Weller M., Diehl J., and Schaefer H.E. Shear modulus and internal-friction in nanometer-sized polycrystalline palladium. Philos. Mag. A 63 (1991) 527-533
10. Okuda S., Tang F., Tanimoto H., and Iwamoto Y. Anelasticity of ultrafine-grained polycrystalline gold. J. Alloys Compd. 211/212 (1994) 494-497
11. Hafner J. Atomic-scale computational materials science. Acta Mater. 48 (2000) 71-92
12. Karakasidis T.E., and Charitidis C.A. Multiscale modeling in nanomaterials science. Mater. Sci. Eng. C 27 (2007) 1082-1089
13. Vvedensky D.D. Multiscale modelling of nanostructures. J. Phys. Condens. Matter 16 (2004) R1537-R1576
14. Kumar K.S., Van Swygenhoven H., and Suresh S. Mechanical behavior of nanocrystalline metals and alloys. Acta Mater. 51 (2003) 5743-5774
15. Karakasidis T.E., Charitidis C.A., Skarakis D., and Chouliaras F. Elastic properties of nanostructured materials with layered grain boundary structure. Surf. Sci. 601 (2007) 3521-3527
16. Mehl M.J. Pressure-dependence of the elastic-moduli in aluminum-rich Al-Li compounds. Phys. Rev. B 47 (1993) 2493-2500
17. Sutton A.P., and Balluffi R.W. Interfaces in Crystalline Materials (1995), Oxford University Press, Oxford, New York
18. Ciccotti G., Guillopé M., and Pontikis V. High-angle grain-boundary premelting transition - a molecular-dynamics study. Phys. Rev. B 27 (1983) 5576-5585
19. Karakasidis T., and Meyer M. Grain-boundary diffusion of cation vacancies in nickel oxide: a molecular-dynamics study. Phys. Rev. B 55 (1997) 13853-13864
20. Karakasidis T.E. Vibrational properties of a Sigma 5(3 1 0)[0 0 1] NiO grain boundary: a local analysis by molecular dynamics simulation. Surf. Sci. 515 (2002) 1-12
21. Campbell G.H., Belak J., and Moriarty J.A. Atomic structure of the sigma 5(3 1 0)/[0 0 1] symmetric tilt grain boundary in tantalum. Scripta Mater. 43 (2000) 659-664
22. Campbell G.H., Plitzko J.M., King W.E., Foiles S.M., Kisielowski C., and Duscher G.J.M. Copper segregation to the sigma 5(3 1 0)/[0 0 1] symmetric tilt grain boundary in aluminium. Interf. Sci. 12 (2004) 165-174
23. Pushkarchuk A.L., Saad A.M., Fedotov A.K., and Kuten S.A. Simulation of carbon containing complexes at silicon-silicon grain boundaries in cluster approximation. Thin Solid Films 487 (2005) 142-146
24. F. Shimizu, H. Kimizuka, H. Kaburaki, J. Li, S. Yip, in: Proceedings of the Fourth International Conference on Supercomputing for Nuclear Applications, 2000.
25. Kodiyalam S., Kalia R.K., Kikuchi H., Nakano A., Shimojo F., and Vashishta P. Grain boundaries in gallium arsenide nanocrystals under pressure: a parallel molecular-dynamics study. Phys. Rev. Lett. 86 (2001) 51-58
26. Benkabou F. Temperature effect on thermomechanical properties of beryllium chalcogenides BeS, BeSe and BeTe. Mod. Phys. Lett. B 20 (2006) 49-61
27. Sahara R., Shishido T., Nomura A., Kudou K., Okada S., Kumar V., Nakajima K., and Kawazoe Y. A first principles study of the elastic properties in perovskite-type RRh3B and RRh3C with R = Sc, Y and La. Comput. Mater. Sci. 36 (2006) 12-16
28. Soderlind P., Landa A., Sadigh B., Vitos L., and Ruban A. First-principles elastic constants and phonons of delta-Pu. Phys. Rev. B 70 (2004) 144103
29. Kittel C. Introduction to Solid State Physics. sixth ed. (1986), Wiley, New York
30. Bennett C.H. In: Nowick A.S., and Burton J.J. (Eds). Diffusion in Solids. Recent Developments (1975), Academic Press, New York 73
31. Qin X.Y., Zhang X.R., Cheng G.S., and Zhang L.D. The elastic properties of nanostructured Ag measured by laser ultrasonic technique. Nanostruct. Mater. 4 (1998) 661-672
32. Loffler J., and Weissmuller J. Grain-boundary atomic-structure in nanocrystalline palladium from X-ray atomic distribution-functions. Phys. Rev. B 52 (1995) 7076-7093
33. Korn D., Morsch A., Birringer R., Arnold W., and Gleiter H. Measurements of the elastic-constants, the specific-heat and the entropy of grain-boundaries by means of ultra-fine grained materials. J. Phys. (Paris) 49 C-5 (1988) 769-779
34. Nieman G.W., Weertman J.R., and Siegel R.W. Microhardness of nanocrystalline palladium and copper produced by inert-gas condensation. Scripta Metall. 23 (1989) 2013-2018
35. Hasnaoui A., Van Swygenhoven H., and Derlet P.M. On non-equilibrium grain boundaries and their effect on thermal and mechanical behaviour: a molecular dynamics computer simulation. Acta Mater. 50 (2002) 3927-3939