Atomistic simulations of mechanical properties of LaBr3 single crystals

Journal of Applied Physics

Volumn 107, Issue 12, 2010, Pages

  Zhou, X W ^a   Doty, F P ^a   Yang, P ^b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PLANES; ATOMISTIC SIMULATIONS; BASAL DISLOCATIONS; CLEAVAGE PLANE; CORE STRUCTURE; CRITICAL SHEAR STRESS; DISLOCATION LINES; EDGE AND SCREW DISLOCATIONS; EDGE DISLOCATION; FRACTURE MECHANISMS; FRACTURE STRAIN; INTERATOMIC POTENTIAL; LOADING DIRECTION; MANY-BODY; MOBILE DISLOCATIONS; MOLECULAR DYNAMICS SIMULATIONS; OUT-OF-PLANE; SLIP MECHANISM; SLIP PLANE; TENSILE LOADING; TENSILE TESTS; THEORETICAL STRENGTH;

EDGE DISLOCATIONS; FRACTURE; LOADING; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; PLASTIC DEFORMATION; POLYPROPYLENES; SINGLE CRYSTALS; STRESS ANALYSIS; STRESS INTENSITY FACTORS; TENSILE STRENGTH; TENSILE TESTING;

SCREW DISLOCATIONS;

EID: 77954192002     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3431357     Document Type: Article

References (19)

1. W. W. Moses, Nucl. Instrum. Methods Phys. Res. A NIMAER 0168-9002 487, 123 (2002). 10.1016/S0168-9002(02)00955-5 (Pubitemid 34732365)
2. A. Peurrung, Mater. Today MTOUAN 1369-7021 11, 50 (2008). 10.1016/S1369-7021(08)70019-1 (Pubitemid 351241237)
3. W. M. Higgins, A. Churilov, E. van Loef, J. Glodo, M. Squillante, and K. Shah, J. Cryst. Growth JCRGAE 0022-0248 310, 2085 (2008). 10.1016/j.jcrysgro. 2007.12.041
4. S. Groh, E. B. Marin, M. F. Horstemeyer, and D. J. Bammann, Modell. Simul. Mater. Sci. Eng. MSMEEU 0965-0393 17, 075009 (2009). 10.1088/0965-0393/ 17/7/075009
5. F. Hutchinson, M. Wilson, and P. A. Madden, J. Phys.: Condens. Matter JCOMEL 0953-8984 12, 10389 (2000). 10.1088/0953-8984/12/50/303 (Pubitemid 32086192)
6. X. W. Zhou and F. P. Doty, Phys. Rev. B PRBMDO 0163-1829 78, 224307 (2008). 10.1103/PhysRevB.78.224307
7. K. Krämer, T. Schleid, M. Schulze, W. Urland, and G. Meyer, Z. Anorg. Allg. Chem. ZAACAB 0044-2313 575, 61 (1989). 10.1002/zaac.19895750109
8. W. H. Zachariasen, Acta Crystallogr. ABCRE6 0907-4449 1, 265 (1948). 10.1107/S0365110X48000703
9. J. D. H. Donnay and H. M. Ondik, crystal data, determinative tables, 3rd ed., Vol. 2 (inorganic compounds), U. S. Department of Commerce, National Bureau of Standards, and Joint Committee on Powder Diffraction Standards, U. S. A., 1973.
10. D. Zamir and D. S. Schreiber, Phys. Rev. PRVAAH 0096-8250 136, A1087 (1964). 10.1103/PhysRev.136.A1087
11. I. Barin, Thermochemical Data of Pure Substances (VCH, Weinheim, 1993).
12. D. Rodney and G. Martin, Phys. Rev. B PRBMDO 0163-1829 61, 8714 (2000). 10.1103/PhysRevB.61.8714
13. Y. N. Osetsky and D. J. Bacon, Modell. Simul. Mater. Sci. Eng. MSMEEU 0965-0393 11, 427 (2003). 10.1088/0965-0393/11/4/302
14. M. S. Daw, S. M. Foiles, and M. I. Baskes, Mater. Sci. Rep. MSREEL 0920-2307 9, 251 (1993). 10.1016/0920-2307(93)90001-U
15. T. Rasmussen, K. W. Jacobsen, T. Leffers, and O. B. Pedersen, Phys. Rev. B PRBMDO 0163-1829 56, 2977 (1997). 10.1103/PhysRevB.56.2977
16. S. J. Plimpton, LAMMPS, Sandia National Laboratories, 2008: http://lammps.sandia.gov/
17. J. A. Zimmerman, C. L. Kelchner, P. A. Klein, J. C. Hamilton, and S. M. Foiles, Phys. Rev. Lett. PRLTAO 0031-9007 87, 165507 (2001). 10.1103/PhysRevLett.87.165507
18. V. Vitek, Cryst. Lattice Defects CLADA8 0011-2305 5, 1 (1974).
19. J. Zimmerman, J. E. Webb III, J. Hoyt, R. Jones, P. Klein, and D. Bammann, Modell. Simul. Mater. Sci. Eng. MSMEEU 0965-0393 12, S319 (2004). 10.1088/0965-0393/12/4/S03