Dependence of equilibrium stacking fault width in fcc metals on the γ-surface

Modelling and Simulation in Materials Science and Engineering

Volumn 21, Issue 2, 2013, Pages

  Hunter, A ^a   Zhang, R F ^a   Beyerlein, I J ^a   Germann, T C ^a   Koslowski, M ^b  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b Purdue University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISLOCATION DYNAMICS MODELS; ENERGY DIFFERENCES; EXTENDED DISLOCATIONS; FCC METALS; LOW STACKING FAULT ENERGIES; PARAMETRIZATIONS; PARTIAL DISLOCATIONS; PHASE FIELD MODELS; PHASE FIELDS; STACKING FAULT ENERGIES;

DENSITY FUNCTIONAL THEORY; PHASE INTERFACES;

SURFACES;

EID: 84874319323     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/21/2/025015     Document Type: Article

References (83)

1. Angelo J E, Moody N R and Baskes M I 1995 Trapping of hydrogen to lattice defect in nickel Modelling Simul. Mater. Sci. Eng. 3 289-307
2. Asaro R J, Krysl P and Kad B 2003 Deformation mechanism transitions in nanoscale fcc metals Phil. Mag. Lett. 83 733-43
3. Asaro R J and Suresh S 2005 Mechanistic models for the activation volume and rate sensitivity in metals with nanocrystalline grains and nano-scale twins Acta Mater. 53 3369-82 (Pubitemid 40761048)
4. Aslanides A and Pontikis V 1998 Atomistic study of dislocation cores in aluminum and copper Comput. Mater. Sci. 10 401-5 (Pubitemid 128450397)
5. Aubry S and Hughes D A 2006 Reductions in stacking fault widths in fcc crystals: semiempirical calculations Phys. Rev. B 73 224116-31 (Pubitemid 43967804)
6. Balk T J and Hemker K J 2001 Experimental observations of dislocation core structures in gold and iridium Mater. Sci. Eng. A 309-310 108-112 (Pubitemid 32540983)
7. Beyerlein I J, Tóth L S, Tóme C N and Suwas S 2007 Role of twinning on texture evolution of silver during equal channel angular extrusion Phil. Mag. 87 885-906 (Pubitemid 46278926)
8. Blöchl P E 1994 Projector augmented-wave method Phys. Rev. B 50 17953-79
9. Brandl C, Derlet P M and VanSwygenhoven H 2007 General-stacking-fault energies in highly strained metallic environments: Ab initio calculations Phys. Rev. B 76 054124
10. Bulatov V V, Richmond O and Glazov M V 1999 An atomistic dislocation mechanism of pressure-dependent plastic flow in aluminum Acta Mater. 47 3507-14 (Pubitemid 30517227)
11. Chen M, Ma E, Hemker K J, Sheng H, Wang Y and Cheng X 2003 Deformation twinning in nanocrystalline aluminum Science 300 1275-7 (Pubitemid 36618235)
12. Cockayne D J H, Jenkins M L and Ray I L F 1971 Measurement of stacking-fault energies of pure face-centered cubic metals Phil. Mag. 24 1383-92
13. Copley S M and Kear B H 1968 The dependence of the width of a dissociated dislocation on dislocation velocity Acta Mater. 16 227-31
14. Douin J, Pettinari-Sturmel F and Coujou A 2007 Dissociated dislocations in confined plasticity Acta Mater. 55 6453-8 (Pubitemid 47562835)
15. Every A G and McCurdy A K (ed) 1992 Second and Higher Order Elastic Constants, Landolt-Börnstein, New Series, Group III vol 29A (Berlin: Springer)
16. Farkas D and Curtin W. A 2005 Plastic deformation mechanisms in nanocrystalline columnar grain structures Mater. Sci. Eng. 412 316-22 (Pubitemid 41762259)
17. Ghosh G 2008 Phase stability and cohesive properties of au-sn intermetallics: a first-principles study J. Mater. Res. 23 1398-416 (Pubitemid 351771870)
18. Gu P, Dao M, Asaro R J and Suresh S 2011 A unified mechanistic model for size-dependent deformation in nanocrystalline and nano twinned metals Acta Mater. 59 6861-8
19. Hartley C S and Mishin Y 2005 Representation of dislocation cores using nye tensor distributions Mater. Sci. Eng. A 400-401 18-21 (Pubitemid 40935866)
20. Hirth J P and Lothe J 1968 Theory of Dislocations (New York: McGraw-Hill)
21. Hirth J P and Lothe J 1992 Theory of Dislocations (Malbar, FL: Krieger)
22. Höllerbauer W and Karnthaler H P 1981 Beitr. Elektronenmikroskop. Direktabb. Oberfl. 14
23. Hull D and Bacon D J 2001 Introduction to Dislocations (Oxford: Elsevier Butterworth-Heinemann)
24. Hunter A, Beyerlein I J, Germann T C and Koslowski M 2011 Infuence of the stacking fault energy surface on partial dislocations in fcc metals with a three-dimensional phase field model Phys. Rev. B 84 1-10
25. Hunter A and Koslowski M 2008 Direct calculation of material parameters for gradient plasticity J. Mech. Phys. Solids 56 3181-90
26. Hunter A, Saied F, Le C and Koslowski M 2010 Large scale 3D phase field dislocation dynamics simulations on high performance architectures Int. J. High Performance Comput. 25 223-35
27. Jenkins M L 1972 Measurement of the stacking-fault energy of gold using the weak-beam technique of electron microscopy Phil. Mag. 26 747-51
28. Jin Z H, Dunham S T, Gleiter H, Hahn H and Gumbsch P 2011 A universal scaling of planar fault energy barriers in face-centered cubic materials Scr. Metall. 64 605-8
29. Kibey S, Liu J B, Johnson D D and Sehitoglu H 2007 Predicting twinning stress in fcc metals: linking twin-energy pathways to twin nucleation Acta Mater. 55 6843-51 (Pubitemid 350052007)
30. Koslowski M, Cuitiño A and Ortiz M 2002 A phase-field theory of dislocations dynamics, strain hardening and hysteresis in ductile single crystals J. Mech. Phys. Solids 50 2957-635 (Pubitemid 35152374)
31. Koslowski M 2007 Scaling laws in plastic deformation Phil. Mag. 87 1175-84 (Pubitemid 46278897)
32. Koslowski M 2010 Effect of grain size distribution on plastic strain recovery Phys. Rev. B 82 054110
33. Kresse G and Furthmüller J 1996 Efficiency of ab initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput. Mater. Sci. 6 15-50 (Pubitemid 126412269)
34. Kresse G and Furthmüller J 1996 Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 54 11169-86
35. Kresse G and Joubert D 1999 From ultrasoft psuedopotentials to the projector augmented-wave method Phys. Rev. B 59 1758-75
36. Kuksin V V, Stegailov A Y and Yanilkin A V 2008 Molecular-dynamics simulation of edge-dislocation dynamics in aluminum Dokl. Phys. 53 287-91
37. Lee D W, Kim H, Strachan A and Koslowski M 2011 Effect of core energy on the mobility in a continuum dislocation model Phys. Rev. B 83 104101
38. Lei L and Koslowski M 2011 Mesoscale modeling of dislocations in molecular crystals Phil. Mag. 91 865-78
39. Liao X Z, Srinivasan S G, Zhao Y H, Baskes M I and Zhu Y T 2004 Formation mechanism of wide stacking faults in nanocrystalline Al Appl. Phys. Lett. 84 3564-6
40. Liao X Z, Zhou F, Lavernia E J, Srinivasan S G, Baskes M I, He D W and Zhu Y T 2003 Deformation mechanism in nanocrystalline Al: partial dislocation slip Appl. Phys. Lett. 84 632-4
41. Lu G, Kioussis N, Bulatov V V and Kaxiras E 2001 Dislocation core properties of aluminum: a first-principles study Mater. Sci. Eng. A 309-310 142-7 (Pubitemid 32540991)
42. Lu G, Tadmor E B and Kaxiras E 2006 From electrons to finite elements: a concurrent multiscale approach for metals Phys. Rev. B 73 1-4 (Pubitemid 43273413)
43. Martinez E, Marian J, Arsenlis A, Victoria M and Perlado J M 2008 Atomistically informed dislocation dynamics in fcc crystals J. Mech. Phys. Solids 56 869-95 (Pubitemid 351248891)
44. Methfessel M and Paxton A T 1989 High-precision sampling for Brillouin-zone integration in metals Phys. Rev. B 40 3616-21
45. Mishin Y, Farkas D, Mehl M J and Papaconstantopoulos D A 1999 Interatomic potentials for monatomic metals from experimental data and ab initio calculations Phys. Rev. B 59 3393-407
46. Monkhorst H J and Pack J D 1976 Special points for Brillouin-zone integrations Phys. Rev. B 13 5188-92
47. Nabarro F R N 1947 Dislocations in a simple cubic lattice Proc. Phys. Soc. 59 256-72
48. Ogata S, Li J and Yip S 2002 Ideal pure shear strength of aluminum and copper Science 298 807-11 (Pubitemid 35231529)
49. Ogata S, Li J and Yip S 2005 Energy landscape of deformation twinning in bcc and fcc metals Phys. Rev. B 71 1-11 (Pubitemid 41717910)
50. Olmsted D L and Phillips R D 2011 unpublished
51. Ortiz M and Phillips R 1999 Nanomechanics of defects in solids Adv. Appl. Mech. 36 1-79
52. Peierls R 1940 The size of a dislocation Proc. Phys. Soc. 52 24-37
53. Perdew J P, Chevary J A, Vosko S H, Jackson K A, Pederson M R, Singh D J and Fiolhais C F 1992 Atoms, molecules, solids and surfaces - applications of the generalized gradient approximation for exchange and correlation Phys. Rev. B 46 6671-87
54. Qi Y, Strachan A, Cagin T and Goddard W A III 2001 Large scale atomistic simulations of screw dislocation structure, anihilation and cross-slip in fcc Ni Mater. Sci. Eng. A 309-310 156-9 (Pubitemid 32540994)
55. Rice J R 1992 Dislocation nucleation from a crack tip - an analysis based on the Peierls concept J. Mech. Phys. Solids 40 239-71
56. Schoeck G 2001 The core structure, recombination energy and Peierls energy for dislocations in Al Phil. Mag. A 81 1161-76
57. Schoeck G 2002 The core structure of dislocation in Al: a critical assessement Mater. Sci. Eng. A 333 390-6 (Pubitemid 34789132)
58. Schoeck G 2009 The cross-slip energy unresolved 2009 Phil. Mag. Lett. 89 505-15
59. Shen C and Wang Y 2004 Incorporation of γ-surface to phase field model of dislocation:simulating dislocation dissociation in fcc crystals Acta Mater. 52 683-91
60. Shimokawa T, Kinari T, Shintaku S, Nakatani A and Kitagawa H 2005 Defect-induced anisotropy in mechanical propoerties of nanocrystalline dynamics simulations Modelling Simul. Mater. Sci. Eng. 13 1217-31 (Pubitemid 41781815)
61. Souvatzis P and Eriksson O 2008 Ab initio calculations of the phonon spectra and the thermal expansion coefficients of the 4d metal Phys. Rev. B 77 024110
62. Srinivasen S G, Liao X Z, Baskes M I, McCabe R J, Zhao Y H and Zhu Y T 2005 Compact and dissociated dislocation in aluminum: implications for deformation Phys. Rev. Lett. 94 1-4 (Pubitemid 40620553)
63. Stobbs W M and Sworn C H 1971 Weak bean technique as applied to determination of stacking-fault energy of copper Phil. Mag. 24 1365-81
64. Szelestey P, Patriarca M and Kaski K 2003 Computational study of core structure and Peierls stress of dissociated dislocationsin nickel Modelling Simul. Mater. Sci. Eng. 11 883-95
65. Tadmor E B and Hai S 2003 A Peierls criterion for the onset of deformation twinning at a crack tip J. Mech. Phys. Solids 51 765-93
66. Van Swygenhoven H, Derlet P M and Froseth A G 2004 Stacking fault energies and slip in nanocrystalline metals Nature 3 399-403
67. Venables J A 1964 The electron microscopy of deformation twinning J. Phys. Chem. Solids 25 685-92
68. Vitek V 1968 Intrinsic stacking faults in body-centered cubic crystals Phil. Mag. 18 773-86
69. Vo N Q, Averback R S, Bellon P, Odunuga S and Caro A 2008 Quantitative description of plastic deformation in nanocrystalline Cu: dislocation glide versus grain boundary sliding Phys. Rev. B 77 1-9
70. Wang H and Li M 2009 Ab initio calculations of second-, third- and fourth-order elastic constants for single crystals Phys. Rev. B 79 224102
71. Wang R and Fang Q F 2000 Core structure and mobility of an edge dislocation in aluminum J. Alloys Compounds 310 80-4
72. Wang R, Wang S and Wu X 2011 Edge dislocation core structures in fcc metals determined from ab initio calculations combined with the improved Peierls-Nabarro equation Phys. Scr. 83 1-7
73. Wang Y U, Jin Y M, Cuitiño A M and Khachaturyan A G 2001 Nanoscale phase field microelasticity theory of dislocations: model and 3D simulations Acta Mater. 49 1847-57 (Pubitemid 32427386)
74. Wang Z Q and Beyerlein I J 2008 Stress orientation and relativistic effects on the separation of moving screw dislocations Phys. Rev. B 77 1-14
75. Wen M, Fukuyama S and Yokogawa K 2004 Hydrogen-affected cross-slip process in fcc nickel Phys. Rev. B 69 1-6
76. Wen M, Fukuyama S and Yokogawa K 2005 Atomistic simulations of hydrogen effect on dissociation of screw dislocations in nickel Scr. Mater. 52 959-62 (Pubitemid 40304886)
77. Woodward C, Trinkle D R, Hector L G Jr and Olmsted D L 2008 Prediction of dislocation cores in aluminum from density functional theory Phys. Rev. Lett. 100 1-4 (Pubitemid 351198049)
78. Wu X, Shaofeng W and Zhang H 2008 Extended core structure of dissociated edge dislocations in fcc crystals with consideration of discreteness Acta Mech. Solida Sin. 21 403-10
79. Yamakov V, Wolf D, Phillpot S R, Mukherjee A K and Gleiter H 2002 Dislocation processes in the deformation of nanocrystalline aluminum by molecular-dynamics simulation Nature 1 45-8
80. Yamakov V, Wolf D, Salazar M, Phillpot S R and Gleiter H 2001 Length-scale effects in the nucleation of extended dislocation in nanocrystalline Al by molecular-dynamics simulation Acta Mater. 49 2713-22 (Pubitemid 32672836)
81. Zhang R F, Veprek S and Argon A S 2007 Mechanical and electronic properties of hard rhenium diboride of low elastic compressibility studied by first-principles calculation Appl. Phys. Lett. 91 201914 (Pubitemid 350128888)
82. Zhao Y H, Liao X Z, Zhu Y T, Horita Z and Langdon T G 2005 Influence of stacking fault energy on nanostructure formation under high pressure torsion Mater. Sci. Eng. A 410 188-93 (Pubitemid 41781453)
83. Zhu Y T, Liao X Z, Srinivasan S G and Lavernia E J 2005 Nucleation and deformation twins in nanocrystalline face-centered-cubic metals by severe plastic deformation J. Appl. Phys. 98 1-8 (Pubitemid 41204827)