Multiscale modelling of nanomechanics and micromechanics: An overview

Philosophical Magazine

Volumn 83, Issue 31-34, 2003, Pages 3475-3528

  Ghoniem, Nasr M ^a   Busso, Esteban P ^b   Kioussis, Nicholas ^c   Huang, Hanchen ^d  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

^c CALIFORNIA STATE UNIVERSITY   (United States)

^d RENSSELAER POLYTECHNIC INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; CONTINUUM MECHANICS; CRACKS; DEGREES OF FREEDOM (MECHANICS); EQUATIONS OF MOTION; MICROSTRUCTURE; NUCLEATION; PLASTIC DEFORMATION; QUANTUM THEORY; STATISTICAL MECHANICS;

BORN-OPPENHEIMER ADIABATIC APPROXIMATION; LANGEVIN DYNAMICS;

MATERIALS SCIENCE;

EID: 0346266119     PISSN: 14786435     EISSN: None     Source Type: Journal    
DOI: 10.1080/14786430310001607388     Document Type: Conference Paper

References (284)

1. ABRAHAM, F. F., BROUGHTON, J. Q., BERNSTEIN, N., and KAXIRAS, E., 1987, Comput. Phys., 12, 538.
2. ACHARYA, A., and BEAUDOIN, A., 2000, J. Mech. Phys. Solids, 48, 2213.
3. ACKLAND, G. J., and VITEK, V., 1990, Phys. Rev. B, 41, 10 324.
4. AIFANTIS, E., 1987, Int. J. Plast., 95, 211.
5. AJAYAN, P. M., RAVIKUMAR, V., and CHARLIER, J.-C., 1998, Phys. Rev. Lett., 81, 1437.
6. AMODEO, R., and GHONIEM, N. M., 1988, Res Mech., 23, 137; 1990a, Phys. Rev., 41, 6958; 1990b, ibid., 41, 6968; 1991, Modeling of Deformation of Crystalline Solids, edited by P. F. T. Lowe, T. Rollett and G. Daehn (Warrendale, Pennsylvania: Metallurgical Society of AIME), p. 125.
7. AMODEO, R., and GHONIEM, N. M., 1988, Res Mech., 23, 137; 1990a, Phys. Rev., 41, 6958; 1990b, ibid., 41, 6968; 1991, Modeling of Deformation of Crystalline Solids, edited by P. F. T. Lowe, T. Rollett and G. Daehn (Warrendale, Pennsylvania: Metallurgical Society of AIME), p. 125.
8. AMODEO, R., and GHONIEM, N. M., 1988, Res Mech., 23, 137; 1990a, Phys. Rev., 41, 6958; 1990b, ibid., 41, 6968; 1991, Modeling of Deformation of Crystalline Solids, edited by P. F. T. Lowe, T. Rollett and G. Daehn (Warrendale, Pennsylvania: Metallurgical Society of AIME), p. 125.
9. AMODEO, R., and GHONIEM, N. M., 1988, Res Mech., 23, 137; 1990a, Phys. Rev., 41, 6958; 1990b, ibid., 41, 6968; 1991, Modeling of Deformation of Crystalline Solids, edited by P. F. T. Lowe, T. Rollett and G. Daehn (Warrendale, Pennsylvania: Metallurgical Society of AIME), p. 125.
10. ANAND, L., and KOTHARI, M., 1996, J. Mech. Phys. Solids, 44, 525.
11. ANISIMOV, V., 2000, Strong Coulomb Correlations in Electronic Structure Calculations: Beyond the Local Density Approximation (New York: Gordon and Breach).
12. ANISIMOV, V. I., ZAANEN, J., and ANDERSEN, O., 1991, Phys. Rev. B, 44, 943.
13. ARSENLIS, A., and PARKS, D., 2001, J. Mech. Phys. Solids, 50, 1979.
14. ASARO, R. J., and NEEDLEMAN, A., 1985, Acta metall., 33, 309.
15. ASARO, R. J., and RICE, J. R., 1977, J. Mech. Phys. Solids, 25, 309.
16. ASHCROFT, N. W., and MERMIN, N. D., 1976, Solid State Physics (Philadelphia, Pennsylvania: Saunders College).
17. BAKER, S., 1993, Mater. Res. Soc. Symp. Proc., 308, 209.
18. BARBE, F., DECKER, I., JEULIN, D., and CAILLETAUD, G., 2002, Int. J. Plast., 17, 513.
19. BARTS, D. B., and CARLSSON, A. E., 1995, Phys. Rev. E, 52, 3195; 1998, Phil. Mag. A, 77, 751.
20. BARTS, D. B., and CARLSSON, A. E., 1995, Phys. Rev. E, 52, 3195; 1998, Phil. Mag. A, 77, 751.
21. BASKES, M. I., 1987, Phys. Rev., Lett., 59, 2666; 2001, J. Mech. Phys. Solids, 49, 1983.
22. BASKES, M. I., 1987, Phys. Rev., Lett., 59, 2666; 2001, J. Mech. Phys. Solids, 49, 1983.
23. BATIREV, I. G., ALAVI, A., FINNIS, M. W., and DEUTSCH, T., 1999, Phys. Rev. Lett., 82, 1510.
24. BATTAILE, C. C., and SROLOVITZ, D. J., 1997, J. appl. Phys., 82, 6293.
25. BEELER, J. R., 1982, Radiation Effects Computer Experiments (Amsterdam: North-Holland).
26. BERVEILLER, B., and ZAOUI, A., 1979, J. Mech. Phys. Solids, 26, 325.
27. BESSON, J., CAILLETAUD, G., CHABOCHE, J.-L., and FOREST, S., 2002, Mecanique Non-Linéaire des Matériaux, first edition (Paris: Hermes Science).
28. BORTZ, A. B., KALOS, M. H., and LEBOWITZ, J. L., 1975, J. Comput. Phys., 17, 10.
29. BROWN, L. M., 1967, Phil. Mag., 15, 363.
30. BULATOV, V. V., ABRAHAM, F. F., KUBIN, L., DEVINCRE, B., and YIP, S., 1998, Nature, 391, 669.
31. BULATOV, V. V., YIP, S., and ARGON, A. S., 1995, Phil. Mag. A, 72, 453.
32. BUSSO, E., and CAILLETAUD, G., 2003, J. Phys. Paris, IV, 105, 255.
33. BUSSO, E., and MCCLINTOCK, F., 1996, Int. J. Plast., 12, 1.
34. BUSSO, E. P., MEISSONNIER, F. T., and O'DOWD, N. P., 2000, J. Mech. Phys. Solids, 48, 2333.
35. CAI, W., DE KONING, M., BULATOV, V. V., and YIP, S., 2000, Phys. Rev. Lett., 85, 3213.
36. CAMPBELL, G., FOILES, S., HUANG, H., HUGHES, D., KING, W., LASSILA, D., NIKKEL, D., DIAZ DE LA RUBIA, T., SHU, J. Y., and SMYSHLYAEV, V. P., 1998, Mater. Sci. Engng, A251, 1.
37. CANOVA, G., BRECHET, Y., and KUBIN, L. P., 1992, Modeling of Plastic Deformation and its Engineering Applications, edited by S. I. Anderson,-J. B. Bilde-Sorensen, N. Hansen, D. Juul Jensen, T. Leffers, H. Lilholt, T. Lorentzen, O. B. Pedersen, and B. Ralph (Risø, Roskilde: Risø National Laboratory).
38. CANOVA, G., BRECHET, Y., KUBIN, L. P., DEVINCRE, B., PONTIKIS, V., and CONDAT, M., 1993, Microstructures and Physical Properties, edited by J. Rabiet (Geneva: CH-Transtech).
39. CAR, R., and PARRINELLO, M., 1985, Phys. Rev. Lett., 55, 2471.
40. CHAN, S.-P., CHEN, G., GONG, X., and LIU, Z., 2001, Phys. Rev. Lett., 87, 205 502.
41. CHANG, J. P., CAI, W., BULATOV, V. V., and YIP, S., 2001, Mater. Sci. Engng, A309, 160.
42. CHEN, N. X., 1990, Phys. Rev. Lett., 64, 1193.
43. CLERI, F., WOLF, D., YIP, S., and PHILLPOT, S. R., 1997, Acta mater., 45, 4993.
44. COHEN, R. E., MEHL, M., and PAPACONSTANTOPOULOS, D. A., 1994, Phys. Rev. B, 50, 14 694.
45. CRISFIELD, M. A., 1997, Non-linear Finite Element Analysis of Solids and Structures, Vols 1 and 2, fourth edition (New York: Wiley).
46. CUITIÑO, A. M., and ORTIZ, M., 1992, Modelling Simulation Mater. Sci. Engng, 1, 225.
47. DAW, M., and BASKES, M., 1983, Phys. Rev. Lett., 50, 1285; 1984, Phys. Rev. B, 29, 6443.
48. DAW, M., and BASKES, M., 1983, Phys. Rev. Lett., 50, 1285; 1984, Phys. Rev. B, 29, 6443.
49. DENTENEER, P. J., and VAN HAERINGEN, W., 1985, J. Phys. C, 18, 4127.
50. DeVINCRE, B., and CONDAT, M., 1992, Acta metall., 40, 2629.
51. DEVINCRE, B., and KUBIN, L. P., 1994, Modelling Simulation Mater. Sci. Engng, 2, 559.
52. DeVINCRE, B., PONTIKIS, V., BRECHET, Y., CANOVA, G., CONDAT, M., and KUBIN, L. P., 1992, Microscopic Simulations of Complex Hydrodynamic Phenomena, edited by M. Mareschal and B. L. Lolian (New York: Plenum), p. 413.
53. DEWlT, R., 1960, Solid. St. Phys., 10, 249.
54. DORAN, D. G., 1970, Radiat. Effects, 2, 249.
55. DREIZLER, R. M., and GROSS, E. K. U., 1990, Density Functional Theory (Berlin: Springer).
56. DUESBERY, M. S., and VITEK, V., 1998, Acta mater., 46, 1481.
57. DUMITRICA, T., BELYTSCKO, T., and YAKOBSON, B. I., 2003, J. chem. Phys., 118, 9485.
58. DÜRR, M., RASCHKE, M. B., PEHLKE, E., and HÖFER, U., 2001, Phys. Rev. Lett., 86, 123.
59. DYKSTRA, C. E., 1988, Ab initio Calculation of the Structure and Properties of Molecules (Amsterdam: Elsevier).
60. El-AZAB, A., 2000, Phys. Rev. B, 61, 11956.
61. ERB, U., PALUMBO, G., ZUGIC, R., and AUST, K., 1996, Treatise on Materials Science and Engineering (Pittsburgh, Pennsylvania: The Minerals, Metals and Materials Research Society), p. 93.
62. ERCOLESSI, F., and ADAMS, J., 1994, Europhys. Lett., 26, 583.
63. ERCOLESSI, F., TOSATTI, E., and PARRINELLO, M., 1986, Phys. Rev. Lett., 57, 719.
64. ESCHE, S. K., KINZEL, G. L., and ALTAN, T., 1997, Int. J. numer. Meth. Engng, 40, 4577.
65. ESCHRIG, H., 1989, Optimized LCAO Method and the Electronic Structure of Extended Systems (Berlin: Springer).
66. ESHELBY, J. D., 1957, Proc. R. Soc. A, 241, 376.
67. ESSMANN, U., and MUGHRABI, H., 1979, Phil. Mag. A, 40, 731.
68. FINNIS, M., and SINCLAIR, J., 1984, Phil. Mag. A, 50, 45.
69. FLECK, N. A., and HUTCHINSON, J., 1997, Adv. appl. Mech., 33, 295; 2001, J. Mech. Phys. Solids, 49, 2245.
70. FLECK, N. A., and HUTCHINSON, J., 1997, Adv. appl. Mech., 33, 295; 2001, J. Mech. Phys. Solids, 49, 2245.
71. FOREST, S., 1998, Acta mater., 46, 3265.
72. FRAUENHEIM, T., POREZAG, D., ELSTNER, M., JUNGNICKEL, G., ELSNER, J., HAUGK, M., and SIECK, A., 1998, Mater. Res. Soc. Symp. Proc., 491, 91.
73. FULDE, P., 1993, Electron Correlations in Molecules and Solids (Berlin: Springer).
74. GALLI, G., and MAURI, F., 1994, Phys. Rev. Lett., 73, 3471.
75. GAO, H., and HUANG, Y., 2003, Scripta metall, 48, 113.
76. GAVAZZA, S., and BARNETT, D., 1976, J. Mech. Phys. Solids, 24, 171.
77. GEAR, C., 1971, Numerical Initial Value Problems in Ordinary Differential Equations (Englewood Cliffs, New Jersey: Prentice-Hall).
78. GEORGES, A., KOTLIAR, G., KRAUTH, W., and ROZENBERG, M., 1996, Rev. mod. Phys., 68, 13.
79. GHONIEM, N. M., 1992, Non-Linear Phenomena in Material Science II, edited by L. Kubin and G. Martin (Dordrecht: Kluwer); 1999, J. Engng Mater. Technol., 121, 136.
80. GHONIEM, N. M., 1992, Non-Linear Phenomena in Material Science II, edited by L. Kubin and G. Martin (Dordrecht: Kluwer); 1999, J. Engng Mater. Technol., 121, 136.
81. GHONIEM, N. M., and AMODEO, R. J., 1988a, Solid St. Phenomena, 3-4, 377; 1988b, Int J. Engng Sci., 26, 653; 1990, Patterns, Defects and Material Instabilities, edited by D. Walgreaf and N. Ghoniem (Dordrecht: Kluwer), p. 303.
82. GHONIEM, N. M., and AMODEO, R. J., 1988a, Solid St. Phenomena, 3-4, 377; 1988b, Int J. Engng Sci., 26, 653; 1990, Patterns, Defects and Material Instabilities, edited by D. Walgreaf and N. Ghoniem (Dordrecht: Kluwer), p. 303.
83. GHONIEM, N. M., and AMODEO, R. J., 1988a, Solid St. Phenomena, 3-4, 377; 1988b, Int J. Engng Sci., 26, 653; 1990, Patterns, Defects and Material Instabilities, edited by D. Walgreaf and N. Ghoniem (Dordrecht: Kluwer), p. 303.
84. GHONIEM, N. M., HUANG, J., and WANG, Z., 2001, Phil. Mag. Lett., 82, 55.
85. GHONIEM, N. M., MATTHEWS, J. R., and AMODEO, R. J., 1990, Res Mech., 29, 197.
86. GHONIEM, N. M., and SUN, L. Z., 1999, Phys. Rev. B, 60, 128.
87. GHONIEM, N. M., TONG, S., HUANG, J., SINGH, B., and WEN, M., 2002, J. nucl. Mater., 307-311, 843.
88. GHONIEM, N. M., TONG, S.-H., and SUN, L. Z., 2000, Phys. Rev., 61, 913.
89. GHOSH, S., NOWAK, Z., and LEE, K., 2002, Acta mater., 45, 2215.
90. GILLAN, M. J., 1989, J. Phys.: condens. Matter, 1, 689.
91. GOEDECKER, S., 1999, Rev. of mod. Phys., 71, 1085.
92. GOLUBOV, S. I., LIU, X. L., HUANG, H. C., and WOO, C. H., 2001, Comput. Phys. Commun., 137, 312.
93. GREGOR, V., and KRATOCHVIL, J., 1990, Res. Mech., 29, 197.
94. GROMA, I., 1997, Phys. Rev. B, 56, 5807.
95. GROMA, I., and PAWLEY, G. S., 1993, Phil. Mag. A, 67, 1459.
96. GROSS, E. K. U., KREIBICH, T., LEIN, M., and PETERSILKA, M., 1998, Electron Correlations and Materials Properties, edited by N. K. A. Gonis and M. Ciftan (New York: Kluwer-Plenum), p. 393.
97. GULUOGLU, A. N., SROLOVITZ, D. J., LeSAR, R., and LOMDAHL, R. S., 1989, Scripta metall., 23, 1347.
98. GUMBSCH, P., and GAO, H., 1999, Science, 283, 965.
99. GUNNARSSON, O., and LUNDQVIST, B. I., 1976, Phys. Rev. B, 13, 4274.
100. GURTIN, M. E., 2000, J. Mech. Phys. Solids, 48, 989; 2003, Int. J. Plast., 19, 47.
101. GURTIN, M. E., 2000, J. Mech. Phys. Solids, 48, 989; 2003, Int. J. Plast., 19, 47.
102. HÄHNER, P., 1996, Appl. Phys. A, 62, 473.
103. HÄHNER, P., BAY, K., and ZAISER, M., 1998, Phys. Rev. Lett., 81, 2470.
104. HAMILTON, J. C., 1997, Phys. Rev. B, 55, R7402.
105. HAMILTON, J. C., STUMPF, R., BROMANN, K., GIOVANNINI, M., KERN, K., and BRUNE, H., 1999, Phys. Rev. Lett., 82, 4488.
106. HARRIS, J., and JONES, R. O., 1974, J. Phys. F, 4, 1170.
107. HARTLEY, C., 2003, Proceedings of the International Conference on Plasticity, Quebec City, Canada. Phil. Mag., this issue.
108. HEDIN, L., and LUNDQVIST, S., 1969, Solid St. Phys., 23, 1; 1971, J. Phys. C, 4, 2064.
109. HEDIN, L., and LUNDQVIST, S., 1969, Solid St. Phys., 23, 1; 1971, J. Phys. C, 4, 2064.
110. HEINISCH, H. L., 1995, Nucl. Instrum. Meth. B, 102, 47.
111. HERVE, E., and ZAOUI, A., 1993, Int. J. Engng Sci., 31, 1.
112. HILL, R., 1950, The Mathematical Theory of Plasticity, fourth edition (Oxford: Clarendon); 1965, J. Mech. Phys. Solids, 14, 89.
113. HILL, R., 1950, The Mathematical Theory of Plasticity, fourth edition (Oxford: Clarendon); 1965, J. Mech. Phys. Solids, 14, 89.
114. Hirth, J. P., Rhee, M., and Zbib, H., 1996, J. Comput.-Aided Mater. Des., 3, 164.
115. HOAGLAND, R. G., HIRTH, J. P., and GEHLEN, P. C., 1976, Phil. Mag. A, 34, 413.
116. HOHENBERG, P., and KOHN, W., 1964, Phys. Rev., 136, B864.
117. HOOVER, W. G., 1985, Phys. Rev. A, 31, 1695.
118. HUANG, H. C., GHONIEM, N. M., DIAZ DE LA RUBIA, T., RHEE, M., ZBIB, H., and HIRTH, J. P., 1999, J. Engng Mater. Technol., 121, 143.
119. HUANG, H. C., GHONIEM, N. M., WONG, J. K., and BASKES, M. I., 1995, Modelling Simulation Mater. Sci. Engng, 3, 615.
120. HUBER, N., and TSAKMAKIS, C., 1999, J. Mech. Phys. Solids, 47, 1589.
121. HUGHES, D., CHRZAN, D., LIU, Q., and HANSEN, N., 1998, Phys. Rev. Lett., 81, 4664.
122. ISMAIL-BEIGI, S., and ARIAS, T. A., 1999, Phys. Rev. Lett., 82, 2127.
123. JAMES, F., 1980, Rep. Prog. Phys., 43, 1145; 1990, Comput. Phys. Commun., 60, 329.
124. JAMES, F., 1980, Rep. Prog. Phys., 43, 1145; 1990, Comput. Phys. Commun., 60, 329.
125. JANOTTI, A., ZHANG, S. B., WEI, S.-H. and VAN DE WALLE, C. G., 2002, Phys. Rev. Lett., 89, 086 403.
126. JONES, R. O., and GUNNARSSON, O., 1989, Rev. mod. Phys., 61, 689.
127. JORDAN, E., and WALKER, K., 1992, J. Engng Mater. Technol., 114, 19.
128. JUSTO, J. F., DE KONING, M., CAI, W., and BULATOV, V. V., 2001, Mater. Sci. Engng, A309, 129.
129. KALIDINDI, S., BRONKHORST, C., and ANAND, L., 1992, J. Mech. Phys. Solids, 40, 537.
130. KENT, P., and ZUNGER, A., 2001, Phys. Rev. Lett., 86, 2613.
131. KHACHATURYAN, A. G., 2000, Proceedings of a Symposium, Science of Alloys for the 21st Century: A Hume-Rothey Symposium Celebration, edited by E. Turchi and A. G. A. Shull (Warrendale, Pennsylvania: Metallurgical Society of AIME), p. 293.
132. KIDO, T., MARUYAMA, T., NIITA, K., and CHIBA, S., 2000, Nucl. Phys. A, 663, 877c.
133. KOHN, W., and SHAM, L., 1965, Phys. Rev., 140, A1133.
134. KOSSEVICH, A. M., 1979, Dislocations in Solids, Vol. 1, edited by F. Nabarro (New York: North-Holland), p. 33; 1999, Crystal Lattice Phonons, Solitons, and Dislocations (New York: Wiley).
135. KOSSEVICH, A. M., 1979, Dislocations in Solids, Vol. 1, edited by F. Nabarro (New York: North-Holland), p. 33; 1999, Crystal Lattice Phonons, Solitons, and Dislocations (New York: Wiley).
136. KRATOCHVIL, J., and SAXLOV̀A, N., 1992, Scripta metall. mater., 26, 113.
137. KRÖNER, E., 1958a, Kontinuumstheorie der Versetzungen und Eigenspannungen (Berlin: Springer); 1958b, Erg. angew. Math., 5, 1; 1981, Physics of Defects, Les Houches Session XXXV (Amsterdam: North-Holland), p. 217.
138. KRÖNER, E., 1958a, Kontinuumstheorie der Versetzungen und Eigenspannungen (Berlin: Springer); 1958b, Erg. angew. Math., 5, 1; 1981, Physics of Defects, Les Houches Session XXXV (Amsterdam: North-Holland), p. 217.
139. KRÖNER, E., 1958a, Kontinuumstheorie der Versetzungen und Eigenspannungen (Berlin: Springer); 1958b, Erg. angew. Math., 5, 1; 1981, Physics of Defects, Les Houches Session XXXV (Amsterdam: North-Holland), p. 217.
140. KUBIN, L. P., 1993, Phys. Stat. sol (a), 135, 433.
141. KUBIN, L. P., and CANOVA, G., 1992, Scripta metall. mater., 27, 957.
142. KUBIN, L. P., CANOVA, G., CONDAT, M., DEVINCRE, B., PONTIKIS, V., and BRECHET, Y., 1992, Diffusion Defect Data - Solid St. Data, B, 23-24, 455.
143. KUBIN, L. P., and KRATOCHVIL, J., 2000, Phil. Mag. A, 80, 201.
144. KUKTA, R. V., and FREUND, L. B., 1998, Multiscale Modelling of Materials, edited by V. Bulatov, T. Diaz de la Rubia, R. Phillips, E. Kaxiras and N. Ghoniem (Boston, Massachusetts: Materials Research Society), p. 99.
145. KURAMOTO, E., OHSAWA, K., and TSUTSUMI, T., 2000, J. Comput.-Aided Mater. Des., 7, 89.
146. LABELLA, V. P., YANG, H., BULLOCK, D. W., THIBADO, P. M., KRATZER, P., and SCHEFFER, M., 1999, Phys. Rev. Lett., 83, 2989.
147. LANGRETH, D. C., and PERDEW, J. P., 1977, Phys. Rev. B, 15, 2884.
148. LEE, E. H., 1969, J. appl. Mech., 36, 1.
149. LEFFERS, T., 2001, Acta mater., 17, 469.
150. LENNARD-JONES, J. E., 1924, Proc. R. Soc. A, 106, 463.
151. LEPINOUX, J., and KUBIN, L. P., 1987, Scripta metall., 21, 833.
152. LESAR, R., and RICKMAN, J. M., 2002, Phys. Rev. B, 65, 144 110; 2003, Phil Mag., this issue.
153. LESAR, R., and RICKMAN, J. M., 2002, Phys. Rev. B, 65, 144 110; 2003, Phil Mag., this issue.
154. LESAR, R., NAJAFABADI, R., and SROLOVITZ, D. J., 1989, Phys. Rev. Lett., 63, 624.
155. LEWIS, J. P., ORDEJON, P., and SANKEY, O., 1997, Phys. Rev. B, 55, 6880.
156. LI, Q. K., and SHI, S. Q., 2002, Appl. Phys. Lett., 80, 3069.
157. LI, X. P., NUNES, R. W., and VANDERBILT, D., 1993, Phys. Rev. B, 47, 10 891.
158. LICHTENSTEIN, A. I., ZAANEN, J., and ANISIMOV, V. I., 1995, Phys. Rev. B, 52, R5467.
159. LIU, W. C., SHI, S. Q., HUANG, H. C., and Woo, C. H., 2002a, Comput. Mater. Sci., 23, 155.
160. LIU, W. C., SHI, S. Q., Woo, C. H., and HUANG, H. C., 2002b, Comput. Modelling Engng Sci., 3, 213.
161. LOUBET, J., GEORGES, J., and MEILLE, G., 1986, Microindentation Techniques in Materials Science and Engineering, ASTM Special Technical Publication 889, edited by P. Blau and B. Lawn (Philadelphia, Pennsylvania: American Society for Testing and Materials), p. 72.
162. LOUIE, S. G., 1996, Quantum Theory of Real Materials, edited by J. R. Chelikowsky and S. G. Louie (Boston, Massachusetts Kluwer), p. 83.
163. LU, G., BULATOV, V., and KIOUSSIS, N., 2002, Phys. Rev. B, 66, 144 103.
164. LU, G., and KIOUSSIS, N., 2001, Phys. Rev. B, 64, 024 101.
165. LU, G., KIOUSSIS, N., BULATOV, V., and KAXIRAS, E., 2000, Phys. Rev. B, 62, 3099.
166. LU, G., KIOUSSIS, N., WU, R., and CIFTAN, M., 1999, Phys. Rev. B, 59, 891.
167. LU, G., ZHANG, Q., KIOUSSIS, N., and KAXIRAS, E., 2001, Phys. Rev. Lett., 87, 095 501.
168. LUBARDA, V. A., BLUME, B. J. A., and NEEDLEMAN, A., 1993, Acta metall. mater., 41, 625.
169. MARZARI, N., and VANDERBILT, D., 1997, Phys. Rev. B, 56, 12 847.
170. MEHL, M., and PAPACONSTANTOPOULOS, D. A., 1996, Phys. Rev. B, 54, 4519.
171. MEISSONNIER, F., BUSSO, E., and O'DOWD, N., 2001, Int. J. Plast., 17, 601.
172. MERIC, L., and CAILLETAUD, G., 1991, J. Engng Mater. Technol., 113, 171.
173. MERIC, L., POUBANNE, P., and CAILLETAUD, G., 1991, J. Engng Mater. Technol., 162-170, 947.
174. METROPOLIS, N., ROSENBLUTH, A. W., ROSENBLUTH, M. N., TELLER, A. H., and TELLER, E., 1953, J. chem. Phys., 21, 1087.
175. MOLINARI, A., 2002, J. Engng Mater. and Technol., 124, 62.
176. MORIARTY, J. A., 1988, Phys. Rev. B, 38, 3199; 1994, ibid., 49, 12 431.
177. MORIARTY, J. A., 1988, Phys. Rev. B, 38, 3199; 1994, ibid., 49, 12 431.
178. MORIARTY, J. A., BELAK, J. F., RUDD, R. E., SÖDERLIND, P., STREITZ, F. H., and YANG, L. H., 2002, J. Phys.; condens. Matter, 14, 2825.
179. MORIARTY, J. A., and WIDOM, M., 1997, Phys. Rev. B, 56, 7905.
180. MORSE, P. M., 1929, Phys. Rev., 34, 57.
181. MOULIN, A., CONDAT, M., and KUBIN, L. P., 1997, Acta mater., 45, 2339.
182. MUGHRABI, H., 1981, Proceedings of the Fourth International Conference on Continuum Models of Discrete Systems, edited by O. Brulin and R. K. T. Hsi (Amsterdam: North Holland); 1983, Acta metall., 31, 1367; 1987, Mater. Sci. Engng, 85, 15.
183. MUGHRABI, H., 1981, Proceedings of the Fourth International Conference on Continuum Models of Discrete Systems, edited by O. Brulin and R. K. T. Hsi (Amsterdam: North Holland); 1983, Acta metall., 31, 1367; 1987, Mater. Sci. Engng, 85, 15.
184. MUGHRABI, H., 1981, Proceedings of the Fourth International Conference on Continuum Models of Discrete Systems, edited by O. Brulin and R. K. T. Hsi (Amsterdam: North Holland); 1983, Acta metall., 31, 1367; 1987, Mater. Sci. Engng, 85, 15.
185. MÜHLHAUS, H. B., 1989, Int. Arch., 59, 124.
186. MURA, T., 1968, The Continuum Theory of Dislocations, Advances in Materials Research 3 (New York: Interscience); 1982, Micromechanics of Defects in Solids (Dordrecht: Martinus Nijhoff).
187. MURA, T., 1968, The Continuum Theory of Dislocations, Advances in Materials Research 3 (New York: Interscience); 1982, Micromechanics of Defects in Solids (Dordrecht: Martinus Nijhoff).
188. NAN, C.-W., and CLARKE, D., 1996, Acta mater., 44, 3801.
189. NEUHÄUSER, H., 1983, Dislocations in Solids, Vol. 6, edited by F. Nabarro (Amsterdam: North-Holland).
190. NEUMANN, P., 1971, Acta metall., 19, 1233.
191. NIKOLAEV, P., THESS, A., RINZLER, A. G., COLBERT, D. T., and SMALLEY, R., 1997, Chem. Phys. Lett., 266, 422.
192. NOSE, S., 1984, Mol. Phys., 52, 255.
193. NOUAILHAS, D., and FREED, A., 1992, J. Engng Mater. Techol., 114, 97.
194. NUNES, R. W., BENNETTO, J., and VANDERBILT, D., 1996, Phys. Rev. Lett., 77, 1516.
195. OHSAWA, K., and KURAMOTO, E., 1999, J. appl. phys., 86, 179.
196. ORDEJON, P., DRABOLD, D. A., GRUMBACH, M. P., and MARTIN, R. M., 1993, Phys. Rev. B, 48, 14 646.
197. ORTIZ, M., and PHILLIPS, R., 1999, Adv. appl. Mech., 36, 1.
198. OSETSKY, Y. N., BACON, D., SERRA, A., SINGH, B., and GOLUBOV, S., 2000, J. nucl. Mater., 276, 65.
199. PAPANIKOLAOU, N., ZELLER, R., and DEDERICHS, P., 2002, J. Phys.: condens. Matter, 14, 2799.
200. PARR, R. G., and YANG, W., 1989, Density Functional Theory of Atoms and Molecules (Oxford University Press).
201. PARRINELLO, M., and RAHMAN, A., 1981, J. appl. Phys., 52, 7182.
202. PASIANOT, R., FARKAS, D., and SAVINO, E. J., 1991, Phys. Rev. B, 43, 6952.
203. PAYNE, M. C., TETER, M. P., ALLAN, D. C., ARIAS, T. A., and JOANNOPOULOS, J. D., 1992, Rev. mod. Phys., 64, 1045.
204. PEACH, M. O., and KOEHLER, J. S., 1950, Phys. Rev., 80, 436.
205. PERDEW, J. P., 1991, Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Berlin: Akademic), p. 11; 1999, Electron Correlations and Materials Properties, edited by A. Gonis, N. Kioussis and M. Ciftan (New York: Kluwer and Plenum), p. 287.
206. PERDEW, J. P., 1991, Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Berlin: Akademic), p. 11; 1999, Electron Correlations and Materials Properties, edited by A. Gonis, N. Kioussis and M. Ciftan (New York: Kluwer and Plenum), p. 287.
207. PERDEW, J. P., BURKE, K., and WANG, Y., 1996, Phys. Rev. B, 54, 16 533.
208. PERDEW, J. P., and ZUNGER, A., 1981, Phys. Rev. B, 23, 5048.
209. PETTIFOR, D. G., 1989, Phys. Rev. Lett., 63, 2480.
210. PETTIFOR, D. G., and OLEINIK, I., 1999, Phys. Rev. B, 59, 8487; 2000, Phys. Rev. Lett., 84, 4124.
211. PETTIFOR, D. G., and OLEINIK, I., 1999, Phys. Rev. B, 59, 8487; 2000, Phys. Rev. Lett., 84, 4124.
212. PIERCE, D., ASARO, R. J., and NEEDLEMAN, A., 1983, Acta metall., 31, 31 951.
213. PITAKTHAPANAPHONG, S., and BUSSO, E., 2002, J. Mech. Phys. Solids, 50, 695.
214. PONTE CASTANEDA, P., 1991, J. Mech. Phys. Solids, 39, 45.
215. PRICE, D., and COOPER, B., 1989, Phys. Rev. B, 39, 4945.
216. PRICE, D., WILLS, J., and COOPER, B., 1992, Phys. Rev. B, 46, 11 368.
217. RAO, S., HERNANDEZ, C., SIMMONS, J. P., PARTHASARATHY, T. A., and WOODWARD, C., 1998, Phil. Mag. A, 77, 231.
218. RAO, S. I., and WOODWARD, C., 2001, Phil. Mag. A, 81, 1317.
219. RAPPE, A. M., JOANNOPOULOS, J. D., and BASH, P. A., 1992, J. Am. chem. Soc., 114, 6466.
220. REGINO, M., BUSSO, E., O'DOWD, N., and ALLEN, D., 2002, Materials for Advanced Power Engineering, Part I, edited by J. Lecomte-Beckers, M. Carton, F. Schubert and P. J. Ennis (Forschungszentrum Julich), p. 283.
221. RHEE, M., ZBIB, H. M., HIRTH, J. P., HUANG, H., and DE LA RUBIA, T., 1998, Modelling Simulation Mater. Sci. Engng, 6, 467.
222. RICKMAN, J., LESAR, R., and SROLOVITZ, D., 2003, Acta mater., 51, 1199.
223. RODNEY, D., and MARTIN, G., 2000, Phys. Rev. B, 61, 8714.
224. RODNEY, D., and PHILLIPS, R., 1999, Phys. Rev. Lett., 82, 1704.
225. RUBERTO, C., YOURDSHAHYAN, Y., and LUNDQVIST, B. I., 2002, Phys. Rev. Lett., 88, 226 101.
226. SAITO, T., FURUTA, T., HWANG, J., KURAMOTO, S., NISHINO, K., SUZUKI, N., CHEN, R., YAMADA, A., ITO, K., SEND, Y., NONAKA, N., IKEHATA, H., NAGASAKO, N., IMAMOTO, C., IKUHARA, Y., and SAKUMA, T., 2003, Science, 300, 464.
227. SAXLOV̀A, N., KRATOCHVIL, J., and ZATLOUKAL, J., 1997, Mater. Sci. Engng, A234, 205.
228. SCHONFELDER, B., KEBLINSKI, P., WOLF, D., and PHILLPOT, S. R., 1999, Mater. Sci. Forum, 294, 9.
229. SCHONFELDER, B., WOLF, D., PHILLPOT, S. R., and FURTKAMP, M., 1997, Interface Sci., 5, 245.
230. SCHUBERT, F., FLEURY, G., and STEINHAUS, T., 2000, Modelling Simulation Sci. Engng, 8, 947.
231. SCHWARZ, K. V., and TERSOFF, J., 1996, Appl. Phys. Lett., 69, 1220.
232. SCHWARZ, K. W., 1997, Phy. Rev. Lett., 78, 4785.
233. SCHWARZ, K. W., and LeGOUES, F. K., 1997, Phys. Rev. Lett., 78, 1877.
234. SCUDDER, H., LU, G., and KIOUSSIS, N., 2003, Phys. Rev. B (to be published).
235. SEGMUELLER, A., and MURAKAMI, M., 1988, Treatise Mater. Sci. Engng, 27, 143.
236. SHI, S. Q., HUANG, H. C., and WOO, C. H., 2002, Comput. Mater. Sci., 23, 95.
237. SHIM, Y., LEVINE, L., and THOMSON, R., 2001, Mater. Sci. Engng, A309-A310, 340.
238. SHU, J., FLECK, N., VAN DER GIESSEN, E., and NEEDLEMAN, A., 2001, J. Mech. Phys. Solids, 49, 1361.
239. SHU, J., KING, W. E., and FLECK, N. A., 1999, Int. J. Numer. Meth. Engng, 44, 373.
240. SINCLAIR, J. E., 1971, J. appl. Phys., 42, 5321.
241. SMALL, M., DANIELS, B., CLEMENS, B., and NIX, W., 1994, J. Mater. Res., 9, 25.
242. STAINER, L., CUTINO, A., and ORTIZ, M., 2002, J. Mech. Phys. Solids, 50, 1511.
243. STAUFFER, D., and AHARONY, A., 1992, Introduction to Percolation Theory (London: Taylor & Francis).
244. STILLINGER, F. H., and WEBER, T. A., 1985, Phys. Rev., B, 31, 5262.
245. SVANE, A., and GUNNARSSON, O., 1990, Phys. Rev. Lett., 65, 1148.
246. SWADENER, J., MISRA, A., HOAGLAND, R., and NASTASI, M., 2002, Scripta metall., 47, 343.
247. TERSOFF, J., 1986, Phys. Rev. Lett., 56, 632.
248. THOMSON, R., and LEVINE, L., 1998, Phys. Rev. Lett., 81, 3884.
249. THOMSON, R., LEVINE, L. E., SHIM, Y., and SAVAGE, M. F., 2002, Comput. Modelling Engng Sci., 3, 245.
250. VAN HOUTTE, P., DELANNAY, L., and SAMAJDAR, I., 1999, Textures Microstruct., 31, 109.
251. VAN KAMPEN, N., 1992, Stochastic Processes in Physics and Chemistry (Amsterdam: North-Holland).
252. VAN SWYGENHOVEN, H., 2002, Science, 296, 66.
253. VAN SWYGENHOVEN, H., CARO, A., and FARKAS, D., 2001, Mater. Sci. Engng, 309, 440.
254. VITEK, V., 1974, Crystal Lattice Defects, 5, 1.
255. VOLTERRA, V., 1907, Annal. Sci. École Norm. Super., Paris, 24, 401.
256. VON BARTH, U., and HEDIN, L., 1972, J. Phys. C, 5, 1629.
257. VOSKO, S. H., WILK, L., and NUSAIR, M., 1980, Can. J. Phys., 58, 1200.
258. WALGRAEF, D., and AIFANTIS, C., 1985, Int. J. Engng Sci., 23, 1351.
259. WANG, G. F., STRACHAN, A., CAGIN, T., and GODDARD, W. A., 2001a, Mater. Sci. Engng, A309, 133.
260. WANG, H. Y., and LESAR, R., 1995, Phil. Mag. A, 71, 149.
261. WANG, J., WOO, C. H., and HUANG, H. C., 2001b, Appl. Phys. Lett., 79, 101.
262. WANG, L.-W., KIM, J., and ZUNGER, A., 1999, Phys. Rev. B, 59, 5678.
263. WANG, Y., JIN, Y. M., CUITINO, A. M., and KHACHATURYAN, A. G., 2000, Proceedings of the International Conference on Dislocations 2000 (Gaithersburg, Maryland: National Institute of Standards and Technology), p. 107; 2001c, Acta mater., 49, 1847.
264. WANG, Y., JIN, Y. M., CUITINO, A. M., and KHACHATURYAN, A. G., 2000, Proceedings of the International Conference on Dislocations 2000 (Gaithersburg, Maryland: National Institute of Standards and Technology), p. 107; 2001c, Acta mater., 49, 1847.
265. WANG, Z., GHONIEM, N., LESAR, R., and SRIRAM, S., 2003a, Modelling Simulation Mater. Sci. Engng (submitted).
266. WANG, Z., LESAR, R., and GHONIEM, N., 2003b (to be published).
267. WIMMER, E., KRAKAUER, H., WEINERT, M., and FREEMAN, A., 1981, Phys. Rev. B, 24, 864.
268. WOO, C. H., HUANG, H. C., and ZHU, W. J., 2002, Appl Phys. A, 76, 101.
269. WOO, C. H., and PULS, M. P., 1976, J. Phys. C, 9, 121.
270. WOODWARD, C., and RAO, S. I., 2002, Phys. Rev. Lett., 88, 216 402.
271. WU, R., FREEMAN, A., and OLSON, G., 1994, Science, 265, 376.
272. WU, T., LEE, C.-K., and WANG, R., 1993, Mater. Res. Soc. Symp. Proc., 308, 133.
273. XU, W., and MORIARTY, J. A., 1996, Phys. Rev. B, 54, 6941; 1998, Comput. Mater. Sci., 9, 348.
274. XU, W., and MORIARTY, J. A., 1996, Phys. Rev. B, 54, 6941; 1998, Comput. Mater. Sci., 9, 348.
275. YANG, W., 1991, Phys. Rev. Lett., 66, 1438.
276. YILDIRIM, T., GÜLSEREN, O., and CIRACI, S., 2001, Phys. Rev., B, 64, 075 404.
277. ZAISER, M., 2001, Mater. Science Engng, A309-A310, 304.
278. ZAISER, M., AVLONITIS, M., and AIFANTIS, E. C., 1998, Acta mater., 46, 4143.
279. ZAISER, M., and HÄHNER, P., 1997, Phys. Stat. sol. (b), 199, 267.
280. ZBIB, H., and AIFANTIS, E., 1988, Res. Mech., 23, 261.
281. ZBIB, R. M., RHEE, M., and HIRTH, J. P., 1998, Int. J. Mech. Sci., 40, 113.
282. ZHANG, W. Q., XIE, Q., GE, X. J., and CHEN, N. X., 1997, J. appl. Phys., 82, 578.
283. ZHOU, S. J., PRESTON, D. L., LOMDAHL, P. S., and BEAZLEY, D. M., 1998, Science, 279, 1525.
284. ZIENKIEWICZ, O. C., and TAYLOR, R. L., 1994, The Finite Element Method, fourth edition (New York: McGraw-Hill).