Atomistic simulation of the vacancy in W(0 0 1) surface

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Volumn 304, Issue 1-3, 2007, Pages 67-71

  Wen, Yan Ni ^a   Zhang, Jian Min ^a   Xu, Ke Wei ^b  

^a SHAANXI NORMAL UNIVERSITY   (China)

^b XI'AN JIAOTONG UNIVERSITY   (China)

Author keywords

MAEAM; Migration; Tungsten; Vacancy

Indexed keywords

ACTIVATION ENERGY; ATOMIC LAYER EPITAXY; ATOMS; COMPUTER SIMULATION; DIFFUSION; TUNGSTEN;

ATOMISTIC SIMULATION; INTER-LAYER MIGRATION; MODIFIED ANALYTICAL EMBEDDED-ATOM METHOD; SINGLE VACANCY;

VACANCIES;

TUNGSTEN;

ARTICLE; ATOM; ENERGY TRANSFER; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; SURFACE PROPERTY;

EID: 34347361436     PISSN: 09277757     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.colsurfa.2007.04.023     Document Type: Article

References (30)

1. Ratsch C., Zangwill A., Smilauer P., and Vedensky D.D. Saturation and scaling of epitaxial island densities. Phys. Rev. Lett. 72 (1994) 3194
2. Mrowec S., and Grzesik Z. Oxidation of nickel and transport properties of nickel oxide. J. Phys. Chem. Solids 65 (2004) 1651
3. de la Figuera J., Carter C.B., Bartelt N.C., and Hwang R.Q. Interplay between gas adsorption and dislocation structure on a metal surface. Surf. Sci. 531 (2003) 29
4. Rost M.J., van Albada S.B., and Frenken J.W.M. Shape and evolution of vacancy islands on a missing row reconstructed surface:Au(1 1 0). Surf. Sci. 518 (2002) 21
5. Kraftmakher Y. Equilibrium vacancies and thermophysical properties of metals. Phys. Report 299 (1998) 79
6. Tumball D., Rosenbaum H.S., and Teatfis H.N. Kinetics of clustering in some aluminum alloys. Acta Metall. 8 (1960) 277
7. Wollenberger H.J. In: Cahn R.W., and Haasen A.A. (Eds). Physical Metallurgy. 4th ed. (1996), North-Holland, Amsterdam 1633
8. van Gastel R., Somfai E., van Albada S.B., van Saarloos W., and Frenken J.W. Vacancy diffusion in the Cu(0 0 1) surface I: an STM study. Surf. Sci. 521 (2002) 10
9. Zhang B.W., and Ouyang Y.F. Theoretical calculation of thermodynamic data for bcc binary alloys with the embedded-atom method. Phys. Rev. B 48 (1993) 3022
10. Hu W.Y., Zhang B.W., Shu X.L., and Huang B.Y. Calculation of formation enthalpies and phase stability for Ru-Al alloys using an analytic embedded atom model. J. Alloys Compd. 287 (1999) 159
11. Johnson R.A. Analytic nearest-neighbor model for fcc metals. Phys. Rev. B 37 (1988) 3924
12. Zhang J.M., Song X.L., Zhang X.J., and Xu K.W. The properties and structures of the mono- and di-vacancy in Cu crystal. J. Phys. Chem. Solids 67 (2006) 714
13. Zhang J.M., Wei X.M., and Xin H. Calculating the energies for Ag (0 0 1) twist boundaries utilizing the modified analytical embedded atom method. Surf. Interface Anal. 36 (2004) 1500
14. Zhang J.M., Wei X.M., and Xin H. Energy analysis for (1 1 1) twist grain boundary in noble metals. Appl. Surf. Sci. 243 (2005) 1
15. Zhang J.M., Huang Y.H., Wu X.J., and Xu K.W. Energy calculation for symmetrical tilt grain boundaries in iron. Appl. Surf. Sci. 252 (2006) 4936
16. Ma F., Zhang J.M., and Xu K.W. Theoretical analysis of interface energy for unrelaxed Ag (0 0 1)/Ni (0 0 1) twist interface boundaries with MAEAM. Surf. Interface Anal. 36 (2004) 355
17. Zhang J.M., Shu Y., and Xu K.W. Analysis of energy and force of Pt adatom on Pt (0 0 1) surface by MAEAM. Appl. Surf. Sci. 252 (2006) 5207
18. Zhang X.J., Zhang J.M., and Xu K.W. Calculation of phonon spectrum for noble metals by modified analytic embedded atom method (MAEAM). Chin. Phys. 15 (2006) 2108
19. Zhang B.W., Ouyang Y.F., Liao S.Z., and Jin Z.P. An analytic MEAM model for all bcc transition metals. Physica B 262 (1999) 218
20. 3Al with a modified analytic EAM model. J. Mater. Sci. Technol. 17 (2001) 601
21. Rose J.H., Smith J.R., Guinea F., and Ferante J. Universal features of the equation of state of metals. Phys. Rev. B 29 (1984) 2963
22. Barrett C.S., and Massalski T.B. Structure of Metals. 3rd ed. (1980), Pergamon Press, New York
23. Kittle C. Introduction to Solid Physics. 5th ed. (1976), John Wiley and Sons, Chichester
24. Zigler R., and Schaefer H.E. Vacancies and Interstitials in Metals and Alloys (1987), Trans Tech, Switzerland
25. Maier K., Peo M., Saile B., Schaefer H.E., and Seeger A. High-temperature positron annihilation and vacancy formation in refractory metals. Phil. Magn. A 40 (1979) 701
26. Brandes E.A. Smithells Metals Reference Book. 6th ed. (1983), Butterworths, London
27. Chen E.T., Barnett R.N., and Uzi Landman. Surface melting of Ni (1 1 0). Phys. Rev. B 41 (1990) 439
28. Gullil A.M., and Adams J.B. The application of the analytic embedded atom method to bcc metals and alloys. J. Mater. Res. 7 (1992) 639
29. Dedachi K.I., Nassume T., Nakatsu T., Tanaka S., Ishikawa Y., and Kurita N. Charge transfer through single- and double-strand DNAs: simulations based on molecular dynamics and molecular orbital methods. Chem. Phys. Lett. 436 (2007) 244
30. Janke C., Jones R., Coutinho J., Öberg S., and Briddon P.R. Supercell and cluster density functional calculations of the thermal stability of the divacancy in germanium. Mater. Sci. Semicond. Process. 9 (2006) 484