PL EN


Preferencje help
Widoczny [Schowaj] Abstrakt
Liczba wyników
Czasopismo
2010 | 8 | 5 | 804-810
Tytuł artykułu

New parameters of many-body potentials: studying the thermal and mechanical properties of noble metals

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
New parameters of nearest-neighbor EAM (1N-EAM), n-th neighbor EAM (NN-EAM), and the second-moment approximation to the tight-binding (TB-SMA) potentials are obtained by fitting experimental data at different temperatures. In comparison with the available many-body potentials, our results suggest that the 1N-EAM potential with the new parameters is the best description of atomic interactions in studying the thermal expansion of noble metals. For mechanical properties, it is suggested that the elastic constants should be calculated in the experimental zero-stress states for all three potentials. Furthermore, for NNEAM and TB-SMA potentials, the calculated results approach the experimental data as the range of the atomic interaction increases from the first-neighbor to the sixth-neighbor distance.
Wydawca

Czasopismo
Rocznik
Tom
8
Numer
5
Strony
804-810
Opis fizyczny
Daty
wydano
2010-10-01
online
2010-07-22
Bibliografia
  • [1] A. P. Sutton and Chen, Phil. Mag. Lett. 61, 139 (1990) http://dx.doi.org/10.1080/09500839008206493[Crossref]
  • [2] T. Çağın et al., Mater. Res. Soc. Symp. P. 554, 43 (1999)
  • [3] F. Cleri, V. Rosato, Phys. Rev. B 48, 22 (1993) http://dx.doi.org/10.1103/PhysRevB.48.22[Crossref]
  • [4] M. S. Daw, M. I. Baskes, Phys. Rev. B 29, 6443 (1984) http://dx.doi.org/10.1103/PhysRevB.29.6443[Crossref]
  • [5] T. Çağın, G. Dereli, M. Uludoğgan, M. Tomak, Phys. Rev. B 59, 3468 (1999) http://dx.doi.org/10.1103/PhysRevB.59.3468[Crossref]
  • [6] H. H. Kart, M. Tomak, T. Çağın, Model. Simul. Mater. Sc. 13, 657 (2005) http://dx.doi.org/10.1088/0965-0393/13/5/002[Crossref]
  • [7] E. Ahmed, J. I. Akhter, M. Ahmad, Comp. Mater. Sci. 31, 309 (2004)
  • [8] G. Simmons, H. Wang, Single Crystal Elastic constants and Calculated Aggregate Properties: A HANDBOOK, 2nd edition (MIT Press, Cambridge, MA, USA, 1971)
  • [9] R. A. Johnson, Phys. Rev. B 37, 3924 (1988) http://dx.doi.org/10.1103/PhysRevB.37.3924[Crossref]
  • [10] R. A. Johnson, Phys. Rev. B 39, 12544 (1989)
  • [11] R. A. Johnson, Phys. Rev. B 41, 9717 (1990) http://dx.doi.org/10.1103/PhysRevB.41.9717[Crossref]
  • [12] J. Cai, Y. Y. Ye, Phys. Rev. B 54, 8398 (1996) http://dx.doi.org/10.1103/PhysRevB.54.8398[Crossref]
  • [13] B.-J. Lee, J.-H. Shim, M. I. Baskes, Phys. Rev. B 68, 144112 (2003) http://dx.doi.org/10.1103/PhysRevB.68.144112[Crossref]
  • [14] M. Parrinello, A. Rahman, Phys. Rev. Lett. 45, 1196 (1980) http://dx.doi.org/10.1103/PhysRevLett.45.1196[Crossref]
  • [15] S. Nosé, J. Chem. Phys. 81, 511 (1984) http://dx.doi.org/10.1063/1.447334[Crossref]
  • [16] J. R. Ray, Comput. Phys. Rep. 8, 109 (1988) http://dx.doi.org/10.1016/0167-7977(88)90009-3[Crossref]
Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11534-009-0153-2
JavaScript jest wyłączony w Twojej przeglądarce internetowej. Włącz go, a następnie odśwież stronę, aby móc w pełni z niej korzystać.