Many-body effects in bcc metals: An embedded atom model extension of the modified Johnson pair potential for iron

2008 ◽  
Vol 77 (17) ◽  
Author(s):  
James R. Morris ◽  
Rachel S. Aga ◽  
Valentin Levashov ◽  
Takeshi Egami
Keyword(s):  
Pair Potential ◽  
Many Body ◽  
Bcc Metals ◽  
Atom Model ◽  
Embedded Atom ◽  
Model Extension ◽  
Many Body Effects

End Processing of MAEAM Pair Potential for BCC Metals

2012 ◽  
Vol 424-425 ◽  
pp. 568-572
Author(s):  
Hak Son Jin ◽  
An Du
Keyword(s):  
Phonon Dispersion ◽  
Pair Potential ◽  
Embedded Atom Method ◽  
Model Calculations ◽  
Phonon Dispersion Curves ◽  
Bcc Metals ◽  
Embedded Atom ◽  
Body Potential ◽  
Multi Body ◽  
Potential Parameters

An end processing function of the pair-potential of modified analytical embedded atom method (MAEAM) was suggested for bcc metals. Through fitting the elastic constants, cohesive energy and an equilibrium condition of bcc metal crystals correctly, we changed the pair-potential parameters and the modification term parameter of the multi-body potential. The model calculations fully demonstrate the structure stabilities and the phonon dispersion curves of seven bcc transition metals: Cr, Fe, Mo, Nb, Ta, V and W.

Derivation of Many-Body Potentials for Examining Defect Behavior in Bcc Niobium

1988 ◽  
Vol 141 ◽  
Author(s):  
James M. Eridon ◽  
Satish Rao
Keyword(s):  
Elastic Constants ◽  
Defect Formation ◽  
Phonon Dispersion ◽  
Pair Potential ◽  
Difficult Problem ◽  
Many Body ◽  
Lattice Constants ◽  
Embedded Atom ◽  
Straightforward Method ◽  
Formation Energies

AbstractMany-body potentials, in either the Embedded Atom or Finnis-Sinclair form, have gained wide popularity recently. The major difficulty in implementing the method concerns the derivation of suitable forms for the pair potential, electron density, and embedding, function which reproduce a range of empirically observable parameters such as elastic constants, defect formation energies, and defect Green's functions. This is a particularly difficult problem for niobium, which shows a variety of anomalous features in its phonon dispersion. Embedding functions which match only elastic constants may do a poor job of reproducing short wavelength behavior, and hence provide poor defect modeling. A straightforward method of deriving embedding functions for homonuclear BCC andFCC metals will be presented which provides excellent agreement with experimental phonon dispersion curves and elastic constants, as well as Griineisen coefficients, vacancy formation energies, lattice constants and heats of sublimation. The results of the application of a set of many-body potentials derived in this fashion to nitrogen irradiated niobium will be presented.

Does the embedded atom model have predictive power?

2020 ◽  
Vol 190 (12) ◽  
pp. 1233-1260
Author(s):  
David K. Belashchenko
Keyword(s):  
Predictive Power ◽  
Atom Model ◽  
Embedded Atom

Gain characteristics of GaN quantum wells including many body effects

1995 ◽  
Vol 31 (14) ◽  
pp. 1149 ◽  
Author(s):  
P. Rees ◽  
C. Cooper ◽  
P. Blood ◽  
P.M. Smowton ◽  
J. Hegarty
Keyword(s):  
Quantum Wells ◽  
Many Body ◽  
Many Body Effects
Sign in / Sign up

Export Citation Format

Share Document