These are Embedded Atom Method (EAM) like potentials developed for CHSSI project CCM6. These parameters are designed for use with the Simulator of Lattice Defects (SOLD) code, but can be used by other EAM codes.
In addition to the parameters, we include links to the journal article in which the parameters originally appeared. Clicking on the title of the article will bring it up in PDF format. Clicking on the Journal information will bring up the abstract from that Journal's web site. Clicking on ``BibTeX'' will bring up bibliographic information.
Consult the SOLD Manual for information on how to use these parameters.
| Element(s) | Atomic Density Function | Embedding Energy | Pair Interaction Energy | Publication | Reference | BibTeX |
|---|---|---|---|---|---|---|
| Aluminum | al.den | al.embed | al.pair | Interatomic potentials for monoatomic metals from experimental data and ab initio calculations | Phys. Rev. B 59, 3393 (1999) | BibTeX |
| Nickel | ni.den | ni.embed | ni.pair | |||
| Copper | cu.den | cu.embed | cu.pair | Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom methods | Phys. Rev. B 63, 224106 (2001) | BibTeX |
Note that the atomic parameters used here are not the same as the parameters used in the pure elements, above, and only make sense in the context of these compounds.
| Nickel-Aluminum | ||||||
| Element(s) | Atomic Density Function | Embedding Energy | Intraatomic Pair Energy | Interaction Pair Energy | Reference | BibTeX |
|---|---|---|---|---|---|---|
| Aluminum | fal.plt | F_al.plt | pal.plt | pnial.plt | Phys. Rev. B 65, 224114 (2002) | BibTeX |
| Nickel | fni.plt | F_ni.plt | pni.plt | |||
| Titanium-Aluminum | ||||||
| Element(s) | Atomic Density Function | Embedding Energy | Intraatomic Pair Energy | Interaction Pair Energy | Reference | BibTeX |
|---|---|---|---|---|---|---|
| Aluminum | fal.plt | F_al.plt | pal.plt | ptial.plt | Phys. Rev. B 68, 024102 (2003) | BibTeX |
| Titanium | fti.plt | F_ti.plt | pti.plt | |||
| Iron-Nickel | ||||||
| Element(s) | Atomic Density Function | Embedding Energy | Intra-atomic Pair Energy | Interaction Pair Energy | Reference | BibTeX |
|---|---|---|---|---|---|---|
| Iron | fFe.plt | F_Fe.plt | pFe.plt | pFeNi.plt | Acta Mat. 53, 4029-4041 (2005) | BibTeX |
| Nickel | fNi.plt | F_Ni.plt | pNi.plt | |||
| Dipole Interactions | Quadrupole Interactions | |||||
| Fe-Fe | Ni-Ni | Fe-Ni | Fe-Fe | Ni-Ni | Fe-Ni | |
| qFe.plt | qNi.plt | qFeNI.plt | qFe.plt | qNi.plt | qFeNI.plt | |
| Page Created: 10 May 2002 | Last Update: 2 September 2005 | URL: http:// |
| Contact: mehl@dave.nrl.navy.mil | This page was produced at the Center for Computational Materials Science of the Naval Research Laboratory. |
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