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About interatomic potentials

Submitted by Cao Ma on

Hi all,

I am starting to my phd project focusing on developing new interatomic potentials.

Would you please help introduce some of current research trends(such as review paper, existed potentials etc) on this field.

Thanks.

Hi Cao Ma,

 There are many popular interatomic potentials, please see the following links:

EAM :  Daw, Murray S.; Mike Baskes. "Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals". Physical Review B (American Physical Society) 29 (12): 6443–6453. 

Bond-order potentials : Pettifor, D. G.; I. I. Oleinik (1999). "Analytic bond-order potentials beyond TersofF Brenner. I. Theory". Phys. Rev. B 59: 8487. doi:10.1103/PhysRevB.59.8487

Multibody expansions : The authors developed perfectly transferrable many body potentials in the following paper

http://prb.aps.org/abstract/PRB/v77/i6/e064101

Tue, 02/23/2010 - 05:06 Permalink