The modified embedded-atom method interatomic potentials and recent progress in atomistic simulations
β Scribed by Byeong-Joo Lee; Won-Seok Ko; Hyun-Kyu Kim; Eun-Ha Kim
- Book ID
- 115511184
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 816 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0364-5916
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Modified embedded-atom method (MEAM) interatomic potentials for pure Mn and the Fe-Mn binary system have been developed using a previously developed MEAM potential for Fe. The potentials can describe various fundamental physical properties of pure Mn (cohesive energy, structural energy differences,
A modified embedded-atom method (MEAM) interatomic potential for the Fe-H binary system has been developed using previously developed MEAM potentials of Fe and H. The potential parameters were determined by fitting to experimental data on the dilute heat of solution of hydrogen in body-centered cubi