Interfacial studies using the EAM and MEAM
Journal Article
·
· Interface Science
OSTI ID:460053
- Seagate Technology, Bloomington, MN (United States)
- Sandia National Lab., Livermore, CA (United States)
A brief review of our current applications of the Embedded Atom Method (EAM) and Modified Embedded Atom Method (MEAM) is given in this paper as they relate to the structure of interfaces in materials. The EAM is used to consider the effect of hydrogen on the structure and properties of boundaries in nickel and nickel aluminide (Ni{sub 3}Al). In both cases hydrogen segregates to the boundary causing a reduction in the cohesive strength. Next, the EAM is applied to describe the equilibrium and dynamic structure of a dissociated {Sigma}3(112) boundary in copper. Comparison is made to recent experimental observations which show good agreement with the modeled behavior. Finally, the MEAM is used to help understand the properties of both the nickel/silicon and aluminum/sapphire systems. 60 refs., 13 figs., 3 tabs.
- Research Organization:
- Sandia National Laboratory
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 460053
- Journal Information:
- Interface Science, Journal Name: Interface Science Journal Issue: 1-2 Vol. 4; ISSN 0927-7056; ISSN INSCE9
- Country of Publication:
- United States
- Language:
- English
Similar Records
Modified embedded atom method calculations of interfaces
Modeling the segregation of hydrogen to lattice defects in nickel
Density-functional calculations for grain boundaries in aluminum
Conference
·
Wed May 01 00:00:00 EDT 1996
·
OSTI ID:224267
Modeling the segregation of hydrogen to lattice defects in nickel
Conference
·
Mon May 01 00:00:00 EDT 1995
·
OSTI ID:87070
Density-functional calculations for grain boundaries in aluminum
Journal Article
·
Mon Nov 14 23:00:00 EST 1994
· Physical Review, B: Condensed Matter; (United States)
·
OSTI ID:7184169