Modified analytic EAM potentials for the binary immiscible alloy systems

Fang, F.; Shu, Xiaolin; Deng, Hui; Hu, Wangyu; Zhu, M.

doi:10.1016/s0921-5093(03)00102-3

Cited by 40 publications

(18 citation statements)

References 8 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The reason for introducing the factors 1 2 a α into (10) is to maintain l jα as integers and subject to the condition that the sum l j1 +l j2 +l j3 is even. The embedding function F (ρ i ), pair potential φ(r j ), modified term M (P i ) and atomic electron density f (r j ) take the following forms [19,20]:…”

Section: Maeammentioning

confidence: 99%

“…In this paper, the cut-off distances of pair potential φ(r j ) and atomic electron density f (r j ) are selected as r ce = r 5e + k ce (r 6e − r 5e ) and r c = r 6e + 0.75(r 7e − r 6e ), respectively, where k ce is the model parameter and r 5e , r 6e and r 7e are the fifth, sixth and seventh neighbour distance at equilibrium, respectively. F 0 and f e can be calculated from [20] …”

Section: Maeammentioning

confidence: 99%

See 1 more Smart Citation

Structural stability and theoretical strength of Cu crystal under equal biaxial loading

et al. 2010

View full text Add to dashboard Cite

Cu has been used extensively to replace Al as interconnects in ULSI and MEMS devices. However, because of the difference in the thermal expansion coefficients between the Cu film and the Si substrate, large biaxial stresses will be generated in the Cu film. Thus, the Cu film becomes unstable and even changes its morphologies which affects the device manufacturing yield and ultimate reliability. The structural stability and theoretical strength of Cu crystal under equal biaxial loading have been investigated by combining the MAEAM with Milstein-modified Born stability criteria. The results indicate that, under sufficient tension, there exists a stress-free BCC phase which is unstable and slips spontaneously to a stress-free metastable BCT phase by consuming internal energy. The stable region ranges from −15.131 GPa to 2.803 GPa in the theoretical strength or from −5.801% to 4.972% in the strain respectively.

show abstract

Section: Maeammentioning

confidence: 99%

Section: Maeammentioning

confidence: 99%

Structural stability and theoretical strength of Cu crystal under equal biaxial loading

et al. 2010

View full text Add to dashboard Cite

show abstract

“…By substituting physical parameters of Fe [32]: the unstressed lattice constant a 0 , cohesion energy E c , mono-vacancy formation energy E 1f , and elastic constants C 11 , C 12 and C 44 , into Eqs. (8)- (15) of reference 22, we can obtain the model parameters which are listed in table 1.…”

Section: Theorymentioning

confidence: 99%

The structural response of BCC Fe lattice loaded in [110] direction

Wang

Zhang²,

2009

Cryst. Res. Technol.

View full text Add to dashboard Cite

The structural response of BCC Fe lattice loaded in [110] direction has been investigated with MAEAM. The results show that, even if an orthorhombic path (b 2 ≠b 3 ) is applied, the deformation is spontaneous along the tetragonal path (b 2 ≡b 3 ) while b 1 is less than 0.3449 nm in compressive region. In addition to the initial BCC phase, a BCT phase and the other BCC phase appear also at stress-free states. The BCT phase with the local maximum internal energy of -4.227 eV is unstable and would slip spontaneously into the appeared BCC phase with the same minimum internal energy of -4.280 eV as the initial BCC phase. The stable region ranges from -43.87 eV/nm 3 to 44.06 eV/nm 3 in the theoretical strength or from -7.34% to 6.49% in the strain correspondingly. Furthermore, the relations B 11 =B 22 , B 13 =B 23 and B 44 =B 55 occur at the initial state.

show abstract

“…where 2e r and 3e r are the second and the third neighbor distance at equilibrium, and By substituting physical parameters a 0 , E c , E 1f , C 11 , C 12 and C 44 [31] (listed in table 1 for convenience) into Eqs. (9)- (15) and (17)- (20), the parameters needed for energy calculation of Fe with MAEAM can be obtained.…”

Section: Theorymentioning

confidence: 99%

“…(9)- (15) and (17)- (20), the parameters needed for energy calculation of Fe with MAEAM can be obtained. Table 1 The input physical parameters for Fe, a 0 is in nm, E c and E 1f in eV and C ij in GPa [31]. Theoretical simulations and the stability criteria Figure 1 shows the BCC crystal is subjected to a uniaxial stress parallel to edge a 1 and perpendicular to edges a 2 and a 3 .…”

Section: Theorymentioning

confidence: 99%

MAEAM investigation of the structural stability and theoretical strength of Fe crystals under uniaxial loading

Zhang¹,

Wang

2008

Cryst. Res. Technol.

View full text Add to dashboard Cite

The structural stability and theoretical strength of BCC crystal Fe under uniaxial loading have been investigated with the modified analytic embedded-atom method (MAEAM). Even if an orthorhombic path is applied, the deformation is spontaneous along the tetragonal path till Milstein modified Born criterion B 22 -B 23 >0 is violated at λ 1 =0.9064 in the compressive region. The branched orthogonal path with lower compressive stress σ 1 and energy E is preferred over the conventional tetragonal Bain path. A stress-free FCC phase with the local maximum energy of -4.2186eV appearing either in compressive region (orthorhombic path) at λ 1 =0.8923 or in tensile region (tetragonal path) at λ 1 =1.2619 is unstable and would slip spontaneously into its near neighbor stress-free mBCT phase with the local minimum energy of -4.2270eV. The initial BCC phase with the lowest energy of -4.280eV is the most stable in correspondence with the actual behavior of Fe. Furthermore, the stable region ranges from -79.7eV/nm 3 to 30.6eV/nm 3 in the theoretical strength or from 0.9064 to 1.1788 in the stretch λ 1 correspondingly.

show abstract

Modified analytic EAM potentials for the binary immiscible alloy systems

Cited by 40 publications

References 8 publications

Structural stability and theoretical strength of Cu crystal under equal biaxial loading

Structural stability and theoretical strength of Cu crystal under equal biaxial loading

The structural response of BCC Fe lattice loaded in [110] direction

MAEAM investigation of the structural stability and theoretical strength of Fe crystals under uniaxial loading

Contact Info

Product

Resources

About