Table 2 Lattice constants (a and c), cohesion energies (Ec), elastic constants (Cij) and bulk moduli (B0) of Al, Ni and Y fitted by the constructed potential and observed from experiments (Ref. 30, 31).Lattice constants a and c are expressed in Å, cohesion energies Ec in eV/atom, elastic constants Cij and bulk moduli B0 in Mbar.

From: Atomistic Design of Favored Compositions for Synthesizing the Al-Ni-Y Metallic Glasses

 

fcc-Al

fcc-Ni

hcp-Y

Fitted

Expt.

Fitted

Expt.

Fitted

Expt.

a

4.051

4.050a

3.524

3.517a

3.650

3.648a

c

    

5.958

5.732a

E c

3.387

3.390b

4.423

4.440b

4.361

4.370b

C 11

0.821

1.067a

2.385

2.418a

0.639

0.779a

C 12

0.705

0.604a

1.630

1.550a

0.348

0.285a

C 13

    

0.294

0.210a

C 33

    

0.703

0.769a

C 44

0.289

0.283a

1.217

1.242a

0.108

0.243a

B 0

0.743

0.722a

1.882

1.860a

0.428

0.415a

  1. aRef. 30.
  2. bRef. 31.
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