Table 1 Parameters and physical constants used in the models. ^aThis value was determined from the average of 28 MD simulations at P = 0 and T = 933 K containing spherical cavities of various sizes using the tungsten EAM potential used in our prior studies^58,59,60. Values for specific planar surfaces range from 2.58 J/m² to 3.30 J/m² with this potential¹⁹. ^bDetermined from a molecular statics simulation using the same potential.

T

933 K

¹⁹

γ

2.67 J/m²

(this work^a)

a₀

0.3180 nm

¹⁹

Ω

\({a}_{0}^{3}/2=1.6079\times 1{0}^{-29}\) m³

(deduced from a₀)

G

156.1 GPa

(this work)^b

b

\(\frac{{a}_{0}\sqrt{3}}{2}=\) 0.2755 nm

(deduced from a₀)

k

1.380649 × 10⁻²³ J K⁻¹

⁶¹

B (at 933 K)

9.63 cm³/mol = 1.60 × 10⁻²⁹ m³

^62,63

A_−1,1

 − 5.5991 × 10⁻²⁷ m³ K^1/2 Pa^1/3

⁵³

A_0,1

1.7400 × 10⁻²⁶ m³ Pa^1/3

⁵³

A_2,1

4.9833 × 10⁻³⁰ m³ K⁻¹ Pa^1/3

⁵³

A_0,2

 − 4.4658 × 10⁻²⁴ m³ Pa^2/3

⁵³

A_2,2

 − 8.7825 × 10⁻²⁷ m³ K⁻¹ Pa^2/3

⁵³

A_0,3

1.7595 × 10⁻²² J

⁵³

A_2,3

1.7608 × 10⁻²³ J K⁻¹

⁵³

A_−1,3

 − 3.2615 × 10⁻²¹ J K^1/2

⁵³

A_−2,3

3.1524 × 10⁻²⁰ J K

⁵³