Multiscale Modeling of Au-Island Ripening on Au(100)

Table 1

Activation energies, prefactors, and calculated rate constants (at 300 K) for the different diffusion pathways.

System	Pathway		𝐸act (eV)	𝑘0(10^12Hz)	𝑘^300K (Hz)
Terrace	I-1	A↔B (hop)	0.70	1.91	3.34
	I-2	A↔C (hop)	1.39	1.68	7.54 × 10^−12
	I-3	A↔C (exc)	0.55	1.76	1.02 × 10^3
Step-edge	II-1	A↔B	0.38	1.41	5.83 × 10^5
	II-2	A→C	0.84	1.91	1.48 × 10^−2
	II-3	C→A	0.66	1.42	1.17 × 10^1
Kink-site	III-1	A→B	0.86	1.75	6.11 × 10^−3
	III-2	B→A	0.46	1.43	2.69 × 10^4
	III-3	A→C	0.62	1.72	6.63
	III-4	C→A	0.35	1.45	1.92 × 10^6
	III-5	C→D	0.80	1.67	6.10 × 10^−2
	III-6	D→C	0.62	1.42	5.45
Inner-corner	IV-1	A→B	0.60	1.70	1.42 × 10^2
	IV-2	B→A	0.34	1.40	2.72 × 10^6
	IV-3	B→C	0.93	1.64	3.91 × 10^−4
	IV-4	C→B	0.63	1.50	3.93
Outer-corner	V-1	A→B	0.75	1.55	3.90
	V-2	B→A	0.56	1.48	5.81 × 10^2
	V-3	A→C	0.89	1.80	2.03 × 10^−3
	V-4	C→A	0.66	1.41	1.15
	V-5	A→D	0.49	1.55	9.10 × 10^3
	V-6	D→A	0.47	1.45	1.84 × 10^4