Understanding the structure of the first atomic contact in gold

Table 2 MD results of first or last contact (JC/JOC) type in structures A and B annealed mechanically

Percentage of cases of type monomer, dimer and D.C.
Phenomena	Monomer	Dimer	Double contact
JC structure A 15 inden	20	60	20
JOC structure A 15 inden	30	60	10
JC structure B 15 inden	0	0	100
JOC structure B 15 inden	0	0	100
JC structure B 25 inden	22	0	78
JOC structure B 25 inden	22	56	22

This table contains the probabilities of finding a dimer, monomer or double contact (D.C.) in the MD simulations for the two structures (A and B) studied during the formation or the breaking of the contact and for different indentation (inden) values (15 atoms or 25 atoms in the minimum cross section).