Figure 3
From: Shear-activation of mechanochemical reactions through molecular deformation
Evolution of intact cyclohexene molecules and reaction products in simulations at 300 K and 4 GPa normal stress. The number of intact cyclohexene molecules in the system decreased as the molecules underwent oxidative chemisorption or oligomerization reactions. Simulations were repeated four times at 4 GPa, and the lines represent the average of four simulations. The shaded regions represent one standard deviation from the average. The sliding process started at ~ 0.35 ns.
