Effects of surface texture and its mineral composition on interfacial behavior between asphalt binder and coarse aggregate

Towards an understanding of diffusion mechanism of bio-rejuvenators in aged asphalt binder through molecular dynamics simulation

“…Molecular dynamics (MD) is a virtual experimental method that is used to characterize the motion properties of a particle by solving the Newton motion equations (Feng et al, 2020;Long et al, 2021;Yao et al, 2019;You et al, 2020). MD can overcome the shortcomings of the aforementioned macroscopic experimental methods.…”

Application of molecular dynamics simulations in interface interaction of clay: Current status and perspectives

“…The simulation results are analyzed by the spatial equilibrium configuration of the adsorbed surface, the concentration distribution curve of atoms at the interface, the radial distribution function of atoms, and the self‐diffusion coefficient 30,31 . The spatial equilibrium configuration of surface adsorption is the most intuitive embodiment of water or agent molecules adsorbed on the surface.…”

Measuring aggregate morphologies based on three‐dimensional curvature analysis

“…It provides the information of aggregate texture, angularity, and form by analyzing aggregate outlines and the height of silhouette centroid. The computational formulas of texture, angularity, and form are shown as Equation ( 17) to ( 19), respectively, where D i,j is decomposition function; N is total number of coefficients; x,y is the location of the coefficients; n is the total number of points; θ is angle of orientation; i is the ith point on the edge of the particle; D S , D I , and D L are the shortest, intermediate, and longest dimension of aggregate, respectively (Bessa et al, 2014;Feng et al, 2020):…”

“…It provides the information of aggregate texture, angularity, and form by analyzing aggregate outlines and the height of silhouette centroid. The computational formulas of texture, angularity, and form are shown as Equation () to (19), respectively, where D i,j is decomposition function; N is total number of coefficients; x,y is the location of the coefficients; n is the total number of points; θ is angle of orientation; i is the i th point on the edge of the particle; D S , D I , and D L are the shortest, intermediate, and longest dimension of aggregate, respectively (Bessa et al., 2014; Feng et al., 2020): $$\begin{equation}{\rm{Texture}}\,\,{\rm{index}} = 1/3N\mathop \sum \limits_{i = 1}^3 \mathop \sum \limits_{j = 1}^N {({D_{i,j}}(x,y))^2}\end{equation}$$ $$\begin{equation}{\rm{Angularity}}\,{\rm{index}} = 1/(\frac{n}{3} - 1)\mathop \sum \limits_{i = 1}^{n - 3} \left| {{\theta _i} - {\theta _{i + 3}}} \right|\end{equation}$$ $$\begin{equation}{\rm{Form}}\,{\rm{index}} = \sqrt[3]{{\frac{{{D_S}{D_I}}}{{D_L^2}}}}\end{equation}$$…”