2.3.2. Contact Model Selection and Microparameter Calibration
While classical viscoelastic or viscoplastic models, such as the Burgers model, offer high physical fidelity in characterizing the small-strain rheological behavior of asphalt mortar [
18,
19,
20], their application may face challenges when characterizing the transition from stable states to structural failure. This study specifically targets large-deformation processes and structural failure mechanisms that extend significantly beyond the linear viscoelastic creep regime. At these stages, microfracture within the asphalt mortar and debonding at the aggregate–mortar interface are often considered dominant failure mechanisms. The Parallel Bond Model (PBM) was therefore selected for its capacity to simulate fracture in cemented materials and the reorganization of the granular skeleton. Unlike traditional rheological models, PBM appears more effective in capturing the damage-induced instability, making it suitable for exploring the impact of pre-existing ruts on the integrity of composite structures.
The objective of this research is not to accurately reproduce the entire creep curve of asphalt concrete, but rather to explore how the internal structure of the mixture transitions from a stable state to instability and failure under extremely high temperatures. Although the PBM simplifies the material’s viscous behavior in the early deformation stages, it is highly effective in capturing: (1) Damage initiation and propagation: bond fracture intuitively reflects stress concentration and microcrack growth. (2) Skeleton restructuring process: after bond breakage, particle rearrangement through friction directly simulates the microscopic mechanisms of “compaction” and “flow” within ruts. (3) Strength parameter sensitivity.
While rheological tests provide precise viscoelastic parameters, this study focuses on the structural instability and large deformation failure under extreme conditions. Therefore, to ensure the physical rationality of the PBM, its parameters were calibrated against macroscopic laboratory wheel tracking results conducted at a test temperature of 70 °C, rather than purely rheological data. This approach ensures the model captures the correct failure modes and remains consistent with real-world material responses. After multiple trial simulations, suitable microcontact parameters for AC16 were determined, as summarized in
Table 3. A comparative analysis between the 2D virtual rutting test and laboratory rutting test results is presented in
Figure 5. The comparison indicates that the DEM model captures the macroscopic deformation characteristics with high fidelity. Specifically, the relative error in the final rut depth between the simulated and experimental results across all test cases is consistently within 10%.
For the parameterization of the sealcoat, a correction strategy based on calibrated parameters of the underlayment structure was adopted, as validated in the literature [
25]. Considering that emulsifiers in emulsified asphalt may weaken the polymer cross-linking effect, particularly after moisture evaporation at high temperatures, residual emulsifiers can act as weak points within the material. To account for this, the contact parameters of the underlayment structure at high temperatures were reduced by a factor of 0.8.
2.3.3. Void Structure Reconstruction and Composite Specimen Assembly
To accurately characterize heterogeneous void distributions induced by rutting damage, a cross-scale modelling framework integrating X-ray CT (Computed Tomography) and DEM was developed. The process commenced with CT-based void reconstruction, where AC16 rutted slabs (300 mm × 300 mm × 85 mm) at depths of 0, 3, 6, and 10 mm were scanned at an interval of 2 mm. The acquired images underwent grayscale homogenization, median filtering, and threshold segmentation in Avizo 2019.1 to reconstruct 3D void spatial distributions and quantify depth/lateral gradients, which provided the geometric basis for subsequent DEM void generation. The framework of this process is shown in
Figure 6. For DEM validation, the void ratio was calculated using Equation (5), where the depth-averaged 3D void volume from CT reconstruction was converted to a 2D equivalent value.
where
Vo is the void ratio,
Ao is the total area of the voids in the test area,
Aa is the total area of the calculated area.
This methodology has been thoroughly validated in our previous work [
15], which provides a standardized framework for the multi-scale characterization of asphalt mixtures.
Proceeding to DEM modeling, the asphalt mixture was simplified into a three-phase system comprising coarse aggregates generated per gradation specifications (generated according to gradation specifications), homogenized asphalt mortar particles of uniform size, and voids created through targeted particle deletion.
The composite model assembly is initiated with the substrate generation. The “ball distribute” command was used to generate the dense skeleton of the existing pavement layer specimen (AC16). This was combined with dynamic relaxation to eliminate initial particle overlaps and achieve a controlled-gradation initial structure. As shown in
Figure 7a, the blue particles are aggregates, and the gray particles are asphalt mortar. The porosity of the entire model is 6%.
To accurately replicate the rutted surface profiles observed in laboratory tests, a series of base course models were developed with varying rut depths. As illustrated in
Figure 7b–d, a specific region in the center of the model was designated for particle deletion. The deletion width was fixed at 50 mm, consistent with the scaled tire width used in standard [
30], while the depths were set at 3 mm, 6 mm, and 10 mm to simulate different levels of pavement deterioration.
To simulate the microsurfacing sealcoat (MS3), the “ball generate” command was employed, with specific velocity boundaries applied to the walls to replicate the actual construction sequence. This process is visually captured in
Figure 8.
Figure 8a illustrates the free-spreading (paving) of MS3 particles, while
Figure 8b demonstrates the subsequent leveling process. By integrating the dynamic migration mechanism of particles, this modeling approach effectively reproduces the flow behavior of the sealcoat material, culminating in the final AC16 + MS3 composite model shown in
Figure 8c.
To simulate rutting-induced heterogeneous void structures in mixtures, a stochastic particle deletion algorithm was implemented using CT-derived spatial void gradients (
Table 4). The regions are defined and measured according to the previous research [
15].
The procedure follows these steps:
(1) Throughout the cycling process, traverse all balls within the intersection of the relative height and specified region using the PFC command ball.list.
(2) Define a random variable “rand_val”, sampled from a uniform distribution in the range [0, 1]. This variable will be used for comparison with the void in the next step.
(3) During each cycle, if “rand_val” is (1—local target void ratio), the particle is deleted (contributing to void space); otherwise, it remains as an asphalt mortar particle.
The spatial distribution of voids is refined through a stochastic optimization process as illustrated in
Figure 9.
Figure 9a,c represents the initial states with existing rut depths of 6 mm and 10 mm before the application of the void optimization algorithm. In contrast,
Figure 9b,d demonstrates the successful generation of spatially correlated voids. The additional void spaces, which appear as white regions, are clearly visible in the middle and bottom sections of these specimens. This specific distribution pattern is designed to match the heterogeneity observed in CT scans. By incorporating these localized voids, the virtual AC16 specimens can quantitatively replicate the complex internal damage and non-uniform air void gradients found in rutted pavements.
2.3.4. Evaluating Indicators
To further clarify the distribution of contact force chain magnitudes within asphalt mixtures under rutting conditions, the size distribution was quantitatively characterized using the probability distribution
P(
f) of contact force chain magnitudes.
P(
f) is calculated according to Equation (6). A force chain is defined as a strong force chain if its contact force exceeds the average contact force, and as a weak one otherwise.
where
P(
f) is the probability distribution of the contact force chain;
f is the ratio of contact force to average contact force;
is the number of contact force chains in the specified interval,
k is the number of intervals, the interval is 0.1;
N is the total number of contact force chains.
Building upon the statistical distribution of force chains, the evolution of specific internal parameters, including the specimen porosity and the average contact force, was further investigated. The average contact force
reflects the overall intensification of the particle contact network under external loading, which is calculated as Equation (7).
where
is the total number of ball–ball contacts and
is the magnitude of the
-th contact force. By tracking these indicators, the transition from an initial loose state to a stable skeleton under rutting conditions can be clearly delineated.
Furthermore, the specimen porosity
is used to quantify the macroscale densification and the reduction of air voids within the model, which is calculated according to Equation (8).
where
is the total area of voids in the model and
is the total area of particles.