S.M.J.G. Erkens
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183 records found
1
Accurate prediction of rolling resistance (RR) is essential for improving vehicle fuel efficiency and supporting policymakers in making sustainable environmental decisions. This study introduces a novel framework that integrates both data-driven and physics-based approaches to enhance RR prediction by incorporating tire-penetration level indicator, the Delta (δ) parameter. The research investigates the relationships between RR, the δ parameter, and texture properties to refine predictive modelling. A portable device was built to measure the in-field δ parameter using tire-pavement interaction. Machine learning (ML) techniques, including multiple linear regression (MLR), random forest regressor (RFR), artificial neural networks (ANN) and finite element method-based (FEM) tire-pavement interaction models were employed to develop and validate the framework. Findings from the FEM tire-pavement interaction model confirmed the reliability of the δ parameter. Exploratory data analysis (EDA) highlighted the strong correlation between texture metrices such as MPD, ETD, and RMS, reinforcing the δ parameter's role in tire-pavement interactions. Comparative analysis of different pavement surfaces revealed that worn surfaces contribute to higher δ parameter values and increased RR. The improvement resulting from the inclusion of the δ parameter is particularly evident in the ANN and RF models, confirming nonlinear interaction effects between tire penetration and surface texture. It was also observed that the obtained RR data follow a non-normal distribution, which most of the previous studies did not consider. A deeper statistical insight showed that the δ parameter has a significant impact on RRC prediction. The primary contribution of this study lies in demonstrating the feasibility of integrating a physics-based tire-pavement interaction parameter into ML models for rolling resistance prediction, thereby bridging mechanistic modelling and machine learning within pavement engineering.
Accurate replication of pavement textures is crucial for tire-pavement interaction studies in laboratory conditions, particularly at the macro-texture level. Existing replication methods often rely on costly equipment and lack standardized procedures for validating surface replicas. This study presents a novel methodology to replicate pavement surfaces and validation. The methodology integrates Mean Texture Depth (MTD) as a 3D texture indicator, silicone rubber casting technology, Finite Element (FE)-based 3D geometric calculations, and smartphone-video-based digital modelling using computer vision. Different asphalt mixtures with distinct surface textures were used for the development of the physical and digital replicas. Physical replicas were produced through silicone casting and epoxy molding, while digital replicas were generated using the Structure-from-Motion technique. Validation was conducted using the standard sand patch test for physical samples and FE-based MTD calculations for digital models. The results showed strong agreement between the replicas and the original pavement samples. Statistical analyses confirmed normal distribution, variance homogeneity, and no significant differences between digital and physical samples. The findings of this study are expected to benefit road authorities in the design and laboratory testing of pavement surfaces, with the aim of evaluating pavement performance.
Scymol
A python-based software package for initializing and running molecular dynamics simulations using LAMMPS
A major contributor to GHG emissions is the transportation sector, particularly pavement transport. The limited understanding of tire-pavement interactions leads to inaccurate predictions of these emissions, particularly from rolling resistance (RR). Traditional methods for predicting RR are constrained by their limited applicability and inability to account for the complex dynamics of tire-pavement interactions, resulting in poor prediction accuracy. These limitations make it challenging for policymakers to make proper decisions, as existing methods are manual and labour-intensive. This study aims to develop an automated system to capture tire-pavement interaction data using the Laser Crack Measurement System (LCMS). To the best of the authors' knowledge, no robust technique currently exists for automatically calculating tire penetration-related information from LCMS data to predict RR. Therefore, this research explores machine learning (ML)-based models to reduce uncertainties in existing approaches and enhance RR predictions using automated LCMS data. It examines the relationships between RR, tire penetration volume, and the characteristics of the Dutch pavement network, comparing the results with those of commonly used RR prediction models. The study introduces an automatic tire penetration calculation approach using LCMS data to assess the impact of tire penetration volume and depth on RR in relation to surface properties. The findings reveal that traditional empirical models show poor correlations between RR and texture indicators, whereas ML-based models significantly improve the accuracy of RR predictions. These results could inform the development of strategies to reduce GHG emissions from pavement transport, supporting global efforts to combat climate change and achieve the goals of the Paris Agreement.
Pavement materials that could enhance the mechanical properties of open-graded porous asphalt mixtures in long-term service periods could offer a solution to produce long-life pavements, causing a reduction of interventions' needs, as well as the associated disruptions to road users and user costs. One option to improve the longevity of open-graded porous mixtures is with the use of epoxy asphalt that, despite its high initial cost, offers enhanced longevity that might offset any future user and intervention costs. This study aimed to evaluate the durability of plant-produced epoxy-modified open-graded porous asphalt mixtures. A batch production plant was employed to produce loose mixtures, which were used to pave a test road in the Province of Gelderland, the Netherlands, and compact specimens in the laboratory. Control mixtures with a non-epoxy-modified asphalt binder were also produced in the same plant. The durability of laboratory- and field-compacted mixtures was evaluated by conducting indirect tensile tests before and after oven conditioning. Results illustrated that the epoxy-modified asphalt demonstrated the highest strength and stiffness values, while the strength was reduced after conditioning in a water bath with the retained strength within the allowable specification limits. This attribute was confirmed from drill cores obtained from the test road after one year in service. Also, the materials compacted in the field had slightly higher strength and stiffness values than the laboratory-produced mixtures. Although the results provided have illustrated the improvement of durability of open-graded porous asphalt with implementing epoxy modification, further evidence from the test road over the years is needed for validation.
This research addresses the critical issue of load transfer efficiency (LTE) in jointed plain concrete pavements (JPCP), with a specific focus on the role of dowel bars in ensuring optimal load transfer and providing a comfortable ride for vehicles. While experimental studies have investigated factors like joint width, slab thickness, concrete strength, and dowel bar size that influence LTE, they are limited in their ability to accurately replicate real-world conditions and can be time-consuming. To overcome these limitations, finite element modelling (FEM) is employed as a powerful tool for simulating complex loading conditions and analyzing stress and strain distributions in pavements. The primary objective of this research is to develop an advanced FE model that incorporates the forklift tire-pavement interaction, enabling precise analysis of complex loading conditions in industrial pavements and the impact of various rigid pavement parameters on load transfer. By explicitly considering the interaction between the tire and pavement, the proposed model will provide an extensive and robust numerical tool for designers and engineers. Additionally, this study represents a novel framework to integrate concrete pavement dowel bars and complex tire modelling using FEM. The developed methodology holds significant promise in optimizing the design of dowel bar systems and back-calculating the pavement parameters for rolling weight deflectometers.
This study advances that foundation by employing Artificial Neural Networks (ANNs), which—when properly trained—can capture complex relationships with greater continuity and generalizability. Beyond simply replacing RFRs, we develop a fully automated framework for constructing Machine Learning Models (MLMs) to predict density and thermal expansion coefficients of bitumen. Using Optuna for hyperparameter optimization, we ensure that the information extracted from MD simulations is utilized effectively.
The resulting ANN models accurately reproduce MD-predicted densities, achieving R2>0.99, MSEs below 0.1 %, and maximum absolute errors below 5 % on test data. In addition to reducing computational cost, the models exhibit improved interpolation and extrapolation capabilities, enabling reliable predictions for properties, ranges, and compositions not explicitly simulated.
Key aspects of our approach include:
• Transitioning from RFRs to ANNs, improving generalization, interpolation, and predictive accuracy.
• Automated hyperparameter optimization, leveraging Optuna to maximize model efficiency.
• Expanding applicability, enabling property prediction for unseen compositions without additional MD simulations. ...
This study advances that foundation by employing Artificial Neural Networks (ANNs), which—when properly trained—can capture complex relationships with greater continuity and generalizability. Beyond simply replacing RFRs, we develop a fully automated framework for constructing Machine Learning Models (MLMs) to predict density and thermal expansion coefficients of bitumen. Using Optuna for hyperparameter optimization, we ensure that the information extracted from MD simulations is utilized effectively.
The resulting ANN models accurately reproduce MD-predicted densities, achieving R2>0.99, MSEs below 0.1 %, and maximum absolute errors below 5 % on test data. In addition to reducing computational cost, the models exhibit improved interpolation and extrapolation capabilities, enabling reliable predictions for properties, ranges, and compositions not explicitly simulated.
Key aspects of our approach include:
• Transitioning from RFRs to ANNs, improving generalization, interpolation, and predictive accuracy.
• Automated hyperparameter optimization, leveraging Optuna to maximize model efficiency.
• Expanding applicability, enabling property prediction for unseen compositions without additional MD simulations.
This study employs strain-controlled oscillatory deformations in Molecular Dynamics (MD) simulations to evaluate the dynamic properties of all-atom molecular systems, specifically targeting the SARA fractions of bitumen. Twelve molecular systems representing these fractions were modeled using the PCFF force field. The simulations effectively captured their viscoelastic properties across multiple frequency domains, including Elastic, Glassy, Rubbery, and Viscous responses. Reported storage and loss moduli range from thousands to tens of megapascals, with viscosities from tens to near-zero Pascal-seconds across various frequencies and temperatures, aligning well with experimental observations. Saturates and Aromatics were identified as the softest and most thermally susceptible fractions, while Resins and Asphaltenes were the stiffest and least susceptible. The study reveals that the relaxation time of all-atom molecular systems is significantly shorter than in experimental setups, necessitating careful comparison of stress-related phenomena across equivalent relaxation times. Although this allows for the exploration of response profiles in computationally tractable simulations, the nature of all-atom force fields and simulation algorithms introduces spatiotemporal scale discrepancies that must be addressed in future simulations involving the study of stress-related phenomena using MD.
SMI2PDB
A self-contained Python tool to generate atomistic systems of organic molecules using their SMILES notations
The linear viscoelastic behavior of materials is represented using mechanical models of choice, which are further utilized in different numerical investigations, such as finite element simulations and discrete element simulations. Burger's model is one of the widely adopted mechanical models and remains highly favored in contemporary research due to its multiple advantages. Specifically, it excels in representing long-term creep and stress relaxation behavior in a relatively simplified manner. Accurate identification of the long-term behavior for the viscoelastic material, particularly asphalt concrete, is crucial, as it serves as a key indicator of asphalt pavement performance over its service life. However, past research studies show that the parameters of Burger's model should be back-calculated from experimental data only within a limited range of frequency, otherwise, the parameters fail to represent the true material behavior. To the best of the authors’ knowledge, there is no approach for researchers to obtain the critical frequency range in which the experiments should be performed. Therefore, this study proposes a novel framework to find the critical frequency range to obtain appropriate model parameters of Burger's model, to better characterize the viscoelastic behavior of the materials. To examine the framework, asphalt concrete mixtures are used as examples in this study. Necessary laboratory tests including complex modulus tests and stress relaxation tests, are performed on two distinctive types of asphalt concrete mixtures. The generalized Maxwell model with different number of Maxwell chains are used to evaluate the performance of Burger's model. Furthermore, since commercially available finite element packages generally do not have a direct built-in Burger's model, the article shows a way of implementing Burger's model in finite element simulation. The simulations corresponding to the laboratory tests are carried out in both frequency domain and time domain to thoroughly evaluate the performance of Burger's model. The optimal frequency range of 0.1–20 Hz for the examined mixtures is found to significantly improve the accuracy of the descriptive master curve. The results also suggest that the generalized Maxwell model requires a minimum of four Maxwell chains to maintain good performance in accurately characterizing the behavior of asphalt mixtures. However, adding more Maxwell chains beyond a critical limit may not provide significant benefits. Finite element simulations demonstrate that the stress relaxation behavior predicted by the obtained Burger's model parameters aligns more closely with experimental data over longer time intervals. This makes Burger's model a strong choice for aiding in the design of simulations for studies focused on the long-term behavior of materials.
The relationship between real-world traffic and pavement raveling is unclear and subject to ongoing debates. This research proposes a novel approach that extends beyond traditional correlation analyses to explore causal mechanisms between mixed traffic and raveling. This approach incorporates the causal discovery method, and is applied to five Dutch porous asphalt (PA) highway sites that have substantial data sets. Findings indicate a nonlinear relationship between traffic volume and raveling, with road age emerging as a shared contributor. The results also suggest that the degree to which different vehicle types contribute as a causal factor for raveling varies with carriageway configurations and lane characteristics. This underlines the need for targeted maintenance strategies. Challenges remain due to confounding correlations among traffic variables, necessitating further development of causal discovery models. This study may not conclusively resolve the debate on to what extent traffic contributes to raveling, but we argue we provide sufficient evidence against rejecting this hypothesis.
PDB2DAT
Automating LAMMPS data file generation from PDB molecular systems using Python, Rdkit, and Pysimm
Exploring the impact of humidity and water on bituminous binder aging
A multivariate analysis approach (TI CAB)
Bituminous binders naturally age, affecting the properties and performance of asphalt pavements. The physical and chemical characteristics of binders are influenced by environmental factors, leading to a decline in their performance and durability. Therefore, it is essential to understand the mechanisms of binder environmental aging to design more resilient and long-lasting asphalt pavements. This study examines the effects of temperature, liquid, and vapor water on binder aging to develop more durable pavements. Aging was induced at three temperatures (60°C, 70°C, 85°C) under dry air, 90% relative humidity, and water immersion conditions. Field-aged samples were also analyzed to compare with laboratory-aged samples. Fourier-transform infrared spectroscopy (FTIR) and dynamic shear rheometer (DSR) were used to assess chemical and rheological changes. To assess the similarity between samples and identify the lab aging protocol closest to field aging, Hierarchical Cluster Analysis (HCA) was employed for data analysis.