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To investigate the effects of ionic emulsifiers on the stabilization of emulsified asphalt, this paper used the Materials Studio software package to model a two-layer structure consisting of asphalt-emulsifier-water-emulsifier-asphalt. The principles of molecular dynamics were used to simulate the emulsified asphalt solution with various types of ionic emulsifier molecules. The effects of the anionic (SDS)/cationic (CTAB) emulsifiers on the stability of the emulsified asphalt were studied and compared. The following performance metrics were investigated: the interfacial monolayer morphology of the emulsifier molecules; the interaction energy between the emulsifier molecules and the water molecules; and the interaction energy between the emulsifier molecules and the asphalt phase/water phase. The results showed that, compared with CTAB emulsifier molecules, SDS emulsifier molecules had a higher extent of aggregation in the emulsified asphalt model system. The binding ability between the SDS emulsifier and the water molecules was stronger than that of the CTAB emulsifier molecules and negatively affects the stability of emulsified asphalt. Compared with the CTAB emulsified asphalt system, the SDS emulsified asphalt system has higher binding energy. In general, the stability of the CTAB-emulsified asphalt system is better than that of the SDS-emulsified asphalt system.
Keyword :
Electrostatic potential Electrostatic potential Emulsified asphalt Emulsified asphalt Emulsifier Emulsifier Molecular simulation Molecular simulation Stability Stability
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GB/T 7714 | Yuan, Yan , Chen, Hongyu , Wang, Yefei et al. Effect of Ionic Emulsifiers on the Stability of Emulsified Asphalt Based on Molecular Dynamics Simulation [J]. | JOURNAL OF MATERIALS IN CIVIL ENGINEERING , 2025 , 37 (3) . |
MLA | Yuan, Yan et al. "Effect of Ionic Emulsifiers on the Stability of Emulsified Asphalt Based on Molecular Dynamics Simulation" . | JOURNAL OF MATERIALS IN CIVIL ENGINEERING 37 . 3 (2025) . |
APA | Yuan, Yan , Chen, Hongyu , Wang, Yefei , Xu, Song , Xue, Bin . Effect of Ionic Emulsifiers on the Stability of Emulsified Asphalt Based on Molecular Dynamics Simulation . | JOURNAL OF MATERIALS IN CIVIL ENGINEERING , 2025 , 37 (3) . |
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Asphalt mixture is a typical granular material, and its macroscopic properties are closely related to the interaction behavior of aggregate particles at the micro scales. Discrete element method (DEM), as an important numerical simulation method in granular mechanics, plays an increasingly important role in analyzing the aggregate packing characteristics, skeleton features, predicting mechanical and pavement performance of asphalt mixtures. However, the complexity of the composition of asphalt mixtures, including the particle size, shape, spatial distribution of aggregate particles, and the viscoelasticity of asphalt binders sensitive to temperature, load, and time, increases the difficulty of constructing DEM models of asphalt mixtures, selecting contact constitutive models, and determining parameters, which directly affects the accuracy and efficiency of DEM simulations. In this review, the generation methods of idealized models, image models, and user-defined models currently used to generate DEM models of asphalt mixtures were summarized in detail. Conventional contact constitutive models, including elastic and viscoelastic contact stiffness constitutive models, as well as fracture models including bonding models and cohesive softening models, were discussed. Moreover, special contact constitutive models, such as damage, self-healing, and two-stage contact models considering compaction evolution, were also summarized and discussed. Then, the contact constitutive model parameters were classified and related determination methods were summarized, and the latest application directions of DEM in current asphalt mixture research were classified. On this basis, relevant discussions were carried out, and the challenges and future development prospects faced by DEM in asphalt mixture research were proposed.
Keyword :
Application Application Asphalt mixture Asphalt mixture Contact constitutive model Contact constitutive model Discrete element method Discrete element method Model generation method Model generation method
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GB/T 7714 | Xue, Bin , Que, Yun , Pei, Jianzhong et al. A state-of-the-art review of discrete element method for asphalt mixtures: Model generation methods, contact constitutive models and application directions [J]. | CONSTRUCTION AND BUILDING MATERIALS , 2024 , 414 . |
MLA | Xue, Bin et al. "A state-of-the-art review of discrete element method for asphalt mixtures: Model generation methods, contact constitutive models and application directions" . | CONSTRUCTION AND BUILDING MATERIALS 414 (2024) . |
APA | Xue, Bin , Que, Yun , Pei, Jianzhong , Ma, Xiaoyan , Wang, Di , Yuan, Yan et al. A state-of-the-art review of discrete element method for asphalt mixtures: Model generation methods, contact constitutive models and application directions . | CONSTRUCTION AND BUILDING MATERIALS , 2024 , 414 . |
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To improve the predictive ability of existing models for predicting the compaction density of asphalt pavement,a test site was set up on the upper layer of the Xiang’an Airport Highway Project in Xiamen. The CCV,DMV and VCV,which represent the change of harmonic ratio,energy,and mechanics in the vibration and compression process,respectively,as well as the temperature,were chosen as indicators. The isolation forest algorithm was used to detect outliers in indicators. The density prediction model was established based on the partial least squares regression. The results show that the isolation forest can effectively recognize outliers of high-dimensional data,covering the shortage that traditional methods can only process one-dimensional data. There are different degrees of positive correlation between temperature,other indicators,and asphalt pavement density. The multiple regression model based on CCV,DMV,and VCV obtains better fitting ability than the unitary regression methods,proving the feasibility of multiple indicators. The partial least squares regression can restrain the adverse impact caused by the approximate collinearity between independent variables,correct the incorrect weight of temperature,and improve the fitting degree compared with the common multiple linear regression methods. The final determination coefficient of the model on the training set is 0.83,and on the test set is 0.81,indicating good predictive ability for asphalt pavement density. © 2024 Hunan University. All rights reserved.
Keyword :
Asphalt Asphalt Asphalt pavements Asphalt pavements Compaction Compaction Multiple linear regression Multiple linear regression
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GB/T 7714 | Que, Yun , Dai, Yi , Xue, Bin et al. Intelligent Compaction Density Prediction Model of Asphalt Pavement Based on Multiple Indicators [J]. | Journal of Hunan University Natural Sciences , 2024 , 51 (11) : 147-157 . |
MLA | Que, Yun et al. "Intelligent Compaction Density Prediction Model of Asphalt Pavement Based on Multiple Indicators" . | Journal of Hunan University Natural Sciences 51 . 11 (2024) : 147-157 . |
APA | Que, Yun , Dai, Yi , Xue, Bin , Zhang, Chanlin , Mu, Honglin , Yuan, Yan . Intelligent Compaction Density Prediction Model of Asphalt Pavement Based on Multiple Indicators . | Journal of Hunan University Natural Sciences , 2024 , 51 (11) , 147-157 . |
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为提高现有沥青路面压实密度预测模型预测能力,以厦门翔安机场高速公路的路面段为试验场地,选取分别代表振压过程中谐波比、能量和力学变化的压实控制值CCV、耗散测量值DMV、振动压实值VCV以及温度作为监测指标,采用孤立森林算法进行监测指标异常点识别,基于最小偏二乘回归建立多指标沥青路面压实密度预测模型.结果表明:孤立森林算法可有效识别高维数据异常点,弥补传统方法只能处理一维数据的不足;温度与其他监测指标以及沥青路面密度存在不同程度正相关关系;基于CCV、DMV、VCV的多元回归模型拟合性能优于一元回归模型性能,论证了多指标评价方法可行性;最小偏二乘回归可改善自变量间共线性对模型权重的影响,解决温度权重与实际物理意义相互颠倒的问题;相比普通多元线性回归,最小偏二乘回归能进一步提高模型拟合能力,模型最终在训练集上的决定系数为0.83,在测试集上的决定系数为0.81,具有良好的沥青路面压实密度预测能力.
Keyword :
孤立森林 孤立森林 智能压实 智能压实 智能压实测量值 智能压实测量值 最小偏二乘回归 最小偏二乘回归 沥青路面 沥青路面
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GB/T 7714 | 阙云 , 戴伊 , 薛斌 et al. 沥青路面压实密度多指标智能预测模型 [J]. | 湖南大学学报(自然科学版) , 2024 , 51 (11) : 147-157 . |
MLA | 阙云 et al. "沥青路面压实密度多指标智能预测模型" . | 湖南大学学报(自然科学版) 51 . 11 (2024) : 147-157 . |
APA | 阙云 , 戴伊 , 薛斌 , 章灿林 , 牟宏霖 , 袁燕 . 沥青路面压实密度多指标智能预测模型 . | 湖南大学学报(自然科学版) , 2024 , 51 (11) , 147-157 . |
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Snow and ice on the pavement surfaces in winter seriously threaten the traffic safety. This study prepared high-elastic/salt-storage (HESS) asphalt mixtures containing rubber particles (RP) and self-developed salt-storage fillers to improve deicing performance in various aspects. Specifically, the RP was incorporated into the asphalt mixture by replacing 1 %, 2 %, and 3 % of fine aggregate by mass and the self-developed salt-storage filler was incorporated into the asphalt mixture to replace 25 %, 50 %, and 75 % of the mineral filler by equal volume. Hydrated lime was used as a mineral filler to enhance the asphalt mixtures' water damage resistance. The pavement performance of HESS asphalt mixtures was first studied. The pull-out and fall ball impact tests were designed to investigate the composite deicing effect of RP and salt-storage filler on the asphalt mixtures. A self-designed rainfall simulation test was used to assess the long-term deicing performance of HESS asphalt mixtures. Results showed that the incorporation of RP improves the high-temperature stability and low-temperature crack resistance of the mixtures, but negatively affects their water damage resistance. The RP content should not exceed 3 % to guarantee water damage resistance. Due to combining effects RP and salt-storage fillers, the deicing performance of HESS asphalt mixtures has been improved by 15.9 % and 10.6 % as compared to the addition of RP and salt-storage fillers separately. It is recommended to replace the fine aggregates with the RP at content of 1.5-3 % by mass and 60-75 % mineral filler with the salt-storage filler by volume.
Keyword :
Deicing performance Deicing performance High-elastic/salt-storage asphalt mixture High-elastic/salt-storage asphalt mixture Long-term deicing performance Long-term deicing performance Rubber particle Rubber particle Salt-storage filler Salt-storage filler
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GB/T 7714 | Zou, Guilian , Chen, Qi , Jiao, Youqing et al. Research on deicing performance of high-elastic/salt-storage asphalt mixture containing rubber particle and self-developed salt-storage filler [J]. | CONSTRUCTION AND BUILDING MATERIALS , 2024 , 449 . |
MLA | Zou, Guilian et al. "Research on deicing performance of high-elastic/salt-storage asphalt mixture containing rubber particle and self-developed salt-storage filler" . | CONSTRUCTION AND BUILDING MATERIALS 449 (2024) . |
APA | Zou, Guilian , Chen, Qi , Jiao, Youqing , Yuan, Yan , Zhang, Yuan , Yu, Jiangmiao . Research on deicing performance of high-elastic/salt-storage asphalt mixture containing rubber particle and self-developed salt-storage filler . | CONSTRUCTION AND BUILDING MATERIALS , 2024 , 449 . |
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To investigate the different effects of different ionic emulsifiers on the stability of emulsified asphalt,based on molecular dynamics simulation, the double-layer model structure of 'asphalt-emulsifier-water-emulsifier-asphalt'was constructed by using Materials Studio software,and emulsified asphalt systems containing different ionic emulsifier molecules were simulated to compare the effect of anionic (SDS)/cationic (CTAC)emulsifiers on the stability of emulsified asphalt. The changes in the relative concentration distribution,interfacial film thickness,interfacial formation energy,and electrostatic potential (ESP) of the asphalt emulsions were compared with the addition of different emulsifier molecules in order to analyze the stability of the emulsified asphalt. The results show that the SDS emulsifier increases the thickness of the interfacial layer between asphalt and water,reduces the interfacial tension between the two phases,and improves the stability of the emulsified asphalt,compared with the CTAC emulsifier. From the perspective of electrostatic potential analysis,compared with CTAC emulsifier,SDS emulsifier molecule has a larger maximum electrostatic potential of the alkane chain,and it is more likely to bond with atoms with negative electrostatic potential. Therefore,the overall stability of emulsified asphalt with an SDS emulsifier is better than that of emulsified asphalt with a CTAC emulsifier. © 2024 Hunan University. All rights reserved.
Keyword :
Asphalt Asphalt Computer software Computer software Electrostatics Electrostatics Emulsification Emulsification Molecular dynamics Molecular dynamics Molecules Molecules Stability Stability
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GB/T 7714 | Yuan, Yan , Chen, Hongyu , Wang, Yefei et al. Molecular Simulation on Effect of Ionic Emulsifiers on Stability of Emulsified Asphalt [J]. | Journal of Hunan University Natural Sciences , 2024 , 51 (3) : 51-58 . |
MLA | Yuan, Yan et al. "Molecular Simulation on Effect of Ionic Emulsifiers on Stability of Emulsified Asphalt" . | Journal of Hunan University Natural Sciences 51 . 3 (2024) : 51-58 . |
APA | Yuan, Yan , Chen, Hongyu , Wang, Yefei , Xu, Song , Xue, Bin . Molecular Simulation on Effect of Ionic Emulsifiers on Stability of Emulsified Asphalt . | Journal of Hunan University Natural Sciences , 2024 , 51 (3) , 51-58 . |
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To investigate the intrinsic self-healing behavior of terminal blend (TB)-modified asphalt (TBMA), this study establishes four models of matrix asphalt, TBMA, TBMA containing styrene-butadiene- styrene (TB_SBS), and TBMA containing ethylene vinyl acetate (TB_EVA) based on molecular dynamics, and the self-healing ability of the four types of asphalt was evaluated by means of the diffusion coefficient, diffusion activation energy, and pre-exponential factor. Finally, the study analyzes and validates the self-healing performance of the asphalt through fatigue shear-healing tests. The results showed that the self-healing potentials of the four types of asphalt, as determined by the diffusion coefficient, diffusion activation energy, and pre-exponential factor, were (in descending order) TB_SBS, TBMA, TB_EVA, and matrix asphalt. In addition, the diffusion coefficient of the TBMA was increased relative to the matrix asphalt, SBS polymer further increased the diffusion coefficient, and EVA modifier had an inhibitory effect, which was related to the viscoelasticity and mechanical performance of the material. Besides, the diffusion coefficient enhancement effect of the SBS modifier on the TBMA was greater than the inhibition effect, which mainly derived from the enhancement of the diffusion coefficient of lightweight components in significantly enhancing the self-healing ability the TBMA. From microscopic and macroscopic scales, the shear-fatigue healing tests showed excellent correlation with the simulation results, demonstrating that molecular dynamics can be used to model the self-healing process of asphalt.
Keyword :
Diffusion coefficient Diffusion coefficient Molecular dynamics Molecular dynamics Road engineering Road engineering Self-healing Self-healing Terminal blend Terminal blend
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GB/T 7714 | Yuan, Yan , Lin, Mengsi , Xu, Song et al. Analysis of the self-healing mechanism of TB compound-modified asphalt based on molecular dynamics [J]. | CASE STUDIES IN CONSTRUCTION MATERIALS , 2024 , 21 . |
MLA | Yuan, Yan et al. "Analysis of the self-healing mechanism of TB compound-modified asphalt based on molecular dynamics" . | CASE STUDIES IN CONSTRUCTION MATERIALS 21 (2024) . |
APA | Yuan, Yan , Lin, Mengsi , Xu, Song , Wang, Yefei , Chen, Hongyu , Zheng, Zhidong . Analysis of the self-healing mechanism of TB compound-modified asphalt based on molecular dynamics . | CASE STUDIES IN CONSTRUCTION MATERIALS , 2024 , 21 . |
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In order to evaluate the feasibility of steel slag powder as filler, the coating properties of steel slag and limestone aggregate were compared by water boiling test, the micro morphology differences between steel slag powder and mineral powder (limestone powder) were compared by scanning electron microscope (SEM), and the high-temperature rheological properties of asphalt mortar with different ratio of filler quality to asphalt quality (F/A) and different substitution rates of mineral powder (S/F) were studied by dynamic shear rheological test. The results show that the surface microstructure of steel slag powder is more abundant than that of mineral powder, and the adhesion of steel slag to asphalt is better than that of limestone. At the same temperature, the lower the ratio of S/F is, the greater the rutting factor and complex modulus will be. In addition, the complex modulus and rutting factor of the asphalt mortar increase with the increase of F/A, and the filler type and F/A have a negligible effect on the phase angle.
Keyword :
adhesion adhesion asphalt mortar asphalt mortar high-temperature rheological properties high-temperature rheological properties microcosmic microcosmic steel slag powder steel slag powder
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GB/T 7714 | Yefei Wang , Yan Yuan , Lihong Yang et al. The Research for Surface Properties of Steel Slag Powder and High-Temperature Rheological Properties of Asphalt Mortar [J]. | Journal of Wuhan University of Technology-Mater. Sci. Ed. , 2023 , 38 (5) : 1096-1104 . |
MLA | Yefei Wang et al. "The Research for Surface Properties of Steel Slag Powder and High-Temperature Rheological Properties of Asphalt Mortar" . | Journal of Wuhan University of Technology-Mater. Sci. Ed. 38 . 5 (2023) : 1096-1104 . |
APA | Yefei Wang , Yan Yuan , Lihong Yang , Yong Liu , Yiwen Chen . The Research for Surface Properties of Steel Slag Powder and High-Temperature Rheological Properties of Asphalt Mortar . | Journal of Wuhan University of Technology-Mater. Sci. Ed. , 2023 , 38 (5) , 1096-1104 . |
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In order to evaluate the feasibility of steel slag powder as filler,the coating properties of steel slag and limestone aggregate were compared by water boiling test,the micro morphology differences between steel slag powder and mineral powder(limestone powder)were compared by scanning electron microscope(SEM),and the high-temperature rheological properties of asphalt mortar with different ratio of filler quality to asphalt quality(F/A)and different substitution rates of mineral powder(S/F)were studied by dynamic shear rheological test.The results show that the surface microstructure of steel slag powder is more abundant than that of mineral powder,and the adhesion of steel slag to asphalt is better than that of limestone.At the same temperature,the lower the ratio of S/F is,the greater the rutting factor and complex modulus will be.In addition,the complex modulus and rutting factor of the asphalt mortar increase with the increase of F/A,and the filler type and F/A have a negligible effect on the phase angle.
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GB/T 7714 | WANG Yefei , YUAN Yan , YANG Lihong et al. The Research for Surface Properties of Steel Slag Powder and High-Temperature Rheological Properties of Asphalt Mortar [J]. | 武汉理工大学学报(材料科学版)(英文版) , 2023 , 38 (5) : 1096-1104 . |
MLA | WANG Yefei et al. "The Research for Surface Properties of Steel Slag Powder and High-Temperature Rheological Properties of Asphalt Mortar" . | 武汉理工大学学报(材料科学版)(英文版) 38 . 5 (2023) : 1096-1104 . |
APA | WANG Yefei , YUAN Yan , YANG Lihong , LIU Yong , CHEN Yiwen . The Research for Surface Properties of Steel Slag Powder and High-Temperature Rheological Properties of Asphalt Mortar . | 武汉理工大学学报(材料科学版)(英文版) , 2023 , 38 (5) , 1096-1104 . |
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In order to evaluate the feasibility of steel slag powder as filler, the coating properties of steel slag and limestone aggregate were compared by water boiling test, the micro morphology differences between steel slag powder and mineral powder (limestone powder) were compared by scanning electron microscope (SEM), and the high-temperature rheological properties of asphalt mortar with different ratio of filler quality to asphalt quality (F/A) and different substitution rates of mineral powder (S/F) were studied by dynamic shear rheological test. The results show that the surface microstructure of steel slag powder is more abundant than that of mineral powder, and the adhesion of steel slag to asphalt is better than that of limestone. At the same temperature, the lower the ratio of S/F is, the greater the rutting factor and complex modulus will be. In addition, the complex modulus and rutting factor of the asphalt mortar increase with the increase of F/A, and the filler type and F/A have a negligible effect on the phase angle.
Keyword :
adhesion adhesion asphalt mortar asphalt mortar high-temperature rheological properties high-temperature rheological properties microcosmic microcosmic steel slag powder steel slag powder
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GB/T 7714 | Wang, Yefei , Yuan, Yan , Yang, Lihong et al. The Research for Surface Properties of Steel Slag Powder and High-Temperature Rheological Properties of Asphalt Mortar [J]. | JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION , 2023 , 38 (5) : 1096-1104 . |
MLA | Wang, Yefei et al. "The Research for Surface Properties of Steel Slag Powder and High-Temperature Rheological Properties of Asphalt Mortar" . | JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION 38 . 5 (2023) : 1096-1104 . |
APA | Wang, Yefei , Yuan, Yan , Yang, Lihong , Liu, Yong , Chen, Yiwen . The Research for Surface Properties of Steel Slag Powder and High-Temperature Rheological Properties of Asphalt Mortar . | JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION , 2023 , 38 (5) , 1096-1104 . |
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