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学者姓名：袁燕
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Abstract ：
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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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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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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Abstract ：
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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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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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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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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Based on molecular dynamics, modelling and analysis of the state of salt-free ionic emulsified asphalt system with the addition of calcium ions and magnesium ions (Ca2+and Mg2+, respectively). The effect of calcium and magnesium ions on the stability of sodium dodecyl sulfate (SDS)-emulsified asphalt was investigated. To determine the effect of the metal cations on the stability of anionic emulsified asphalt, the interfacial morphological distribution, interaction of the emulsifier with water molecules, and mobility of water molecules in the emulsifier head group/metal cations was investigated. The results of the simulation analysis show that, compared to a salt-free environment, the addition of Ca2+ or Mg2+ to a salt-containing system induces aggregation between the head groups of the SDS emulsifier molecules and reduces the thickness of the SDS emulsifier headgroup distribution along the Z-axis. This, in turn, weakens the stability of the anionic emulsified asphalt. Compared to the Ca2+-emulsified asphalt system, the Mg2+-emulsifier headgroup molecules are more easily bound to water molecules and more difficult to dissociate from them. Thus, the addition of Mg2+ is more likely to reduce the stability of the emulsion. Furthermore, the results of the simulated data analysis indicate that the addition of cations to the emulsified asphalt system, particularly Mg2+, reduces the mobility of the water molecules surrounding the head group, thereby reducing the stability of the emulsion. The results of the molecular simulations are consistent with the experimental results in the literature. Thus, the validity of using molecular dynamics to analyze the effect of metal cations on anionic emulsified asphalt was verified.
Keyword ：
Anionic emulsified asphalt Anionic emulsified asphalt Cation Cation Interaction energy Interaction energy Molecular dynamics Molecular dynamics Stability Stability
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| GB/T 7714 | Yuan, Yan , Chen, Hongyu , Wang, Yefei et al. How calcium and magnesium ions affect the stability of asphalt with anionic emulsifiers: A molecular dynamics study [J]. | CONSTRUCTION AND BUILDING MATERIALS , 2023 , 400 . |
| MLA | Yuan, Yan et al. "How calcium and magnesium ions affect the stability of asphalt with anionic emulsifiers: A molecular dynamics study" . | CONSTRUCTION AND BUILDING MATERIALS 400 (2023) . |
| APA | Yuan, Yan , Chen, Hongyu , Wang, Yefei , Xu, Song , Xue, Bin , Zou, Guilian et al. How calcium and magnesium ions affect the stability of asphalt with anionic emulsifiers: A molecular dynamics study . | CONSTRUCTION AND BUILDING MATERIALS , 2023 , 400 . |
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本实用新型属于拼接件技术领域，公开了一种梁式试件拼接模具，内模具镶嵌在外模具内部，内模具上端设有盖板，内模具与外模具设有抓取把手，内模具与外模具周围挡板通过螺纹螺钉固定连接；内模具与外模具通过拼接配套使用，一个内模具配套若干个内模具和盖板。内模具设有底板，底板上端通过内六角螺丝连接有内模具侧板和内模具挡板，底板边缘处、内模具侧板的两端和内模具挡板两侧设有沉头孔。外模具设有外模具挡板和侧板，外模具挡板两侧分别嵌有三根螺丝，侧板两侧对应位置设有三个通孔，通过螺母将外模具的侧板和外模具挡板固定连接。外模具是为内模具提供支撑，避免内模具在压力机加压过程中变形，外模具起到良好的支撑效果。
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| GB/T 7714 | 薛道耐 , 袁燕 . 一种梁式试件拼接模具 : CN202222673887.3[P]. | 2022-10-11 00:00:00 . |
| MLA | 薛道耐 et al. "一种梁式试件拼接模具" : CN202222673887.3. | 2022-10-11 00:00:00 . |
| APA | 薛道耐 , 袁燕 . 一种梁式试件拼接模具 : CN202222673887.3. | 2022-10-11 00:00:00 . |
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本实用新型提供一种用于定位沥青路面均匀性的图像采集装置，该图像采集装置包括智能手机、采集箱、用于固定所述智能手机的手机夹具、LED灯条、移动电源、遮光布、蓝牙连接器、GPS定位芯片、高度调节杆、遮光板、功率调节器、以及LED灯开关；该图像采集装置能弥补现有图像采集时的不足，增加了采集装置适用的使用环境，解放人力，提高采集的精度，能获取到保证像素相同、光照条件一致、拍摄位置明确的数字图像。
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| GB/T 7714 | 杨志伟 , 袁燕 . 一种用于定位路面均匀性的图像采集装置 : CN202320546541.9[P]. | 2023-03-20 00:00:00 . |
| MLA | 杨志伟 et al. "一种用于定位路面均匀性的图像采集装置" : CN202320546541.9. | 2023-03-20 00:00:00 . |
| APA | 杨志伟 , 袁燕 . 一种用于定位路面均匀性的图像采集装置 : CN202320546541.9. | 2023-03-20 00:00:00 . |
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