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离子乳化剂对乳化沥青稳定性影响的分子模拟 CSCD PKU
期刊论文 | 2024 , 51 (03) , 51-58 | 湖南大学学报(自然科学版)
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Abstract :

为探究不同离子乳化剂对乳化沥青稳定性产生的不同影响,基于分子动力学模拟,利用Materials Studio软件构建“沥青-乳化剂-水-乳化剂-沥青”双层模型结构,模拟含不同离子乳化剂分子的乳化沥青体系,对比研究阴(SDS)/阳(CTAC)离子乳化剂对乳化沥青稳定性的影响.对比加入不同乳化剂分子后,沥青乳液的相对浓度分布、界面膜厚度、界面形成能以及静电势(ESP)的变化,分析乳化沥青的稳定性.结果表明,相较于加入CTAC乳化剂的沥青乳液,SDS乳化剂更能增大沥青与水之间界面层的厚度,减小两相的界面张力,提高乳化沥青的稳定性;从静电势角度分析,相较于CTAC乳化剂,SDS乳化剂分子烷烃链的静电势极大值更大,更易与静电势为负值的原子相结合.因此,加入SDS乳化剂的乳化沥青,其整体稳定性能要优于加入CTAC乳化剂的乳化沥青.

Keyword :

乳化剂 乳化剂 乳化沥青 乳化沥青 分子模拟 分子模拟 稳定性 稳定性 静电势 静电势

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GB/T 7714 袁燕 , 陈宏宇 , 王叶飞 et al. 离子乳化剂对乳化沥青稳定性影响的分子模拟 [J]. | 湖南大学学报(自然科学版) , 2024 , 51 (03) : 51-58 .
MLA 袁燕 et al. "离子乳化剂对乳化沥青稳定性影响的分子模拟" . | 湖南大学学报(自然科学版) 51 . 03 (2024) : 51-58 .
APA 袁燕 , 陈宏宇 , 王叶飞 , 徐松 , 薛斌 . 离子乳化剂对乳化沥青稳定性影响的分子模拟 . | 湖南大学学报(自然科学版) , 2024 , 51 (03) , 51-58 .
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A state-of-the-art review of discrete element method for asphalt mixtures: Model generation methods, contact constitutive models and application directions SCIE
期刊论文 | 2024 , 414 | CONSTRUCTION AND BUILDING MATERIALS
WoS CC Cited Count: 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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分子动力学的不同沥青分子自愈机制分析 PKU
期刊论文 | 2024 , 52 (03) , 307-315 | 福州大学学报(自然科学版)
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Abstract :

为探究沥青材料的自愈合性能,基于分子动力学模拟,利用Materials Studio软件建立基质沥青、 SBS(styrene-butadiene-styrene)改性沥青、老化沥青以及老化SBS改性沥青的三维微裂缝模型;通过密度分析、相对浓度分布以及自由体积分数等方法,分析自愈合模型的愈合情况.结果表明,SBS改性剂对沥青的自愈有一定的促进作用,老化对沥青的自愈有一定的抑制作用,4种沥青的自愈潜力从大到小依次为SBS改性沥青、基质沥青、老化后SBS改性沥青以及老化沥青.

Keyword :

分子动力学 分子动力学 扩散系数 扩散系数 沥青胶结料 沥青胶结料 自愈合 自愈合

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GB/T 7714 袁燕 , 陈宏宇 , 王叶飞 et al. 分子动力学的不同沥青分子自愈机制分析 [J]. | 福州大学学报(自然科学版) , 2024 , 52 (03) : 307-315 .
MLA 袁燕 et al. "分子动力学的不同沥青分子自愈机制分析" . | 福州大学学报(自然科学版) 52 . 03 (2024) : 307-315 .
APA 袁燕 , 陈宏宇 , 王叶飞 , 徐松 , 薛斌 . 分子动力学的不同沥青分子自愈机制分析 . | 福州大学学报(自然科学版) , 2024 , 52 (03) , 307-315 .
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基于改进QSGS-LBM法的各向异性重构土体的渗流模拟 PKU
期刊论文 | 2024 , 52 (04) , 471-478 | 福州大学学报(自然科学版)
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为解决传统四参数随机生长(quartet structure generation set, QSGS)方法重构模型与真实土体情况不符的缺陷,提出一种改进的QSGS方法,在综合考虑各向异性、孔隙率、土体颗粒大小情况下构建各向异性多孔介质模型.采用两点自相关函数法验证模型的有效性,并结合格子玻尔兹曼方法自编Matlab程序来模拟细观渗流过程.实验发现,各向同性模型和土体CT切片的两点相关系数最大差值是各向异性模型的2.5倍以上,且流体粒子在孔道中线处的渗流速度最大,达到0.03,在孔壁处渗流速度接近于0.结果表明,各向异性模型在孔隙结构和空间分布上更接近真实土体情况,流体在渗流后期出现大孔隙优先流现象和指进现象.

Keyword :

四参数随机生长法 四参数随机生长法 格子玻尔兹曼 格子玻尔兹曼 水分迁移 水分迁移 细观渗流 细观渗流 重构土体模型 重构土体模型

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GB/T 7714 阙云 , 邱婷 , 蔡沛辰 et al. 基于改进QSGS-LBM法的各向异性重构土体的渗流模拟 [J]. | 福州大学学报(自然科学版) , 2024 , 52 (04) : 471-478 .
MLA 阙云 et al. "基于改进QSGS-LBM法的各向异性重构土体的渗流模拟" . | 福州大学学报(自然科学版) 52 . 04 (2024) : 471-478 .
APA 阙云 , 邱婷 , 蔡沛辰 , 谢秀栋 , 薛斌 . 基于改进QSGS-LBM法的各向异性重构土体的渗流模拟 . | 福州大学学报(自然科学版) , 2024 , 52 (04) , 471-478 .
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Influence of Macropore Parameters on Slope Non-uniform Flow and Stability EI CSCD PKU
期刊论文 | 2024 , 56 (3) , 122-133 | Advanced Engineering Sciences
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To investigate the influence of macropore parameters on the non-uniform migration and stability of slopes under rainfall, a solution model was developed based on the two-domain model and the stability coefficient field principle. This model addressed non-uniform flow and slope stability under rainfall infiltration. Using the COMSOL Multiphysics finite element platform, a corresponding model solving program was created. The numerical results were validated through indoor rainfall tests on macropore soil columns. A comparison was made between slope volume water content and point stability coefficient under conditions of uniform and non-uniform flow. Subsequently, the impact of macropore parameters (namely, the proportion of macropore domain ωf, the ratio of water conductivity between macropore and matrix domain μ, and the macropore empirical parameter rw) on slope seepage field and stability coefficient field was analyzed. The findings revealed that compared to scenarios without macropores, considering macropores led to a 7.7% increase in volume water content in the matrix domain and a 5.1% decrease in the macropore domain. Additionally, infiltration depth increased by 83.3% and 150.0%, respectively, and the shallow instability area of the slope expanded by 3.9%. Infiltration depth decreased with an increase in ωf for both the matrix and macropore domains. Conversely, with an increase in μ, infiltration depth decreased for the matrix domain and increased for the macropore domain. There was no significant relationship observed with the empirical parameter rw. At the end of the rainfall, volume water content in the matrix domain peaked, while the macropore domain increased with higher values of ωf and μ, showing minimal impact from the empirical parameter rw. Water exchange was categorized into negative exchange area, positive exchange area, and no exchange area along the profile. The equilibrium depth of water exchange aligned with the change in infiltration depth of the matrix domain. Both the negative and positive exchange areas exhibited peak values that decreased with higher ωf and increased with higher μ and rw values. Under varying parameter values, the slope experienced shallow instability failures. Higher values of ωf and μ corresponded to deeper instability layers and lower point stability coefficients, indicating that macropores were detrimental to slope stability. © 2024 Sichuan University. All rights reserved.

Keyword :

Infiltration Infiltration Rain Rain Slope stability Slope stability

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GB/T 7714 Que, Yun , Li, Shanghui , Zhan, Xiaojun et al. Influence of Macropore Parameters on Slope Non-uniform Flow and Stability [J]. | Advanced Engineering Sciences , 2024 , 56 (3) : 122-133 .
MLA Que, Yun et al. "Influence of Macropore Parameters on Slope Non-uniform Flow and Stability" . | Advanced Engineering Sciences 56 . 3 (2024) : 122-133 .
APA Que, Yun , Li, Shanghui , Zhan, Xiaojun , Zhang, Jisong , Xue, Bin , Xie, Xiudong . Influence of Macropore Parameters on Slope Non-uniform Flow and Stability . | Advanced Engineering Sciences , 2024 , 56 (3) , 122-133 .
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Molecular Simulation on Effect of Ionic Emulsifiers on Stability of Emulsified Asphalt EI CSCD PKU
期刊论文 | 2024 , 51 (3) , 51-58 | Journal of Hunan University Natural Sciences
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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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大孔隙参数对斜坡非均匀渗流与稳定性的影响 CSCD PKU
期刊论文 | 2024 , 56 (03) , 122-133 | 工程科学与技术
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为揭示降雨条件下大孔隙参数对斜坡水分非均匀运移与稳定性的影响,基于两域模型与稳定系数场原理,建立降雨入渗下斜坡非均匀渗流与稳定性求解模型,并借助COMSOL Multiphysics多物理场有限元平台,编制相应的模型求解程序,通过大孔隙土柱降雨试验验证数值模型的合理性,对比均匀流与非均匀流条件下斜坡体积含水率和点稳定系数,分析大孔隙参数(大孔隙占比ω_f、两域导水系数之比μ、大孔隙经验参数r_w)对斜坡渗流场及稳定系数场的影响规律。结果表明:相比不考虑大孔隙,考虑大孔隙时的基质域和大孔隙域表层体积含水率分别增长7.7%和降低5.1%,入渗深度分别增长83.3%和150.0%;边坡浅层失稳面积增大3.9%。基质域和大孔隙域入渗深度均随大孔隙占比ω_f的增大而减小;随着大孔隙域与基质域饱和渗透系数之比μ增大,两者入渗深度变化趋势相反,即μ越大,基质域入渗深度越小,大孔隙域反之;两者与经验参数r_w无显著关系。至降雨结束,基质域表层土体体积含水率已达最大值;大孔隙域则随着ω_f和μ的增大而增大,但几乎不受经验参数r_w的影响。非均匀流条件下,边坡水分交换沿着剖面从上往下分为负交换区、正交换区和无交换区,水分交换平衡深度与基质域入渗深度变化趋势一致;水分交换负交换区与正交换区的深度均存在一个峰值,并随大孔隙占比ω_f的增大而减小,随着μ和r_w的增大而增大。不同参数取值下,边坡均为浅层失稳破坏,ω_f和μ越大,失稳层深度越大,表层点稳定系数越小,因此大孔隙不利于边坡稳定。

Keyword :

入渗深度 入渗深度 大孔隙参数 大孔隙参数 水分交换 水分交换 点稳定系数 点稳定系数 非均匀流 非均匀流

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GB/T 7714 阙云 , 李尚辉 , 詹小军 et al. 大孔隙参数对斜坡非均匀渗流与稳定性的影响 [J]. | 工程科学与技术 , 2024 , 56 (03) : 122-133 .
MLA 阙云 et al. "大孔隙参数对斜坡非均匀渗流与稳定性的影响" . | 工程科学与技术 56 . 03 (2024) : 122-133 .
APA 阙云 , 李尚辉 , 詹小军 , 张吉松 , 薛斌 , 谢秀栋 . 大孔隙参数对斜坡非均匀渗流与稳定性的影响 . | 工程科学与技术 , 2024 , 56 (03) , 122-133 .
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Pore-scale permeability estimation of undisturbed granite residual soil: A comparison study by different methods SCIE
期刊论文 | 2024 | JOURNAL OF SOILS AND SEDIMENTS
WoS CC Cited Count: 2
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Purpose The macropore structure and seepage characteristics profoundly influence the stability of granite residual soil (GRS) slopes. However, accurately predicting the permeability of undisturbed GRS (U-GRS) is challenging owing to its complex and susceptible pore structure. Aims and methods Employing X-ray computed tomography (CT) technologies, a three-dimensional (3D) pore structure of U-GRS, was established. Permeability prediction for U-GRS samples was conducted using three simulation methods, namely, the pore network model (PNM), finite element method (FEM), and the lattice Boltzmann method (LBM), along with two empirical models (EMs)-specifically, Kozeny-Carman (K-C) and Katz-Thompson (K-T) models. Subsequently, the methods were comparatively analyzed for calculating efficiency and accuracy. Finally, a piecewise permeability prediction model (PPPM) for U-GRS based on the CT-LBM was proposed. Results The ranking of permeability estimation methods in terms of accuracy was as follows: LBM > PNM > FEM > EMs. Substantial disparity was observed in the permeabilities obtained using both FEM and EMs compared to other methods, which exhibited a deviation of up to six orders of magnitude. The PPPM demonstrated smaller prediction deviations than the EMs, with its accuracy influenced by the strategy for selecting calculation parameters. Conclusion The CT-LBM, which uses real pore structures, was employed to estimate the permeability of U-GRS. The PPPM, established based on this method, was found to be applicable for estimating U-GRS permeability.

Keyword :

Comparative analysis Comparative analysis Granite residual soil Granite residual soil Macropore Macropore Permeability model Permeability model X-ray computed tomography images X-ray computed tomography images

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GB/T 7714 Que, Yun , Chen, Xian , Jiang, Zhenliang et al. Pore-scale permeability estimation of undisturbed granite residual soil: A comparison study by different methods [J]. | JOURNAL OF SOILS AND SEDIMENTS , 2024 .
MLA Que, Yun et al. "Pore-scale permeability estimation of undisturbed granite residual soil: A comparison study by different methods" . | JOURNAL OF SOILS AND SEDIMENTS (2024) .
APA Que, Yun , Chen, Xian , Jiang, Zhenliang , Cai, Peichen , Xue, Bin , Xie, Xiudong . Pore-scale permeability estimation of undisturbed granite residual soil: A comparison study by different methods . | JOURNAL OF SOILS AND SEDIMENTS , 2024 .
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Characterizing the engineering properties of Marine Sand-Amended foamed lightweight Soil: Macroscopic and microscopic perspectives SCIE
期刊论文 | 2023 , 367 | CONSTRUCTION AND BUILDING MATERIALS
WoS CC Cited Count: 9
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Mixing foamed lightweight soil (FLS) with marine sand (MS) can be a sustainable approach for maximizing waste resources, although the fundamental properties (the physical performance, durability, and microstructural behaviors) of MS-mixed FLS (MS-FLS) have not been investigated, and this significantly restricts its engineering application. Thus, in this study, macroscopic and microscopic experiments are conducted to comprehensively explore the properties of MS-FLS with different MS, chloride (Cl- ), and shell contents. The results of the macroscopic tests reveal that MS-FLS exhibits a fluidity of 160-229 mm, a volumetric water-absorption rate of 13.1 %-19.5 %, and an unconfined compressive strength (UCS) of 0.95-2.64 MPa. Further, the flow of bubbles is promoted as the fluidity and water-absorption rate change, thus accumulating the bubbles with relatively large pore sizes and causing an increase in the overall relative pore size. Although the durability is reduced to varying degrees via wet cycling, freeze-thaw cycling, sulfate (SO2 - 4) erosion, and long-term outdoor exposure, most of the UCS values can still satisfy the requirement for subgrade engineering applications. Moreover, the microscopic tests indicate that the pore size increases with the increasing MS content, whereas the pore-wall thickness, cement density, mechanical properties, and durability decrease. As the shell content increases, the UCS and durability decrease considerably owing to the smooth, surface-induced weak points and low water-absorption capacity of the shells; however, the UCS can still satisfy engineering requirements. Finally, the increased Clcontent can improve the SO2 - 4 resistance due to the generated Friedel's salt, which fills the micropores in cement-hydration products, and this facilitates strengthening. Therefore, the UCS values of most MS-FLS specimens are > 0.3 MPa before and after the durability tests, revealing their promise for subgrade engineering applications.

Keyword :

Durability Durability Foamed lightweight soil Foamed lightweight soil Marine sand Marine sand Microstructure Microstructure Sulfate erosion Sulfate erosion

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GB/T 7714 Que, Yun , Chen, Xian , Zhu, Tengjie et al. Characterizing the engineering properties of Marine Sand-Amended foamed lightweight Soil: Macroscopic and microscopic perspectives [J]. | CONSTRUCTION AND BUILDING MATERIALS , 2023 , 367 .
MLA Que, Yun et al. "Characterizing the engineering properties of Marine Sand-Amended foamed lightweight Soil: Macroscopic and microscopic perspectives" . | CONSTRUCTION AND BUILDING MATERIALS 367 (2023) .
APA Que, Yun , Chen, Xian , Zhu, Tengjie , Zhang, Hongyang , Huang, Weifeng , Jiang, Zhenliang et al. Characterizing the engineering properties of Marine Sand-Amended foamed lightweight Soil: Macroscopic and microscopic perspectives . | CONSTRUCTION AND BUILDING MATERIALS , 2023 , 367 .
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沥青路面材料的颗粒物质视域:理论、方法与进展 CSCD PKU
期刊论文 | 2023 , 36 (08) , 121-136 | 中国公路学报
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Abstract :

沥青混合料是一种集料颗粒占体积主导并同时表现出明显时温依赖性的颗粒路面材料,从颗粒物质角度认识和理解沥青混合料,是接近和阐释沥青混合料物质属性和行为特性的根本基础。该文旨在基于非晶物质及其玻璃化转变、Jamming转变模型和颗粒物质理论,揭示沥青路面材料的颗粒物质属性。介绍了颗粒路面材料的概念和内涵,阐释了沥青混合料的颗粒物质属性,综述了颗粒路面材料的研究进展,凝练了颗粒路面材料的四大基本特征(几何特征、堆积特征、界面特征和流变特征),并讨论了颗粒路面材料的未来发展方向。结果表明:可以尝试从非晶物质的角度研究沥青在沥青混合料中的行为特性及其对整个系统发挥的作用;对非晶物质的研究宜从多尺度展开并能将不同尺度间关联起来。进一步研究中,还需从时间和空间2个维度剖析沥青混合料Jamming过程中细观结构演化规律,理解沥青混合料流变学行为;从颗粒和尺度的角度,阐释沥青混合料的稳定堆积条件和高效堆积方法,揭示不同工况下沥青混合料Jamming的触变机制;研究不同温度、填充密度和受力模式等条件下沥青混合料的流变过程,建立涵盖实际道路使用条件范围的沥青混合料Jamming相图。

Keyword :

Jamming相图 Jamming相图 多尺度 多尺度 流变 流变 综述 综述 路面工程 路面工程 非晶物质 非晶物质 颗粒路面材料 颗粒路面材料

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GB/T 7714 裴建中 , 樊泽鹏 , 薛斌 et al. 沥青路面材料的颗粒物质视域:理论、方法与进展 [J]. | 中国公路学报 , 2023 , 36 (08) : 121-136 .
MLA 裴建中 et al. "沥青路面材料的颗粒物质视域:理论、方法与进展" . | 中国公路学报 36 . 08 (2023) : 121-136 .
APA 裴建中 , 樊泽鹏 , 薛斌 , 王鹏志 , 辛寄语 . 沥青路面材料的颗粒物质视域:理论、方法与进展 . | 中国公路学报 , 2023 , 36 (08) , 121-136 .
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