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Gao, Y. (author), Liu, X. (author), Ren, S. (author), Assaf Martinez-Streignard, E.I. (author), Liu, Pengfei (author), Zhang, Yuqing (author)
Bitumen fatigue resistance is critical to determine the overall fatigue performance and service life of asphalt pavements. However, the mechanisms responsible for fatigue damage of bitumen have previously not been well understood. Molecular dynamics (MD) simulation has recently emerged as a powerful computer-aided numerical technique to model...
journal article 2024
document
Assaf Martinez-Streignard, E.I. (author), Liu, X. (author), Lin, P. (author), Erkens, S. (author)
This paper presents a United Atom (UA) force field for simulating hydrocarbon molecules in bituminous materials, integrating explicit hydrogens into beads with their parent atom. This method simplifies all-atom molecular models, significantly accelerating Molecular Dynamics (MD) simulations of bitumen by 10 to 100 times. Key advantages...
journal article 2024
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Assaf Martinez-Streignard, E.I. (author), Liu, X. (author), Lin, P. (author), Erkens, S. (author), Nahar, Sayeda (author), Mensink, Liz I.S. (author)
Conventional Molecular Dynamics (MD) models of bitumen are built by homogeneously mixing molecules in a volume without considering that the molecules in bitumen are known to exhibit phase behavior and form distinctive molecular arrangements. These are known to have a significant impact in the behavior of bitumen, and considering their...
journal article 2023
document
Ren, S. (author), Liu, X. (author), Lin, P. (author), Gao, Y. (author), Erkens, S. (author)
Molecular dynamics (MD) simulation plays an effective role in predicting the critical properties and explaining the macroscale phenomenon at the nanoscale. This review summarized the application cases of MD simulations in various bitumen systems, considering aging, modification, and rejuvenation factors. Meanwhile, the potential relationships...
review 2022
document
Gao, Y. (author), Zhang, Yuqing (author), Zhang, Chao (author), Liu, X. (author), Jing, R. (author)
Bitumen in asphalt pavements reacts slowly with atmospheric oxygen, resulting in oxidative ageing. This oxidative reaction is strongly dependent on the physical diffusion of the oxygen into the bitumen. This study aims to use molecular dynamics (MD) simulation to investigate the oxygen diffusion into the bitumen film and analyse the effects...
journal article 2022
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Jing, R. (author), Apostolidis, P. (author), Liu, X. (author), Naus, Robbert (author), Erkens, S. (author), Scarpas, Athanasios (author)
The rejuvenation of epoxy modified bituminous binders is a topic of much debate because such binders may not be able to melt at high temperatures and restore their properties using recycling agents. This paper presents the results of an experimental program developed to evaluate the re-usability of an epoxy modified bitumen, or epoxy bitumen, by...
journal article 2021
document
Wang, H. (author), Liu, X. (author), Apostolidis, P. (author), Wang, Di (author), Leng, Zhen (author), Lu, Guoyang (author), Erkens, S. (author), Scarpas, Athanasios (author)
Rubberized asphaltic materials have been frequently combined with warm-mix asphalt technologies to tackle the issues of high energy consumptions and emissions during construction. Effective and accurate characterization of binder properties is conducive to the improvement of long-term pavement performance. The current study aims to quantify...
journal article 2021
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Ren, S. (author), Liu, X. (author), Lin, P. (author), Erkens, S. (author), Xiao, Yue (author)
To further explore the long-term aging behaviors of bitumen from the multiscale perspectives, the experimental characterization and molecular dynamics (MD) simulation methods were performed. Series of chemical properties for the virgin and various aged bitumen were evaluated using the TCL-FID, ATR-FTIR, Elemental analysis and GPC tests. The...
journal article 2021
document
Ren, S. (author), Liu, X. (author), Zhang, Y. (author), Lin, P. (author), Apostolidis, P. (author), Erkens, S. (author), Li, Mingliang (author), Xu, Jian (author)
Lignin, as a major waste from biofuel and paper industries, could be utilized as a modifier to enhance the relevant performance of bitumen. However, the effects of lignin on the thermodynamics properties and molecular structure of bitumen are rarely studied. Meanwhile, the potential modification mechanism of lignin modified bitumen is still...
journal article 2021
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Apostolidis, P. (author), Liu, X. (author), Erkens, S. (author), Scarpas, Athanasios (author)
Asphalt binders incorporating different modifiers is a common practice but empirically driven in most of the cases. Therefore, the fundamental understanding of modification mechanisms in asphalt binders is needed to design polymer modified binders in a controllable manner, especially today in which new modification technologies are proposed....
journal article 2020
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Apostolidis, P. (author), Liu, X. (author), Erkens, S. (author), Scarpas, Athanasios (author)
This work presents an experimental program developed to evaluate the effect of epoxy-asphalt binder, used as replacement of bitumen, on the durability and fatigue life of an asphalt concrete mix. The use of epoxy-type binder as tack coat has been explored as well and thus experiments have been conducted to quantify the effect of epoxy tack coat...
journal article 2020
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Apostolidis, P. (author), Liu, X. (author), Marocho, Paul (author), van de Ven, Martin (author), Erkens, S. (author), Scarpas, Athanasios (author)
In-depth understanding of the synergetic effect between the various incorporating constituents in asphalt binders (e.g., polymers, fillers) is needed to design durable paving materials with desired properties. In this research, the focus was first on the effect of the reactivity of fillers on the evolution of adhesive strength between stone...
journal article 2020
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Apostolidis, P. (author), Liu, X. (author), Erkens, S. (author), Scarpas, Athanasios (author)
In epoxy-bitumen systems, temperature contributes to the development of physiochemical and mechanical characteristics during curing (chemical hardening) and at the long-term service (oxidative aging) of pavement structures. Hardening (i.e., chemical or oxidative controlled) is a complex phenomenon in epoxy-modified binders and the in-depth...
journal article 2019
document
Jing, R. (author), Varveri, Aikaterini (author), Liu, X. (author), Scarpas, Athanasios (author), Erkens, S. (author)
Bitumen ageing has a significant impact on the mechanical performance of asphalt concrete. This study utilises dynamic mechanical tests (frequency sweep, fatigue, and relaxation) to investigate the effect of ageing on the viscoelastic characteristics of bitumen. As ageing progressed, a shift of the Black diagrams curves towards lower phase...
journal article 2019
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Jing, R. (author), Varveri, Aikaterini (author), Liu, X. (author), Scarpas, Athanasios (author), Erkens, S. (author)
Ageing has a significant impact on the chemical and mechanical behavior of bituminous materials. In this study, Fourier Transform Infrared (FTIR) spectrometer and Dynamic Shear Rheometer (DSR) tests were utilized to investigate the effect of ageing on the chemical and mechanical properties of bitumen. Bitumen films with thickness of 2 mm were...
book chapter 2019
document
Wang, H. (author), Liu, X. (author), Apostolidis, P. (author), Scarpas, Athanasios (author)
Crumb rubber-modified bitumen (CRMB) has been utilized in the asphalt paving industry for decades due to its various benefits. The complex interaction between bitumen and crumb rubber as well as the addition of warm-mix additives makes the typical laws of Newtonian fluids insufficient to describe the behaviors of highly modified bituminous...
journal article 2018
document
Liu, G. (author)
Montmorillonite (Mt) nanoclay is a layered silicate mineral with a 2:1-type layer structure, two tetrahedrals sandwiching one octahedral. In recent decades, it is successfully introduced into polymer systems to form polymer-clay nanocomposites (PCN) in which the silicate layers of the Mt are randomly and homogeneously dispersed at a molecular...
doctoral thesis 2011
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