Influence of sea salt on the interfacial adhesion of bitumen–aggregate systems by molecular dynamics simulation

Influence of silane-hydrolysate coupling agents on bitumen–aggregate interfacial adhesion: an exploration from molecular dynamics simulation

(2021) Chao Peng et al.   INTERNATIONAL JOURNAL OF ADHESION AND ADHESIVES

Method for Evaluating Compatibility between SBS Modifier and Asphalt Matrix Using Molecular Dynamics Models

(2021) Chixuan Li et al.   JOURNAL OF MATERIALS IN CIVIL ENGINEERING

Assessment of automatic induction self-healing treatment applied to steel deck asphalt pavement

(2021) Kai Liu et al.   AUTOMATION IN CONSTRUCTION

Molecular dynamics simulation of the interfacial wetting behavior of brine/sandstone with different salinities

(2021) Tao Yu et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

3D Spectral element model with a space-decoupling technique for the response of transversely isotropic pavements to moving vehicular loading

(2021) Jianhong Man et al.   Road Materials and Pavement Design

Multiscale Investigation of Moisture-induced Structural Evolution in Asphalt–Aggregate Interface and Analysis of the Relevant Chemical Relationship by Using Atomic Force Microscopy and Molecular Dynamics

(2020) Zhiyang Liu et al.   ENERGY & FUELS

Modeling the Oxidative Aging Kinetics and Pathways of Asphalt: A ReaxFF Molecular Dynamics Study

(2020) Dongliang Hu et al.   ENERGY & FUELS

Moisture effect on nanostructure and adhesion energy of asphalt on aggregate surface: A molecular dynamics study

(2020) Wei Sun et al.   APPLIED SURFACE SCIENCE

Study on interfacial debonding between bitumen and aggregate based on micromechanical damage model

(2020) Zepeng Fan et al.   International Journal of Pavement Engineering

Quantitative comparison of surface and interface adhesive properties of fine aggregate asphalt mixtures composed of basalt, steel slag, and andesite

(2020) Xinxing Zhou et al.   CONSTRUCTION AND BUILDING MATERIALS

Effects of aggregate type and SBS copolymer on the interfacial heat transport ability of asphalt mixture using molecular dynamics simulation

(2020) Han-Cheng Dan et al.   CONSTRUCTION AND BUILDING MATERIALS

Investigating the interaction behavior between asphalt binder and rubber in rubber asphalt by molecular dynamics simulation

(2020) Fucheng Guo et al.   CONSTRUCTION AND BUILDING MATERIALS

Interaction of asphalt and water between porous asphalt pavement voids with different aging stage and its significance to drainage

(2020) Tengjiang Yu et al.   CONSTRUCTION AND BUILDING MATERIALS

The Attraction of Water for Itself at Hydrophobic Quartz Interfaces

(2020) Quinn A. Besford et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular dynamics analysis of moisture effect on asphalt-aggregate adhesion considering anisotropic mineral surfaces

(2020) Lei Luo et al.   APPLIED SURFACE SCIENCE

Analysis of interfacial adhesion properties of nano-silica modified asphalt mixtures using molecular dynamics simulation

(2020) Zhengwu Long et al.   CONSTRUCTION AND BUILDING MATERIALS

Molecular dynamics simulation of distribution and adhesion of asphalt components on steel slag

(2020) Jinzhou Liu et al.   CONSTRUCTION AND BUILDING MATERIALS

Analysis and Comparison of Different Impacts of Aging and Loading Frequency on Fatigue Characterization of Asphalt Concrete

(2020) Chaochao Liu et al.   JOURNAL OF MATERIALS IN CIVIL ENGINEERING

COMPASS III: automated fitting workflows and extension to ionic liquids

(2020) Reinier L. C. Akkermans et al.   MOLECULAR SIMULATION

Performance evaluation of asphalt mixture exposed to dynamic water and chlorine salt erosion

(2019) Rui Xiong et al.   CONSTRUCTION AND BUILDING MATERIALS

Experimental investigation on bonding property of asphalt-aggregate interface under the actions of salt immersion and freeze-thaw cycles

(2019) Qinglin Guo et al.   CONSTRUCTION AND BUILDING MATERIALS

Active Mineral Fillers Arrest Migrations of Alkane Acids to the Interface of Bitumen and Siliceous Surfaces

(2019) Elham H. Fini et al.   ACS Sustainable Chemistry & Engineering

Molecular dynamics investigation of interfacial adhesion between oxidised bitumen and mineral surfaces

(2019) Yangming Gao et al.   APPLIED SURFACE SCIENCE

Molecular dynamics study on the glass forming process of asphalt

(2019) Yang Kang et al.   CONSTRUCTION AND BUILDING MATERIALS

Density Functional Theory Study of Water Molecule Adsorption on the α-Quartz (001) Surface with and without the Presence of Na+, Mg2+, and Ca2+

(2019) Chunfu Liu et al.   ACS Omega

Multiscale Evaluation of Synergistic and Antagonistic Interactions between Bitumen Modifiers

(2019) Masoumeh Mousavi et al.   ACS Sustainable Chemistry & Engineering

Effects of aggregate mineral surface anisotropy on asphalt-aggregate interfacial bonding using molecular dynamics (MD) simulation

(2019) L. Chu et al.   CONSTRUCTION AND BUILDING MATERIALS

Investigation of the Microcharacteristics of Asphalt Mastics under Dry–Wet and Freeze–Thaw Cycles in a Coastal Salt Environment

(2019) Qinling Zhang et al.   Materials

Comparison of CHARMM and OPLS-aa forcefield predictions for components in one model asphalt mixture

(2019) Kolawole Sonibare et al.   CONSTRUCTION AND BUILDING MATERIALS

Using the surface free energy (SFE) method to investigate the effects of additives on moisture susceptibility of asphalt mixtures

(2019) Derun Zhang et al.   INTERNATIONAL JOURNAL OF ADHESION AND ADHESIVES

Asphalt binder micro-characterization and testing approaches: A review

(2019) Mengya Zhang et al.   MEASUREMENT

Modulus simulation of asphalt binder models using Molecular Dynamics (MD) method

(2018) Hui Yao et al.   CONSTRUCTION AND BUILDING MATERIALS

Intrinsic temperature sensitive self-healing character of asphalt binders based on molecular dynamics simulations

(2018) Daquan Sun et al.   FUEL

The effect of using anti-stripping additives on moisture damage of hot mix asphalt

(2018) Gh.H. Hamedi et al.   INTERNATIONAL JOURNAL OF ADHESION AND ADHESIVES

Performance characteristics of asphalt materials based on molecular dynamics simulation – A review

(2018) Zixuan Chen et al.   CONSTRUCTION AND BUILDING MATERIALS

Examining the Implications of Wax-Based Additives on the Sustainability of Construction Practices: Multiscale Characterization of Wax-Doped Aged Asphalt Binder

(2018) Alireza Samieadel et al.   ACS Sustainable Chemistry & Engineering

Molecular dynamics modeling and simulation of bituminous binder chemical aging due to variation of oxidation level and saturate-aromatic-resin-asphaltene fraction

(2018) Farshad Fallah et al.   FUEL

Nanostructure characterization of asphalt-aggregate interface through molecular dynamics simulation and atomic force microscopy

(2017) Zejiao Dong et al.   FUEL

Diffusion characteristics of asphalt rejuvenators based on molecular dynamics simulation

(2017) Meng Xu et al.   International Journal of Pavement Engineering

Polymers for asphaltene dispersion: Interaction mechanisms and molecular design considerations

(2017) Evan Lowry et al.   JOURNAL OF MOLECULAR LIQUIDS

Experimental and Molecular Modeling Evaluation of the Physicochemical Properties of Proline-Based Deep Eutectic Solvents

(2017) Adriaan van den Bruinhorst et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Evaluation of thermo-mechanical properties of graphene/carbon-nanotubes modified asphalt with molecular simulation

(2017) Xinxing Zhou et al.   MOLECULAR SIMULATION

Analysis of Adhesive Characteristics of Asphalt Based on Atomic Force Microscopy and Molecular Dynamics Simulation

(2016) Meng Xu et al.   ACS Applied Materials & Interfaces

Molecular dynamics study of interfacial mechanical behavior between asphalt binder and mineral aggregate

(2016) Guangji Xu et al.   CONSTRUCTION AND BUILDING MATERIALS

Molecular dynamics simulation of physicochemical properties of the asphalt model

(2016) Hui Yao et al.   FUEL

COMPASS II: extended coverage for polymer and drug-like molecule databases

(2016) Huai Sun et al.   JOURNAL OF MOLECULAR MODELING

Chemo-physical analysis and molecular dynamics (MD) simulation of moisture susceptibility of nano hydrated lime modified asphalt mixtures

(2015) Hui Yao et al.   CONSTRUCTION AND BUILDING MATERIALS

Investigating the Interactions of the Saturate, Aromatic, Resin, and Asphaltene Four Fractions in Asphalt Binders by Molecular Simulations

(2015) Peng Wang et al.   ENERGY & FUELS

Molecular dynamics simulation of asphalt-aggregate interface adhesion strength with moisture effect

(2015) Hao Wang et al.   International Journal of Pavement Engineering

Glass Transition and Molecular Mobility in Styrene–Butadiene Rubber Modified Asphalt

(2015) Fardin Khabaz et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution

(2014) Fateme S. Emami et al.   CHEMISTRY OF MATERIALS

Viscosity, relaxation time, and dynamics within a model asphalt of larger molecules

(2014) Derek D. Li et al.   JOURNAL OF CHEMICAL PHYSICS

Using surface free energy method to study the cohesion and adhesion of asphalt mastic

(2013) Yiqiu Tan et al.   CONSTRUCTION AND BUILDING MATERIALS

Chemical compositions of improved model asphalt systems for molecular simulations

(2013) Derek D. Li et al.   FUEL

Examination of moisture sensitivity of aggregate–bitumen bonding strength using loose asphalt mixture and physico-chemical surface energy property tests

(2013) Yawen Liu et al.   International Journal of Pavement Engineering

Interfacial thickness and interaction between asphalt and mineral fillers

(2013) Yiqiu Tan et al.   MATERIALS AND STRUCTURES

Assessment of the effect of mineral filler on asphalt–aggregate interfaces based on thermodynamic properties

(2011) Allex E. Alvarez et al.   CONSTRUCTION AND BUILDING MATERIALS

Fast analysis of molecular dynamics trajectories with graphics processing units—Radial distribution function histogramming

(2011) Benjamin G. Levine et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Nanoscale Evaluation of Moisture Damage in Polymer Modified Asphalts

(2009) Rafiqul A. Tarefder et al.   JOURNAL OF MATERIALS IN CIVIL ENGINEERING

Modelling of combined physical–mechanical moisture-induced damage in asphaltic mixes Part 2: moisture susceptibility parameters

(2008) N. Kringos et al.   International Journal of Pavement Engineering