Discussion on molecular dynamics (MD) simulations of the asphalt materials

Influence of epoxy soybean oil modified nano-silica on the compatibility of cold-mixed epoxy asphalt

(2021) Gongying Ding et al.   MATERIALS AND STRUCTURES

Revealing compatibility mechanism of nanosilica in asphalt through molecular dynamics simulation

(2021) Zhengwu Long et al.   JOURNAL OF MOLECULAR MODELING

Generation and properties of the new asphalt binder model using molecular dynamics (MD)

(2021) Hui Yao et al.   Scientific Reports

Dynamic chemistry based self-healing of asphalt modified by diselenide-crosslinked polyurethane elastomer

(2021) Lei Lyu et al.   CONSTRUCTION AND BUILDING MATERIALS

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

A Multiphysics Evaluation of the Rejuvenator Effects on Aged Asphalt Using Molecular Dynamics Simulations

(2020) Bingyan Cui et al.   JOURNAL OF CLEANER PRODUCTION

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

(2020) Wei Sun et al.   APPLIED SURFACE SCIENCE

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

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

(2020) Lei Luo et al.   APPLIED SURFACE SCIENCE

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

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

Experimental and molecular dynamics simulation study on thermal, transport, and rheological properties of asphalt

(2020) Lingyun You et al.   CONSTRUCTION AND BUILDING MATERIALS

Comprehensive analysis of the environmental impact of electric arc furnace steel slag on asphalt mixtures

(2020) Lizasoain-Arteaga Esther et al.   JOURNAL OF CLEANER PRODUCTION

An improved chemical system for molecular simulations of asphalt

(2019) Meng Xu et al.   ENERGY & FUELS

Characteristics of steel slag filler and its influence on rheological properties of asphalt mortar

(2019) Guanyu Tao et al.   CONSTRUCTION AND BUILDING MATERIALS

sGDML: Constructing accurate and data efficient molecular force fields using machine learning

(2019) Stefan Chmiela et al.   COMPUTER PHYSICS COMMUNICATIONS

Evaluation of contact angle between asphalt binders and aggregates using Molecular Dynamics (MD) method

(2019) Hui Yao et al.   CONSTRUCTION AND BUILDING MATERIALS

Molecular dynamics study on the glass forming process of asphalt

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

Molecular dynamics simulation of diffusion coefficients between different types of rejuvenator and aged asphalt binder

(2019) Wei Sun et al.   International Journal of Pavement 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

Study on the Mechanical Properties of Rubber Asphalt by Molecular Dynamics Simulation

(2019) Fucheng Guo et al.   JOURNAL OF MOLECULAR MODELING

Molecular dynamics study on influence of Nano-ZnO/SBS on physical properties and molecular structure of asphalt binder

(2019) Manman Su et al.   FUEL

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

(2018) Daquan Sun et al.   FUEL

Molecular dynamics study of oxidative aging effect on asphalt binder properties

(2017) Guangji Xu et al.   FUEL

Genome-inspired molecular identification in organic matter via Raman spectroscopy

(2016) Yun Liu et al.   CARBON

Indices for self-healing performance assessments based on molecular dynamics simulation of asphalt binders

(2016) Daquan Sun et al.   COMPUTATIONAL MATERIALS SCIENCE

A simple treatment of electronic-waste plastics to produce asphalt binder additives with improved properties

(2016) Mohd Rosli Mohd Hasan et al.   CONSTRUCTION AND BUILDING MATERIALS

Use of molecular dynamics to investigate diffusion between virgin and aged asphalt binders

(2016) Yongjie Ding et al.   FUEL

Molecular dynamics simulation of physicochemical properties of the asphalt model

(2016) Hui Yao et al.   FUEL

Machine Learning Force Fields: Construction, Validation, and Outlook

(2016) V. Botu et al.   Journal of Physical Chemistry C

Model molecules mimicking asphaltenes

(2015) Johan Sjöblom et al.   ADVANCES IN COLLOID AND INTERFACE SCIENCE

The evaluation of the field performance of the neat and SBS modified hot mixture asphalt

(2015) Ahmet Sertac Karakas et al.   CONSTRUCTION AND BUILDING MATERIALS

Fourier Transform Infrared Spectroscopy characterization of aging-related properties of original and nano-modified asphalt binders

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

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

Phase equilibrium calculations with quasi-Newton methods

(2015) Dan Vladimir Nichita et al.   FLUID PHASE EQUILIBRIA

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

Investigation of asphalt aging behaviour due to oxidation using molecular dynamics simulation

(2015) Jielin Pan et al.   MOLECULAR SIMULATION

Molecular Dynamics Investigation on the Aggregation of Violanthrone78-Based Model Asphaltenes in Toluene

(2014) Cuiying Jian et al.   ENERGY & FUELS

Investigation of induction healing effects on electrically conductive asphalt mastic and asphalt concrete beams through fracture-healing tests

(2013) Qingli Dai et al.   CONSTRUCTION AND BUILDING MATERIALS

Recycling of waste tire rubber in asphalt and portland cement concrete: An overview

(2013) Xiang Shu et al.   CONSTRUCTION AND BUILDING MATERIALS

Probing the Effect of Side-Chain Length on the Aggregation of a Model Asphaltene Using Molecular Dynamics Simulations

(2013) Cuiying Jian et al.   ENERGY & FUELS

Molecular Dynamics Simulations of Asphaltenes at the Oil–Water Interface: From Nanoaggregation to Thin-Film Formation

(2013) Yohei Mikami et al.   ENERGY & FUELS

Chemical compositions of improved model asphalt systems for molecular simulations

(2013) Derek D. Li et al.   FUEL

Cooee bitumen: Chemical aging

(2013) Claire A. Lemarchand et al.   JOURNAL OF CHEMICAL PHYSICS

Evaluation of Asphalt Blended With Low Percentage of Carbon Micro-Fiber and Nanoclay

(2013) Hui Yao et al.   JOURNAL OF TESTING AND EVALUATION

Microstructure and fracture morphology of carbon nano-fiber modified asphalt and hot mix asphalt mixtures

(2013) Mohammad J. Khattak et al.   MATERIALS AND STRUCTURES

A first-principles based chemophysical environment for studying lignins as an asphalt antioxidant

(2012) Tongyan Pan   CONSTRUCTION AND BUILDING MATERIALS

Performance of asphalt binder blended with non-modified and polymer-modified nanoclay

(2012) Hui Yao et al.   CONSTRUCTION AND BUILDING MATERIALS

Characterization of carbon nano-fiber modified hot mix asphalt mixtures

(2012) Mohammad Jamal Khattak et al.   CONSTRUCTION AND BUILDING MATERIALS

Rheological properties and chemical analysis of nanoclay and carbon microfiber modified asphalt with Fourier transform infrared spectroscopy

(2012) Hui Yao et al.   CONSTRUCTION AND BUILDING MATERIALS

Properties of Modified Asphalt Binders Blended with Electronic Waste Powders

(2012) Baron W. Colbert et al.   JOURNAL OF MATERIALS IN CIVIL ENGINEERING

Rheological Properties and Chemical Bonding of Asphalt Modified with Nanosilica

(2012) Hui Yao et al.   JOURNAL OF MATERIALS IN CIVIL ENGINEERING

Soot and char molecular representations generated directly from HRTEM lattice fringe images using Fringe3D

(2011) Victor Fernandez-Alos et al.   COMBUSTION AND FLAME

Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field

(2011) Fidel Castro-Marcano et al.   COMBUSTION AND FLAME

Laboratory evaluation on high temperature viscosity and low temperature stiffness of asphalt binder with high percent scrap tire rubber

(2011) Hainian Wang et al.   CONSTRUCTION AND BUILDING MATERIALS

Molecular Dynamic Simulations for Determining Change in Thermodynamic Properties of Asphaltene and Resin Because of Aging

(2011) Rafiqul A. Tarefder et al.   ENERGY & FUELS

Review of advances in understanding impacts of mix composition characteristics on asphalt concrete (AC) mechanics

(2011) Yu Liu et al.   International Journal of Pavement Engineering

Moisture Susceptibility of Warm-Mix Asphalt Mixtures Containing Nanosized Hydrated Lime

(2011) Jianchuan Cheng et al.   JOURNAL OF MATERIALS IN CIVIL ENGINEERING

Evaluation of Low-Temperature Binder Properties of Warm-Mix Asphalt, Extracted and Recovered RAP and RAS, and Bioasphalt

(2011) Zhanping You et al.   JOURNAL OF MATERIALS IN CIVIL ENGINEERING

Using waste plastic bottles as additive for stone mastic asphalt

(2011) Esmaeil Ahmadinia et al.   MATERIALS & DESIGN

Nanoclay-modified asphalt materials: Preparation and characterization

(2010) Zhanping You et al.   CONSTRUCTION AND BUILDING MATERIALS

Two- and three-dimensional micromechanical viscoelastic finite element modeling of stone-based materials with X-ray computed tomography images

(2010) Qingli Dai   CONSTRUCTION AND BUILDING MATERIALS

The Modified Yen Model†

(2010) Oliver C. Mullins   ENERGY & FUELS

Nanoscale modelling of mechanical properties of asphalt–aggregate interface under tensile loading

(2010) Yang Lu et al.   International Journal of Pavement Engineering

Fragile-to-strong transition in metallic glass-forming liquids

(2010) Chunzhi Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Use of Molecular Dynamics to Investigate Self-Healing Mechanisms in Asphalt Binders

(2010) Amit Bhasin et al.   JOURNAL OF MATERIALS IN CIVIL ENGINEERING

Mechanistic analysis of ST and SBS-modified flexible pavements

(2009) A.I. Al-Hadidy et al.   CONSTRUCTION AND BUILDING MATERIALS

Aggregation and Partitioning of Model Asphaltenes at Toluene−Water Interfaces: Molecular Dynamics Simulations

(2009) Tetyana Kuznicki et al.   ENERGY & FUELS

Experimental study of fibers in stabilizing and reinforcing asphalt binder

(2009) Huaxin Chen et al.   FUEL

Viscoelastic Model for Discrete Element Simulation of Asphalt Mixtures

(2009) Yu Liu et al.   JOURNAL OF ENGINEERING MECHANICS

Thermal Decomposition of Hydrazines from Reactive Dynamics Using the ReaxFF Reactive Force Field

(2009) Luzheng Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Asphalt modification with used lubricating oil

(2008) Aaron Villanueva et al.   CANADIAN JOURNAL OF CIVIL ENGINEERING

Laboratory investigation of indirect tensile strength using roofing polyester waste fibers in hot mix asphalt

(2008) Kalia Anurag et al.   CONSTRUCTION AND BUILDING MATERIALS

Molecular Dynamics Study of Model Molecules Resembling Asphaltene-Like Structures in Aqueous Organic Solvent Systems

(2008) Tetyana Kuznicki et al.   ENERGY & FUELS

Effects of Polymer Modification on Properties and Microstructure of Model Asphalt Systems

(2008) Liqun Zhang et al.   ENERGY & FUELS

Optimization methods for finding minimum energy paths

(2008) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Genotoxic effects of fumes from asphalt modified with waste plastic and tall oil pitch

(2008) Hanna K. Lindberg et al.   MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS

Geometry and excitation energy fluctuations of NMA in aqueous solution with CHARMM, AMBER, OPLS, and GROMOS force fields: Implications for protein ultraviolet spectra simulation

(2007) Zhenyu Li et al.   CHEMICAL PHYSICS LETTERS