Asphalt materials are uneven and complex organic matter, and the properties of asphalt–
aggregate interfaces are also complex. This makes it difficult for researchers to understand …

Molecular dynamics (MD) simulation plays an effective role in predicting the critical
properties and explaining the macroscale phenomenon at the nanoscale. This review …

The Martini model, a coarse‐grained force field initially developed with biomolecular
simulations in mind, has found an increasing number of applications in the field of soft …

Examining the intricate relationship between micro-components and macro-performance
represents a pivotal focus within asphalt materials research. This review offers a …

Asphalt binder modified by styrene butadiene styrene (SBS) has been widely used for
improving pavement quality. However, compatibility issues between asphalt and SBS …

This study aims to develop molecular model of asphalt binder and investigate the
reasonable simulation scale of molecular dynamics (MD) in researching the viscosity …

During the last few decades, industrial waste has increased at an alarming rate, and the
recycling of waste materials has always been an urgent problem to be solved. While the …

To better design and application of hard asphalt, the conventional properties tests, SARA
composition experiments, 1 H NMR experiments, and elemental analysis were carried out …

Asphalt-basalt fiber interface models were established based on molecular dynamics to
explore the microscopic bond characteristics between basalt fiber and asphalt. The …

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 …