Micro diamond tools are indispensable for the efficient machining of microstructured
surfaces. The precision in tool manufacturing and cutting performance directly determines …

High-throughput and high-accuracy nanofabrication methods are required for the ever-
increasing demand for nanoelectronics, high-density data storage devices, nanophotonics …

Micro-structured surfaces possess excellent properties of friction, lubrication, drag reduction,
antibacterial, and self-cleaning, which have been widely applied in optical, medical, national …

The grinding process involves a complicated superposition process of surface scratches, but
its atomic mechanism is still unclear. In this work, the molecular dynamics (MD) simulations …

High-entropy alloy nanoparticles can significantly enhance catalytic hydrogen production as
a low-cost electrocatalyst and may potentially play an important role in the development of …

Ice accretion on surfaces is a major economic concern in the energy and transportation
industries, particularly due to the need of frequent maintenance. In contrast to the traditional …

Micro/nano hierarchical structures could endow materials with various surface functions.
However, the multilayer and multiscale characteristics of micro/nano hierarchical structures …

Multi-tip diamond (MTD) tools have remarkable advantages in scratching micro-nano
structures. A key component of inertial confinement fusion is a glass capsule with a periodic …

Periodic nanostructures have been widely used in many fields, such as optics, biomedical,
and superhydrophobic surface, which has drawn increasing attention in the last few years. It …

This book chapter is aimed at introducing the recent advances in the field of high-
performance molecular dynamics simulation to study contact loading processes such as …