Interatomic potentials approximate the potential energy of atoms as a function of their
coordinates. Their main application is the effective simulation of many-atom systems. Here …

Elucidating the complex interactions between the work material and abrasives during
grinding of gallium nitride (GaN) single crystals is an active and challenging research area …

A common misconception is that the irradiation of solids with energetic electrons and ions
has exclusively detrimental effects on the properties of target materials. In addition to the …

Gallium‐based liquid metal (LM) composite with metallic fillers is an emerging class of
thermal interface materials (TIMs), which are widely applied in electronics and power …

We present an analytical bond-order potential for silicon, carbon, and silicon carbide that
has been optimized by a systematic fitting scheme. The functional form is adopted from a …

Recent theory has found that native defects such as the O vacancy VO and Zn interstitial Zn I
have high formation energies in n-type ZnO and, thus, are not important donors, especially …

The interaction of fusion reactor plasma with the material of the first wall involves a complex
multitude of interlinked physical and chemical effects. Hence, modern theoretical treatment …

Size‐dependent lattice expansion of nanoparticles is observed for many ionic compounds,
including metal oxides, while lattice contraction prevails for pure metals. However, the …

A reactive interatomic potential based on an analytical bond-order scheme is developed for
the ternary system W–C–H. The model combines Brenner's hydrocarbon potential with …

Molecular dynamics simulations are carried out to investigate the nano abrasive machining
of monocrystalline gallium nitride (GaN). Effects of the cutting velocity, depth of cut (DOC) …