Applications of nanowires into future generation nanodevices require a complete
understanding of the mechanical properties of the nanowires. A great research effort has …

Abstract 3D monoliths have undergone great progress in the past decades in scientific and
engineering fields. Especially, compressible and elastic 3D monoliths (CEMs) hold great …

Though extensively studied, hardness, defined as the resistance of a material to
deformation, still remains a challenging issue for a formal theoretical description due to its …

The Young's modulus, strength, and toughness of nanostructures are important to proposed
applications ranging from nanocomposites to probe microscopy, yet there is little direct …

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 …

We have studied systematically the chemical trends of the band-gap pressure coefficients of
all group IV, III-V, and II-VI semiconductors using first-principles band-structure method. We …

The results of first-principles full-potential linear muffin-tin orbital calculations of the elastic
constants and related structural and electronic properties of BN, AlN, GaN, and InN in both …

The local spin-density approximation (LSDA) and the generalized gradient approximation
(GGA) of Perdew, Burke, and Ernzerhof (PBE) are fully non-empirical realizations of the first …

An effective interatomic interaction potential for SiC is proposed. The potential consists of
two-body and three-body covalent interactions. The two-body potential includes steric …

With the increasing requirements for microelectromechanical systems (MEMS) regarding
stability, miniaturization and integration, novel materials such as wide band gap …