The notion of asymmetrical Hydrogen Bond (O: HO) Cooperativity and Polarizability (HBCP)
has enabled exploration of the core physics behind irregularities of water and ice …

We present recent progress in understanding the anomalous behavior of water ice under
mechanical compression, thermal excitation, and molecular undercoordination (with fewer …

The specific-heat difference between the O: H van der Waals bond and the H–O polar-
covalent bond and the Coulomb repulsion between electron pairs on adjacent oxygen …

Phenomena due to chemical bond reformation and relaxation are ubiquitous and important.
A consistent and systematic understanding of such matters is yet urgently needed, which is …

Dislocations are of great importance in revealing the underlying mechanisms of deformed
solid crystals. With the development of computational facilities and technologies, the …

Bond relaxation from one equilibrium to another under perturbation matters uniquely the
performance of a substance and thus it has enormous impact to materials science and …

The strain rate and temperature effects on the deformation behavior of crystalline metal
materials have always been a research hotspot. In this paper, a strain rate dependent …

A new constitutive equation of thermoelasticity for crystals is presented based on the
interatomic potential and solid mechanics at finite temperature. Using the new constitutive …

Molecular dynamics simulations are performed to investigate the deformation behavior of
nanocrystalline Ni with pre-twin atom structure. The simulation sample is composed of four …

This paper presents a new continuum thermal stress theory for crystals based on interatomic
potentials. The effect of finite temperature is taken into account via a harmonic model. An …