相关论文: Controversy over Elastic Constants Based on Intera…

Oscillations of atomic nuclei in crystals are considered in this paper. It is shown that elastic nuclei oscillations relatively electron envelops (inherent, I-oscillations) and waves of such oscillations can exist in crystals at adiabatic…

We show that the vibrational response of a glassy liquid at finite frequencies can be described by continuum mechanics despite the vast degeneracy of the vibrational ground state; standard continuum elasticity assumes a unique ground state.…

Large scale atomistic simulations with suitable interatomic potentials are widely employed by scientists or engineers of different areas. Quick generation of high-quality interatomic potentials is of urgent need under present circumstances,…

The East model is a particular one dimensional interacting particle system in which certain transitions are forbidden according to some constraints depending on the configuration of the system. As such it has received particular attention…

All contemporary phenomenological models of elastic hadronic scattering have been based on the assumption of validity of optical theorem that was overtaken from optics. It has been stated that it may be proven in particle physics. However,…

Many materials of interest are polycrystals, i.e. aggregates of single crystals. Randomly distributed orientations of single crystals lead to macroscopically isotropic properties. Here, we briefly review strategies of calculating effective…

The nonlinear mechanics of a flexible elastic rod constrained at its edges by a pair of sliding sleeves is analyzed. The planar equilibrium configurations of this variable-length elastica are found to have shape defined only by the…

We propose an explanation for the quadratic dependence on the momentum $Q$, of the broadening of the acoustic excitation peak recently found in the study of the dynamic structure factor of many real and simulated glasses. We ascribe the…

Soft composite solids are made of inclusions dispersed within soft matrices. They are ubiquitous in nature and form the basis of many biological tissues. In the field of materials science, synthetic soft composites are promising candidates…

In spite of the growing body of evidence against it, the elasticity view of the phenomenon of cavitation in elastomers continues to be utilized in numerous studies. In this context, the main objective of this paper is to provide a…

Periodic field patterns of atoms and their charges/spins/orbits emerge in crystals, forming novel states of matter called emergent crystals (ECs). In recent years, they are observed in diverse systems such as skyrmion crystals in…

The mechanical response of naturally abundant amorphous solids such as gels, jammed grains, and biological tissues are not described by the conventional paradigm of broken symmetry that defines crystalline elasticity. In contrast, the…

The interaction of C atoms with a screw and an edge dislocation is modelled at an atomic scale using an empirical Fe-C interatomic potential based on the Embedded Atom Method (EAM) and molecular statics simulations. Results of atomic…

The recent improvements in cryo-electron microscopy (cryo-EM) in the past few years are now allowing to observe molecular complexes at atomic resolution. As a consequence, numerous structures derived from cryo-EM are now available in the…

Nematic elastomers and glasses deform spontaneously when subjected to temperature changes. This property can be exploited in the design of heterogeneously patterned thin sheets that deform into a non-trivial shape when heated or cooled. In…

We prove long-time existence of solutions for the equations of atomistic elastodynamics on a bounded domain with time-dependent boundary values as well as their convergence to a solution of continuum nonlinear elastodynamics as the…

Ni-Mo superalloys have emerged as materials of choice for a diverse array of applications owing to their superior mechanical properties, exceptional corrosion and oxidation resistance, electrocatalytic behavior, and surface stability.…

Through detailed comparisons between Embedded Atom Method (EAM) and first-principles calculations for Al, we find that EAM tends to fail when there are large electron density gradients present. We attribute the observed failures to the…

In this paper, we explain the reasons behind constraint interaction, which is the phenomenon that the results of testing equality constraints may depend heavily on the scaling method used. We find that the scaling methods interfere with the…

Atomistic simulations often rely on interatomic potentials to access greater time- and length- scales than those accessible to first principles methods such as density functional theory (DFT). However, since a parameterised potential…