相关论文: Structural Aspects of Deformation Defects in Bulk …

It has been a long-standing materials science challenge to establish structure-property relations in amorphous solids. Here we introduce a rotation-variant local structure representation that enables different predictions for different…

The role of porous structure and glass density in response to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature…

The evolution of porous structure and mechanical properties of binary glasses under tensile loading were examined using molecular dynamics simulations. We consider vitreous systems obtained in the process of phase separation after a rapid…

We perform molecular dynamics simulations to compress binary hard spheres into jammed packings as a function of the compression rate $R$, size ratio $\alpha$, and number fraction $x_S$ of small particles to determine the connection between…

The atomic theory of elasticity of amorphous solids, based on the nonaffine response formalism, is extended into the nonlinear stress-strain regime by coupling with the underlying irreversible many-body dynamics. The latter is implemented…

Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…

We report that both shear and bulk moduli, not only shear modulus, are critical parameters involved in both homogeneous and inhomogeneous flows in metallic glass. The flow activation energy (\Delta F) of various glasses when scaled with…

Metallic glasses are promising materials with unique mechanical and thermal properties, but their atomic-scale dynamics remain challenging to understand. In this work, we develop a unified approach to investigate the glass transition and…

A mesoscopic model for shear plasticity of amorphous materials in two dimensions is introduced, and studied through numerical simulations in order to elucidate the macroscopic (large scale) mechanical behavior. Plastic deformation is…

A crystallographic displacive model is proposed for the extension twins in magnesium. It is based on a hard-sphere assumption previously used for martensitic transformations. The atomic displacements are established, and the homogeneous…

Brownian dynamics simulations of bidisperse hard discs moving in two dimensions in a given steady and homogeneous shear flow are presented close to and above the glasstransition density. The stationary structure functions and stresses of…

Mesoscopic models play an important role in our understanding of the deformation and flow of amorphous materials. One such description, based on the Shear Transformation Zone (STZ) theory, has recently been re-formulated within a…

When strain-rate sensitivity (SRS) is negative in metallic glasses, the material becomes weaker as the deformation rate increases, leading to accelerated plastic deformation and, eventually, catastrophic fracture. In this study, we…

Using a well defined soft model glass in the framework of Molecular Dynamics simulations, the inherent structures are probed by means of a recently developed deformation protocol that aims to capture the Dynamical Heterogeneities (DH), as…

We review the recent literature on the simulation of the structure and deformation of amorphous glasses, including oxide and metallic glasses. We consider simulations at different length and time scales. At the nanometer scale, we review…

"Micro-alloying", referring to the addition of small concentration of a foreign metal to a given metallic glass, was used extensively in recent years to attempt to improve the mechanical properties of the latter. The results are haphazard…

The mechanical properties of amorphous solids like metallic glasses can be dramatically changed by adding small concentrations (as low as 0.1\%) of foreign elements. The glass-forming-ability, the ductility, the yield stress and the elastic…

This paper examines the stability of a previously proposed version of the shear-transformation-zone (STZ) theory of plasticity where the total STZ population is determined by an effective temperature and compares it to experimental results…

Jamming is a fundamental transition that governs the mechanical behavior of particulate media, including sand, foam and dense suspensions but also biological tissues: Upon compression, particulate media can change from freely flowing to a…

There is a growing evidence that relaxation in glassy materials, both spontaneous and externally driven, is mediated by localized soft spots. Recent progress made it possible to identify the soft spots inside glassy structures and to…