相关论文: Computational prediction of ideal strength for a m…

As a service for the solid mechanics community we gather in this paper constitutive properties of a collective list of isotropic elastic energies for compressible materials. Of interest to us are the invertibility and monotonicity of…

Surface stress, also known as surface tension, is a fundamental material property of any interface. However, measurements of solid surface stress in traditional engineering materials, such as metals and oxides, have proven to be very…

The critical resolved shear stress of an Al 4 wt. \% Cu alloy containing a homogeneous distribution of $\theta''$ precipitates was determined by means of dislocation dynamics simulations. The size distribution, shape, orientation and volume…

Dislocation slip and deformation twin are widely regarded as two important mechanisms of active competition in the process of plastic deformation. Calculating and comparing the critical resolved shear stress (CRSS) of two deformation modes…

Crystal structure prediction is a central problem of theoretical crystallography and materials science, which until mid-2000s was considered intractable. Several methods, based on either energy landscape exploration$^{1,2}$ or, more…

We investigate shear strength properties of wet granular materials in the pendular state (i.e. the state where the liquid phase is discontinuous) as a function of water content. Sand and glass beads were wetted and tested in a direct shear…

We explore the application of computer vision and machine learning (ML) techniques to predict material properties (e.g. compressive strength) based on SEM images. We show that it's possible to train ML models to predict materials…

Layered, hexagonal crystal structures, like zeta and eta phases, play an important role in ultra-high temperature ceramics, often significantly increasing toughness of carbide composites. Despite their importance open questions remain about…

First principles FLAPW- GGA calculations have been performed to predict the structural, electronic, cohesive and magnetic properties for hexagonal WC doped with all 3d metals. The optimized lattice parameters, density of states, cohesive…

The response of metals and their microstructures under extreme dynamic conditions can be markedly different from that under quasistatic conditions. Traditionally, high strain rates and shock stresses are measured using cumbersome and…

The trap parameters of defects in Si/CaF2 multilayered structures were determined from the analysis of optical charging spectroscopy measurements. Two kinds of maxima were observed. Some of them were rather broad, corresponding to "normal"…

Change in the interatomic spacing of a two-atom system under tension and compression has been modelled by the elastic deformation of atoms. The critical elastic strain of atoms before separation or cracking from tension was estimated by the…

Auxetic materials, or negative-Poisson's-ratio materials, are important technologically and fascinating theoretically. When loaded by external stresses, their internal strains are governed by correlated motion of internal structural degrees…

This work presents a fast and scalable approach for predicting surface stability and equilibrium crystal morphology in ionic materials using electrostatic analysis. The method constructs stoichiometric slab terminations and evaluates their…

The prediction of energetically stable crystal structures formed by a given chemical composition is a central problem in solid-state physics. In principle, the crystalline state of assembled atoms can be determined by optimizing the energy…

The first step in constructing a machine learning model is defining the features of the data set that can be used for optimal learning. In this work we discuss feature selection methods, which can be used to build better models, as well as…

Cohesive granular materials, like wet sand, retain their shape before yielding under stress. This solid-like behavior is associated with elasticity. As the loading increases, the material typically flows. However, cohesive materials can…

Modern product design in the engineering domain is increasingly driven by computational analysis including finite-element based simulation, computational optimization, and modern data analysis techniques such as machine learning. To apply…

Defects in solid commonly limit mechanical performance of the material. However, recent measurements reported that the extraordinarily high strength of graphene is almost retained with the presence of grain boundaries. We clarify in this…

Accurate predictions of the failure progression of structural materials is critical for preventing failure-induced accidents. Despite considerable mechanics modeling-based efforts, accurate prediction remains a challenging task in…