相关论文: ElasTool: An automated toolkit for elastic constan…
We combined descriptor-based analytical models for stiffness-matrix and elastic-moduli with mean-field methods to accelerate assessment of technologically useful properties of high-entropy alloys, such as strength and ductility. Model…
The elastic properties of eta-Fe2C (eta carbide) have been determined from ab initio density functional theory (DFT) calculations using the generalized gradient approximation (GGA). The isotropic polycrystalline elastic modulus of eta-Fe2C…
Soft, slender structures are ubiquitous in natural and engineered systems, with broad application potential from biomimetic materials to soft robotics. However, there is a notable lack of computational tools that simultaneously preserve…
The RooStats toolkit, which is distributed with the ROOT software package, provides a large collection of software tools that implement statistical methods commonly used by the High Energy Physics community. The toolkit is based on RooFit,…
We derive a continuum-level plasticity model for polycrystalline materials in the high energy density regime, based on a single dislocation density and single mobility mechanism, with an evolution model for the dislocation density. The…
In this paper, we did a systematic comparative study on the accuracy of two computational methods of elastic constants combined with the density functional theory (DFT), the stress-strain method and the energy-strain method. We took metal…
Using a geometrically motivated 8-parameter ansatz through the thickness, we reduce a three-dimensional shell-like geometrically nonlinear Cosserat material to a fully two-dimensional shell model. Curvature effects are fully taken into…
Present work presents a code written in the very simple programming language MATLAB, for three dimensional linear elastostatics, using constant boundary elements. The code, in full or in part, is not a translation or a copy of any of the…
This paper presents a new tool learning dataset Seal-Tools, which contains self-instruct API-like tools. Seal-Tools not only offers a large number of tools, but also includes instances which demonstrate the practical application of tools.…
Liquid crystalline elastomers (LCE) undergo reversible shape changes in response to stimuli, which may enable a wide range of smart applications, such as soft robot, adhesive systems or implantable medical devices. Here we introduce new…
We present VelCrys, a web-based interactive tool, that allows to perform further post-processing of the elastic tensor in order to compute and plot the group velocity of the acoustic waves for any crystal symmetry. We also implemented the…
The elasticity tensor that describes the elastic response of a material to external forces is among the most fundamental properties of materials. The availability of full elasticity tensors for inorganic crystalline compounds, however, is…
Strain-based theory on elastic instabilities is being widely employed for studying onset of plasticity, phase transition or melting in crystals. And size effects, observed in nano-materials or solids under dynamic loadings, needs to account…
Fourth-rank tensors of complete Voigt's symmetry, that embody the elastic properties of crystalline anisotropic substances, were constructed for all 2D crystal systems. Using them we obtained explicit expressions for inverse of Young's…
Liquid crystalline elastomers (LCEs) are shape-changing materials that exhibit large deformations in response to applied stimuli. Local control of the orientation of LCEs spatially directs the deformation of these materials to realize…
In this paper, we'll hunt for ordered crystal structures that may be stable, and that would explain the brittleness of electrical steel. I.e we wish to find crystals with negative formation energy, if it turns out that these structures are…
We provide statistical analysis methods for samples of curves when the image but not the parametrisation of the curves is of interest. A parametrisation invariant analysis can be based on the elastic distance of the curves modulo warping,…
One of the fascinating properties of the new families of two-dimensional crystals is their high stretchability and the possibility to use external strain to manipulate, in a controlled manner, their optical and electronic properties. Strain…
We develop a characterization method of electroconvection structures in a planar nematic liquid crystal layer by a study of the electric current transport. Because the applied potential difference has a sinusoidal time dependence, we define…
High-throughput $ab$ $initio$ calculations are the indispensable parts of data-driven discovery of new materials with desirable properties, as reflected in the establishment of several online material databases. The accumulation of…