相关论文: Elastic tensor-derived properties of composition-d…

In the presented research, the intergranular elastic interaction and the second-order plastic incompatibility stress in textured ferritic and austenitic steels were investigated by means of diffraction. The lattice strains were measured…

A theory of flow stress, including the yield strength is proposed for the class of PC materials with equilibrium defect structure (EDS), which is established in the PC material after series of $N_0$ similar treatments of severe plastic…

Constitutive equations are derived for the viscoelastic behavior of filled elastomers at isothermal loading with finite strains. A particle-reinforced rubber is thought of as a composite where regions with low concentrations of junctions…

Usual introductions of the concept of motion are not well adapted to a subsequent, strictly tensorial, theory of elasticity. The consideration of arbitrary coordinate systems for the representation of both, the points in the laboratory, and…

We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The major idea is to make use of the correlations between…

Our understanding of the elasticity and rheology of disordered materials, such as granular piles, foams, emulsions or dense suspensions relies on improving experimental tools to characterize their behaviour at the particle scale. While 2D…

The enriched finite element basis -- wherein the finite element basis is enriched with atom-centered numerical functions -- has recently been shown to be a computationally efficient basis for systematically convergent all-electron DFT…

Refractory multi-principal element alloys (RMPEAs) have attracted growing interest for their exceptional high-temperature strength, yet their complex compositions hinder a mechanistic understanding of plastic deformation. Here, we perform…

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…

Routine investigations of plasmonic phenomena at the quantum level present a formidable computational challenge due to the large system sizes and ultrafast timescales involved. This Feature Article highlights the use of density functional…

In this work we present a new method for the calculation of the electrostrictive properties of materials using density functional theory. The method relies on the thermodynamical equivalence, in a dielectric, of the quadratic mechanical…

In this work, the elastic and thermodynamic properties of Pt$_{3}$Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at…

Stress-stress correlations in crystalline solids with long-range order can be straightforwardly derived using elasticity theory. In contrast, the `emergent elasticity' of amorphous solids, rigid materials characterized by an underlying…

The spectral decomposition of a symmetric, second-order tensor is widely adopted in many fields of Computational Mechanics. As an example, in elasto-plasticity under large strain and rotations, given the Cauchy deformation tensor, it is a…

A continuum dynamical model is developed to determine the morphological and compositional instabilities on the free surface of heteroepitaxial alloy films in the absence of growth. We use linear stability analysis to study the early…

Soft electronics have recently gathered considerable interest thanks to their bio-mechanical compatibility. An important feature of such deformable conductors is their electrical response to strain. While development of stretchable…

Using the density functional formalism we derive expression for the distortion free energy for systems with continuous broken symmetry and use it to derive expression for the elastic constants of smectic phases in which director is tilted…

Materials under confinement can possess properties that deviate considerably from their bulk counterparts. Indeed, confinement makes all physical properties position-dependent and possibly anisotropic, and characterizing such spatial…

A method for the calculation of elastic constants in the NVT ensamble, using molecular dynamics (MD) simulation with a realistic many-body embedded-atom-model (EAM) potential, is studied in detail. It is shown that in such NVT MD…

In this work, we present a high-throughput first-principles study of elastic properties of bulk and monolayer materials mainly using the vdW-DF-optB88 functional. We discuss the trends on the elastic response with respect to changes in…