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

The elastic properties of paramagnetic cubic B1 (c-) Cr1-xAlxN ternary alloys are studied using stress-strain and energy-strain methods within the framework of Density Functional Theory (DFT). A strong compositional dependence of the…

The engineering of the optical response of materials is a paradigm that demands microscopic-level accuracy and reliable predictive theoretical tools. Here we compare and contrast the dispersive permittivity tensor, using both a low-energy…

Spin excitations play a fundamental role in understanding magnetic properties of materials, and have significant technological implications for magnonic devices. However, accurately modeling these in transition-metal and rare-earth…

When the elastic properties of structured materials become direction-dependent, the number of their descriptors increases. For example, in two-dimensions, the anisotropic behavior of materials is described by up to 6 independent elastic…

Auxetic materials are of great engineering interest not only because of their fascinating negative Poisson's ratio, but also due to their increased toughness and indentation resistance. These materials are typically synthesized polyester…

The dependence of the elastic tensor on the equilibrium stress is investigated theoretically. Using ideas from finite-elasticity, it is first shown that both the equilibrium stress and elastic tensor are given uniquely in terms of the…

We propose bending energies for isotropic elastic plates and shells. For a plate, we define and employ a surface tensor that symmetrically couples stretch and curvature such that any elastic energy density constructed from its invariants is…

Mechanical stresses are increasingly found to be associated with various biological functionalities. At the same time, topological defects are being identified across a diverse range of biological systems and are points of localized…

Refractory compositionally complex alloys (RCCAs) are considered the next generation high-temperature materials. However, their high-dimensional composition spaces are too large to explore by traditional density functional theory or…

A data driven finite element method (DDFEM) that accounts for more than two material state variables has been presented in this work. DDFEM framework is motivated from (1,2) and can account for multiple state variables, viz. stresses,…

This work presents a hyper-viscoelastic model based on the Hencky-logarithmic strain tensor to model the response of a Tire Derived Material (TDM) undergoing moderately large deformations. TDM is a composite made by cold forging a mix of…

This contribution investigates the extension of the microplane formulation to the description of transversely isotropic materials such as shale rock, foams, unidirectional composites, and ceramics. Two possible approaches are considered: 1)…

In dislocation-free martensites the components of the elastic strain tensor are constrained by the Saint-Venant compatibility condition which guarantees continuity of the body during external loading. However, in dislocated materials the…

The directional state transition tensor (DSTT) reduces the complexity of state transition tensor (STT) by aligning the STT terms in sensitive directions only, which provides comparable accuracy in orbital uncertainty propagation. The DSTT…

We introduce models for viscoelastic materials, both solids and fluids, based on logarithmic stresses to capture the elastic contribution to the material response. The matrix logarithm allows to link the measures of strain, that naturally…

Elastic constants are central material properties, frequently reported in experimental and theoretical studies. While their computation is straightforward in the absence of thermal fluctuations, finite--temperature methods often suffer from…

The purpose of this study is to investigate the numerical-experimental mechanical behavior modeling of the recycled polymer, that is, recyclable polyethylene terephthalate (rPET), manufactured by a deposition FFF process under compressive…

Using a combination of density-functional perturbation theory and the itinerant coherent potential approximation, we study the effects of atomic relaxation on the inelastic incoherent neutron scattering cross sections of disordered…

We have performed accurate ab initio total energy calculations using the full-potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) for the exchange-correlation potential to…

We introduce a computational method and a user-friendly code with a terminal-based graphical user interface (GUI), named ElATools, developed to analyze mechanical and anisotropic elastic properties. ElATools enables facile analysis of the…