相关论文: Ab initio calculations of third-order elastic coef…

Marcus et al. (Marcus P, Ma H and Qiu S L 2002 J. Phys.: Condens. Matter 14 L525) claim that thermodynamic properties of materials under pressure must be computed using the Gibbs free energy $G$, rather than the internal energy $E$. Marcus…

The electrodynamics of topological insulators (TIs) is described by modified Maxwell's equations, which contain additional terms that couple an electric field to a magnetization and a magnetic field to a polarization of the medium, such…

Refractory metals exhibit high strength at high temperature, but often lack ductility. Multiprinciple element alloys such as high entropy alloys offer the potential to improve ductility while maintaining strength, but we don't know…

We present a flexible method for computing Bayesian optimal experimental designs (BOEDs) for inverse problems with intractable posteriors. The approach is applicable to a wide range of BOED problems and can accommodate various optimality…

We consider a coarse-grained polymer model in order to investigate the origin of a recently discovered negative energy-related contribution to the elastic modulus $G(T)$ of rubber-like gels. From this model, we are able to compute an exact…

We investigate the effect of epitaxial strain on the electrocaloric effect (ECE) in BaTiO$_3$ by means of ab initio based molecular dynamics simulations. We show that tensile strain can be used to optimize the operation range for ferroic…

An electro-optic modulator offers the function of modulating the propagation of light in a material with electric field and enables seamless connection between electronics-based computing and photonics-based communication. The search for…

We develop a general and unified first-principles theory of piezoelectric and flexoelectric tensor, formulated in such a way that the tensor elements can be computed directly in the context of density-functional calculations, including…

In Part I of this contribution, a systematic coarse-grained description of the dynamics of a weakly-bending semiflexible polymer was developed. Here, we discuss analytical solutions of the established deterministic partial…

In this paper, we introduce a statistical field theory that describes the macroscopic mechanical forces in inhomogeneous Coulomb fluids. Our approach employs the generalization of Noether's first theorem for the case of fluctuating order…

We present the derivation of conserved tensors associated to higher-order symmetries in the higher derivative Maxwell Abelian gauge field theories. In our model, the wave operator of the higher derived theory is a $n$-th order polynomial…

The direct calculation of the elastic and piezoelectric tensors of solids can be accomplished by treating homogeneous strain within the framework of density-functional perturbation theory. By formulating the energy functional in reduced…

We continue our investigation of viscoelasticity by extending the Holzapfel-Simo approach discussed in Part I to the fully nonlinear regime. By scrutinizing the relaxation property for the non-equilibrium stresses, it is revealed that a…

A nonlinear small-strain elastic theory is constructed from a systematic expansion in Biot strains, truncated at quadratic order. The primary motivation is the desire for a clean separation between stretching and bending energies for…

Tensors are often compressed by expressing them in low rank tensor formats. In this paper, we develop three methodologies that bound the compressibility of a tensor: (1) Algebraic structure, (2) Smoothness, and (3) Displacement structure.…

Spatial symmetries and invariances play an important role in the behaviour of materials and should be respected in the description and modelling of material properties. The focus here is the class of physically symmetric and positive…

The three-equation model (TEM) was developed in the 1980s to model turbidity currents (TCs) and has been widely used ever since. However, its physical justification was questioned because self-accelerating TCs simulated with the steady TEM…

A first-principles based effective Hamiltonian is used within a molecular dynamics simulation to study the elastocaloric effect in PbTiO3. It is found that the transition temperature is a linear function of uniaxial tensile stress. Negative…

The consolidation of suspended particulate matter under external forces such as pressure or gravity is of widespread interest. In this work, we derive a constitutive relation to describe the deformation of a {\it two-dimensional} strongly…

Basic notions of continuous media mechanics are introduced for spaces with affine connections and metrics. Stress (tension) tensors are considered, obtained by the use of the method of Lagrangians with covariant derivatives (MLCD). On the…