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As inelastic structures are ubiquitous in many engineering fields, a central task in computational mechanics is to develop accurate, robust and efficient tools for their analysis. Motivated by the poor performances exhibited by standard…
We present a strategy for the design of ferromagnetic materials with exceptionally low magnetic hysteresis, quantified by coercivity. In this strategy, we use a micromagnetic algorithm that we have developed in previous research and which…
The major challenge in determining a hyperelastic model for a given material is the choice of invariants and the selection how the strain energy function depends functionally on these invariants. Here we introduce a new data-driven…
A new electronic structure principle, viz. the minimum magnetizability principle (MMP) has been proposed and also has been verified through ab initio calculations, to extend the domain of applicability of the conceptual density functional…
Magnetic ordering in two-dimensional (2D) materials has recently emerged as a promising platform for data storage, computing, and sensing. To advance these developments, it is vital to gain a detailed understanding of how the magnetic order…
The orbital motion of electrons in a three-dimensional solid can generate a pseudoscalar magnetoelectric coupling $\theta$, a fact we derive for the single-particle case using a recent theory of polarization in weakly inhomogeneous…
In this work the thermodynamic properties of short polymer knots (up to 120 segments) defined on a simple cubic lattice are studied with the help of the Wang-Landau Monte Carlo algorithm. The sampling process is performed using pivot…
The topological properties of a material depend on its symmetries, parameters, and spatial dimension. Changes in these properties due to parameter and symmetry variations can be understood by computing the corresponding topological…
Amongst the various fascinating types of material behavior featured by magnetic gels and elastomers are magnetostrictive effects. That is, deformations in shape or changes in volume are induced from outside by external magnetic fields.…
Magnetism governs key properties of materials used in energy, data storage, and spintronic technologies, yet its complex coupling to lattice and electronic degrees of freedom challenges conventional first-principles approaches. We introduce…
We introduce a purely geometric formulation for two different measures addressed to quantify the entanglement between different parts of a tripartite qubit system. Our approach considers the entanglement-polytope defined by the smallest…
In this work a new strategy is proposed in order to build analytic and microscopic models of fluctuating polymer rings subjected to topological constraints. The topological invariants used to fix these constraints belong to a wide class of…
The present work is concerned with the issue of spurious coupling effects that are pervasive in fully coupled magneto-mechanical finite element simulations involving very soft non-magnetic or air-like media. We first address the…
MXene, the two-dimensional derivatives of MAX compounds, due to their structural and compositional flexibility, is an ideal family of compounds to study a number of structure-property relations. In this work, we have investigated the…
Symmetry invariants of a group specify the classes of quasiparticles, namely the classes of projective irreducible co-representations in systems having that symmetry. More symmetry invariants exist in discrete point groups than the full…
In this paper the equations governing the deformations of infinitesimal (incremental) disturbances superimposed on finite static deformation fields involving magnetic and elastic interactions are presented. The coupling between the…
We evaluate the conditions for surface stability of a layered magnetoelastic half-space subjected to large deformations and a magnetic field. After reviewing the fundamental measures of deformation and summarizing the magnetostatic…
This work presents a general finite element formulation based on a six--field variational principle that incorporates the consistent couple stress theory. A simple, efficient and local iteration free solving procedure that covers both…
Pairwise entanglement properties of a symmetric multi-qubit system are analyzed through a complete set of two-qubit local invariants. Collective features of entanglement, such as spin squeezing, are expressed in terms of invariants and a…
A chemo-mechanical model for a finite-strain elasto-viscoplastic material containing multiple chemical components is formulated and an efficient numerical implementation is developed to solve the resulting transport relations. The numerical…