Related papers: Analytic Eigensystems for Isotropic Membrane Energ…
The ab-initio computational treatment of electrochemical systems requires an appropriate treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface is computationally demanding due to the large number of…
Kohn-Sham density functional theory calculations using conventional diagonalization based methods become increasingly expensive as temperature increases due to the need to compute increasing numbers of partially occupied states. We present…
We introduce a finite volume scheme to solve a special case of isotropic 3-wave kinetic equations. We test our numerical solution against theoretical results concerning the long time behavior of the energy and observe that our solutions…
We show that the semi-implicit time discretization approaches previously introduced for multilayer shallow water models for the barotropic case can be also applied to the variable density case with Boussinesq approximation. Furthermore,…
We describe and evaluate a numerical solution strategy for simulating surface acoustic waves through semiconductor devices with complex geometries. This multi-physics problem is of particular relevance to the design of quantum electronic…
Receptor-mediated endocytosis requires that the energy of adhesion overcomes the deformation energy of the plasma membrane. The resulting driving force is balanced by dissipative forces, leading to deterministic dynamical equations. While…
Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…
A systematic expression quantifying the wave energy skewing phenomenon as a function of the mechanical characteristics of a non-isotropic structure is derived in this study. A structure of arbitrary anisotropy, layering and geometric…
In this work, we derive a three-dimensional effective mass that is suitable for treatment of electrons in anisotropic semiconductors. We show that it is possible to define a scalar anisotropic three-dimensional mass that reduces to a…
Atmospheric systems incorporating thermal dynamics must be stable with respect to both energy and entropy. While energy conservation can be enforced via the preservation of the skew-symmetric structure of the Hamiltonian form of the…
We study a subsystem of an isolated one-dimensional correlated metal when it is driven by a steady electric field or when it relaxes after driving. We obtain numerically exact reduced density matrix $\rho$ for subsystems which are…
As a service for the solid mechanics community we gather in this paper constitutive properties of a collective list of isotropic elastic energies for compressible materials. Of interest to us are the invertibility and monotonicity of…
We describe an algorithm to compute the extremal eigenvalues and corresponding eigenvectors of a symmetric matrix by solving a sequence of Quadratic Binary Optimization problems. This algorithm is robust across many different classes of…
An accelerated polynomial expansion scheme to construct the density matrix in quantum mechanical molecular dynamics simulations is proposed. The scheme is based on recursive density matrix expansions, e.g. [Phys. Rev. B. 66 (2002), p.…
The finite element method has become a preeminent simulation technique in electromagnetics. For problems involving anisotropic media and metamaterials, proper algorithms should be developed. It has been proved that discretizing in quadratic…
The thermal and phase properties of a multifragmentation model which uses clusters as degrees of freedom, are explored as a function of isospin. A good qualitative agreement is found with the phase diagram of asymmetric nuclear matter as…
Eigenspaces of the quantum isotropic Harmonic Oscillator $\hat{H}_{\hbar} : = - \frac{\hbar^2}{2} \Delta + \frac{||x||^2}{2}$ on $\mathbb{R}^d$ have extremally high multiplicites and the eigenspace projections $\Pi_{\hbar, E_N(\hbar)} $…
In this paper, the asymptotic behavior of abstract strongly coupled hyperbolic equations with one infinite memory term is investigated, one specific case of which is the model for describing the dynamical behaviour of magnetic effected…
A variational model of pressure-dependent plasticity employing a time-incremental setting is introduced. A novel formulation of the dissipation potential allows one to construct the condensed energy in a variationally consistent manner. For…
Given an energy-dissipating port-Hamiltonian system, we characterise the exponential decay of the energy via the model ingredients under mild conditions on the Hamiltonian density $\mathcal{H}$. In passing, we obtain generalisations for…