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We present the self-consistent implementation of current-dependent (hybrid) meta generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previously proposed generalized kinetic energy density is…
We propose a semismooth Newton method for non-Newtonian models of incompressible flow where the constitutive relation between the shear stress and the symmetric velocity gradient is given implicitly; this class of constitutive relations…
In this manuscript we present a novel and efficient numerical method for the compressible viscous and resistive MHD equations for all Mach number regimes. The time-integration strategy is a semi-implicit splitting, combined with a hybrid…
The currently most viable methods to estimate magnetic field strengths in molecular cloud cores are Zeeman measurements and the Chandrasekhar-Fermi (CF) method. The CF-method estimates magnetic field strengths from polarimetry and relies on…
Magnetic force microscopy (MFM) is long established as a powerful tool for probing the local manifestation of magnetic nanostructures across a range of temperatures and applied stimuli. A major drawback of the technique, however, is that…
Self-consistent field theory (SCFT) is one of the useful methods to simulate phase separated structures of multi-component polymer systems. In this article, we propose an SCFT for semiflexible polymer melts, where the basic equations for…
We supplement the mean field dynamo growth equation with the total magnetic helicity evolution equation. This provides an explicitly time dependent model for alpha quenching in dynamo theory. For dynamos without shear, this approach…
Recent high-resolution 53-$\mu$m polarimetric observations from SOFIA/HAWC+ have revealed the inferred plane-of-the-sky magnetic field (B-field) orientation in the Galactic center's Circum-Nuclear Disk (CND). The B-field is mostly aligned…
We develop a universal approach to the one-loop effective field theory (EFT) using the Covariant Derivative Expansion (CDE) method. We generalise previous results to include broader classes of UV models, showing how expressions previously…
To understand the basic mechanism of the formation of magnetic flux concentrations, we determine by direct numerical simulations the turbulence contributions to the mean magnetic pressure in a strongly stratified isothermal layer with large…
Using direct numerical simulations (DNSs), the interaction between linear waves and turbulence under the compressible magnetohydrodynamic (CMHD) approach was studied. A set of DNSs in three dimensions for a spatial resolution of $128^3$ and…
The pressure-correction method is a well established approach for simulating unsteady, incompressible fluids. It is well-known that implicit discretization of the time derivative in the momentum equation e.g. using a backward…
Density Functional Tight Binding (DFTB) is an attractive method for accelerated quantum simulations of condensed matter due to its enhanced computational efficiency over standard Density Functional Theory approaches. However, DFTB models…
We study two modifications of the collisional thick-target model (CTTM) based on the global and local re-acceleration of non-thermal electrons by static and stochastic electric fields during their transport from the coronal acceleration…
We propose a robust simulation method for phospholipid membranes. It is based on a mixed three-field formulation that accounts for tangential fluidity (Boussinesq-Scriven law), bending elasticity (Canham-Helfrich model) and inextensibility.…
We present numerical simulations and explore scalings and anisotropy of compressible magnetohydrodynamic (MHD) turbulence. Our study covers both gas pressure dominated (high beta) and magnetically dominated (low beta) plasmas at different…
We present the continued fraction method (CFM) as a new microscopic approximation to the spectral density of the Hubbard model in the correlated metal phase away from half filling. The quantity expanded as a continued fraction is the single…
A classical density functional theory (cDFT) based on the PC-SAFT equation of state is proposed for the calculation of adsorption equilibria of pure substances and their mixtures in covalent organic frameworks (COFs). Adsorption isotherms…
Tapping mode atomic force microscopy is a standard technique for inspection and analysis at the nanometer scale. The understanding of the non-linear dynamics of the system due to the tip sample interaction is an important prerequisite for a…
The Sun, aside from its eleven year sunspot cycle is additionally subject to long term variation in its activity. In this work we analyse a solar-like convective dynamo simulation, containing approximately 60 magnetic cycles, exhibiting…