Related papers: A modified J model for efficiently calculating the…

We present the results of an ab initio study of magnetic properties of Fe, Co and Ni surfaces. In particular, we discuss their electronic structure and magnetic exchange interactions (Jij), as obtained by means of a combination of density…

High-performance batteries, heterogeneous catalysts and next-generation photovoltaics often centrally involve transition metal oxides (TMOs) that undergo charge or spin-state changes. Demand for accurate DFT modeling of TMOs has increased…

Electron scattering methods, involving nucleus which have little or no intrinsic deformation suggest nucleon distribution to be of Fermi type. This distribution is further parameterised as Wood Saxon (WS) distribution, where an uniform…

We demonstrate the coupling of rare-earth ions locally implanted in a substrate (Gd$^{3+}$ in Al$_{2}$O$_{3}$) to a superconducting NbN lumped-element micro-resonator. The hybrid device is fabricated by a controlled ion implantation of…

Nuclear fusion using magnetic confinement holds promise as a viable method for sustainable energy. However, most fusion devices have been experimental and as we move towards energy reactors, we are entering into a new paradigm of…

We introduce and investigate material junctions as a generic and tuneable electronic platform for the realization of exotic non-Hermitian (NH) topological states of matter, where the NH character is induced by the surface self-energy of a…

Nuclear magnetic resonance (NMR) was recently shown to measure the bulk band inversion of Bi$_2$Se$_3$ through changes in the $^{209}$Bi nuclear quadrupole interaction, and the corresponding tensor of the local electric field gradient was…

Algorithms for computing neutrino oscillation probabilities in sharply varying matter potentials such as the Earth are becoming increasingly important. As the next generation of experiments, DUNE and HyperK as well as the IceCube upgrade…

Single phase Ni substituted LiCo1-xNixO2 solid solutions with x < 0.15 have been synthesized to study the effect of substitution on the magnetic behavior. Two different techniques, magnetic susceptibility and electron paramagnetic…

This paper presents an extension of the hybrid scheme proposed by Wang et al. (J. Comput. Phys. 229 (2010) 169-180) for numerical simulation of compressible isotropic turbulence to flows with higher turbulent Mach numbers. The scheme still…

The improved quark mass density- dependent model which includes the coupling between the quarks and a non-linear scalar field is presented. Numerical analysis of solutions of the model is performed over a wide range of parameters. The wave…

We present a 3D hybrid method which combines the Finite Element Method (FEM) and the Spectral Boundary Integral method (SBIM) to model nonlinear problems in unbounded domains. The flexibility of FEM is used to model the complex,…

REBa2Cu3O7-d (RE123, RE: rare earth) is one of the high-temperature superconductors with a transition temperature (Tc) exceeding 90 K. Because of its high Tc and large critical current density (Jc) under magnetic fields, RE123…

This paper presents a simple and effective new numerical scheme for the computation of electrostatic fields exterior to a collection of close-to-touching discs. The method is presented in detail for the two-cylinder case. The key idea is to…

We construct quantum circuits which exactly encode the spectra of correlated electron models up to errors from rotation synthesis. By invoking these circuits as oracles within the recently introduced "qubitization" framework, one can use…

We develop a hybrid Monte Carlo method to efficiently compute the physical observables from the samplings of the Laughlin and the Moore-Read wave functions of fractional quantum Hall (FQH) systems. With the advancements in methodology,…

Molecular dynamics (MD) simulation with modified Brenner's reactive empirical bond order (REBO) potential is a powerful tool to investigate plasma wall interaction on divertor plates in a nuclear fusion device. However, MD simulation box's…

We propose a new method to compute magnetic surfaces that are parametrized in Boozer coordinates for vacuum magnetic fields. We also propose a measure for quasi-symmetry on the computed surfaces and use it to design coils that generate a…

Magnetic oscillations in strongly correlated insulating systems have garnered interest due to oscillations seemingly originating from the bulk, despite an anticipated gapped spectrum. We use the large-$N$ mean-field theory to study the…

We study one of the simplest integrable two-dimensional quantum field theories with a boundary: $N$ free non-compact scalars in the bulk, constrained non-linearly on the boundary to lie on an $(N-1)$-sphere of radius $1/\sqrt{g}$. The $N=1$…