The grating coupling efficiencies for interlayer connection (overlaid chips) were previously calculated using the new rigorous coupled-wave analysis equivalent-index-slab (RCWA-EIS) method. The chip-to-chip coupling efficiencies were determined for rectangular-groove (binary) gratings. In the present work, the search algorithms used in the RCWA-EIS method are optimized giving rise to improved d...

We consider a lattice of coupled logistic maps with periodic boundary condition. We prove that synchronization and almost synchronization occur for the case of 1D lattice with lattice size n = 2, 3, 4 provided the coupling strength c is chosen in a suitable open interval contained in [0, 12 ]. For the case of lattice size n ≥ 4, we also show the numerical results of (almost) synchronized chaoti...

The paper deals with the issue of accuracy for multiscale methods applied to solve stochastic problems. It more precisely focuses on the control of a coupling, performed using the Arlequin framework, between a deterministic continuum model and a stochastic continuum one. Using residual-type estimates and adjoint-based techniques, a strategy for goal-oriented error estimation is presented for th...

Spin-orbital coupling: The study of orbital degeneracy in transition metal oxides is motivated, e.g., by the large variety of spin-charge-orbital ordered phases, the possible control of the orbital degree of freedom at interfaces and heterostructures, the switching from orbital ordered to metallic phases in applied magnetic fields, and the colossal magnetoresistance. The rather complex interpla...

We report a comprehensive study of the paradigmatic quasi-1D compound (TaSe(4))(2)I performed by means of angle-resolved photoemission spectroscopy (ARPES) and first-principles electronic structure calculations. We find it to be a zero-gap semiconductor in the nondistorted structure, with non-negligible interchain coupling. Theory and experiment support a Peierls-like scenario for the charge-de...

In this paper, we discuss the scalability tuning of the HPC software framework FD4. The framework provides dynamic load balancing and model coupling for multiphase and multiphysics simulations. We first investigate scalability bottlenecks using the Vampir performance analysis tool-set on the BlueGene/Q system at JSC. Then, we describe and evaluate our optimized algorithms: A new hierarchical 1D...

Microscopic mechanisms of the puzzling insulating ferromagnetism of half-filled La4Ba2Cu2O10 are elucidated with energy-resolved Wannier states. The dominant magnetic coupling, revealed through evaluated parameters (t, U, and J), turns out to be the intersite direct exchange, a currently ignored mechanism that overwhelms the antiferromagnetic superexchange. By contrast, the isostructural Nd4Ba2...

This paper focuses on solving coupled problems of lumped parameter models. Such problems are of interest for the simulation of severe accidents in nuclear reactors : these coarse-grained models allow for fast calculations for statistical analysis used for risk assessment and solutions of large problems when considering the whole severe accident scenario. However, this modeling approach has seve...

We summarize structural instabilities exhibited by the one dimensional (1D) (arene)2X family of organic conductors in relation with their electronic and magnetic properties. With a charge transfer of one electron to each anion X these salts exhibit a quarter-filled (hole) conduction band located on the donor stacks. Compounds built with donors such as fluorenthene and perylene derivatives and a...

In modern information technology, as integration density increases rapidly and the dimension of materials reduces to nanoscale, interfacial thermal transport (ITT) has attracted widespread attention of scientists. This review introduces the latest theoretical development in ITT through one-dimensional (1D) atomic junction model to address the thermal transport across an interface. With full con...