相关论文: Parallel FDTD modelling of nonlocality in plasmoni…

Our theoretical examination of second and third harmonic generation from metal-based nanostructures predicts that nonlocal and quantum tunneling phenomena can significantly exceed expectations based solely on local, classical…

Density Functional Theory (DFT) has become the quasi-standard for ab-initio simulations for a wide range of applications. While the intrinsic cubic scaling of DFT was for a long time limiting the accessible system size to some hundred…

Ductile fracture of metallic materials typically involves the elastoplastic deformation and associated damaging process. The nonlocal lattice particle method (LPM) can be extended to model this complex behavior. Recently, a distortional…

Time domain simulations of electromagnetic problems are highly valuable in engineering applications, as they allow for the analysis of transient behavior and broadband responses. These simulations utilize time stepping schemes, where each…

Dissipative particle dynamics (DPD) is a novel particle method for mesoscale modeling of complex fluids. DPD particles are often thought to represent packets of real atoms, and the physical scale probed in DPD models are determined by the…

Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…

A periodic plasmonic meta-material was studied using finite-difference time domain (FDTD) method to investigate the influence of neighboring particles on the near unity optical absorptivity. The meta-material was constructed as a silver…

By invoking a divide-and-conquer strategy, subsystem DFT dramatically reduces the computational cost of large-scale, \textit{ab-initio} electronic structure simulations of molecules and materials. The central ingredient setting subsystem…

The Finite-Difference Time-Domain (FDTD) method is a well-known technique for the analysis of quantum devices. It solves a discretized Schrodinger equation in an explicitly iterative process. However, the method requires the spatial grid…

We introduce an efficient open-source python package for the inverse design of three-dimensional photonic nanostructures using the Finite-Difference Time-Domain (FDTD) method. Leveraging a flexible reverse-mode automatic differentiation…

Current system thermal-hydraulic codes have limited credibility in simulating real plant conditions, especially when the geometry and boundary conditions are extrapolated beyond the range of test facilities. This paper proposes a…

This paper introduces a new discrete fracture model accounting for non-isothermal compositional multiphase Darcy flows and complex networks of fractures with intersecting, immersed and non immersed fractures. The so called…

We study the effect of nonlocal optical response on the optical properties of metallic nanowires, by numerically implementing the hydrodynamical Drude model for arbitrary nanowire geometries. We first demonstrate the accuracy of our…

Thermonanophotonics, i.e. the study of photothermal effects in optical nanoantennas, has recently attracted growing interest. While thermoplasmonic structures enable a broad range of applications, from imaging and optofluidics devices to…

The finite-difference time-domain (FDTD) algorithm is a popular numerical method for solving electromagnetic problems. FDTD simulations can suffer from instability due to the explicit nature of the method. Stability enforcement can be…

Quantum hydrodynamic model (QHDM) has become a versatile and efficient tool for studying plasmonics at the nanoscopic length scale. Yet its application to noble metals has not been sufficiently justified, in particular for situations where…

Plasmonic devices, fundamental to modern nanophotonics, exploit resonant interactions between light and free electrons in metals to achieve enhanced light trapping and electromagnetic field confinement. However, modeling their complex,…

High-fidelity computational fluid dynamics (CFD) is widely used for thermal-fluid design, but repeated CFD solves remain expensive for design optimization, uncertainty analysis, and digital-twin workflows. Recently, our team has…

The advent of massively parallel supercomputers, with their distributed-memory technology using many processing units, has favored the development of highly-scalable local low-order solvers at the expense of harder-to-scale global very…

An accelerated analysis method for non-uniform metasurfaces in FDTD is presented for the first time. The non-uniform metasurfaces are modeled by a distribution of susceptibilities, homogenized parameters. Those susceptibilities are…