Finite-difference Time-domain Solution Research Articles

Quantum Interference at the Recombination Junction of Perovskite-Si Tandem Solar Cells Improves Efficiency.

We show quantum interference effects can enhance coherent electron transmission in perovskite tandem solar cells using ultrathin indium tin oxide (ITO) layers. We develop a model for the behavior of the power conversion efficiency based on a finite difference time domain solution of the time-dependent Schrödinger equation. The modeled potential includes an imaginary part to simulate probability loss by incoherent scattering. The results agree with observations of efficiency as a function of ITO thickness, suggesting an optimized design.

Analysis of the Influence of Fabrication Errors on the Far-Field Performance of Si and Si3N4 Antennas

Antennas are important components in optical phased arrays. However, their far-field performance deteriorates when random phase noise is introduced because of fabricating errors. For the first time, we use a finite-difference time-domain solution to quantitatively analyze the far-field characteristics of Si and Si3N4 antennas considering process errors. Under rough surface conditions based on a fishbone structure, we find that the quality of the main lobe of the Si antenna deteriorates badly, with −0.87 dB and −0.51 dB decreases in the sidelobe level and 5.78% and 3.74% deteriorations in the main peak power in the φ (phase-controlled) and θ (wavelength-controlled) directions, respectively. However, the Si3N4 antenna is only slightly impacted, with mere 0.39% and 0.71% deteriorations in the main peak power in the φ and θ directions, respectively, which is statistically about 1/15 of the Si antenna in the φ direction and 1/5 in the θ direction. The decreases in the sidelobe level are also slight, at about −0.08 dB and −0.01 dB, respectively. Furthermore, the advantages of the Si3N4 antenna become more remarkable with the introduction of random errors into the waveguide width and thickness. This work is of great significance for the design and optimization of OPA chips.

Simulation and analysis of the optical performance of silicon nanowire arrays

It is the basic operating principle of many optoelectronic sensors with using semiconductor materials to detect light waves for achieving efficient photoelectric conversion. At present, how to maximize the light absorption of materials in broad spectrum becomes one of the key subjects in optical sensing field. In this paper, the antireflective properties of silicon nanowire arrays is analyzed by means of the subwavelength grating principle and the effective medium theory, and the influence of structural parameters on the reflectivity of micro/nano structured arrays under broad spectrum irradiation is simulated by finite difference time domain solutions simulation software system. Theoretical calculation can get knowledge of the variation regularity of diffraction order of micro/nano films. Simulation result can provide theoretical reference for later specific experiments of realizing the morphology evolution of arrays. Combination of two steps, the appearance of higher-order diffraction light can be controlled by changing the structural parameters so as to improve the antireflective properties of micro/nano structured arrays.

Effect of optical fiber end face scratches on laser-induced damage threshold.

The scratches on the fiber end face can enhance the local electrical field, which lowers the damage threshold. The damage mechanism of a high-energy laser is investigated. The effect of scratches on the electric field is simulated by the finite difference time domain (FDTD) solution. The results show that the depth of the scratch has a greater ability to influence the electric field than the width, and multiple scratches have a stronger modulation than a single scratch. In calculation, the damage threshold of the scratch-free end face is 0.456J/c m 2 when the incident light electric field intensity is 50M V/c m, compared to 0.345J/c m 2 in the presence of the scratch on the end face.

Inferring Drumhead Damping and Tuning from Sound Using Finite Difference Time Domain (FDTD) Models

Percussionists use a multitude of objects and materials, mounted on their instruments, to achieve a satisfying sound texture. This is a tedious process as there are no guidelines suggesting how to manipulate a percussion instrument to adjust its perceptual characteristics in the desired direction. To this end, the article presents a methodology for computationally identifying how to damp and tune a drumhead by adjusting its mass distribution, e.g., by applying malleable paste on its surface. A dataset of 11,114 sounds has been synthesized using a FDTD solution of the wave equation representing the vibration of a membrane, which is being transmuted through the application of paste. These sounds are investigated to derive conclusions concerning their spectral characteristics and data reduction techniques are used to investigate the feasibility of computationally inferring damping parameters for a given sound. Furthermore, these sounds are used to train a Convolutional Neural Network to infer mass distribution from sound. Results show that computational approaches can provide valuable information to percussionists striving to adjust their personal sound. Although this study has been performed with synthesized sounds, the research methodology presents some inspiring ideas for future investigations with prerecorded sounds.

In silico assessment of histotripsy-induced changes in catheter-directed thrombolytic delivery.

Introduction: For venous thrombosis patients, catheter-directed thrombolytic therapy is the standard-of-care to recanalize the occluded vessel. Limitations with thrombolytic drugs make the development of adjuvant treatments an active area of research. One potential adjuvant is histotripsy, a focused ultrasound therapy that lyses red blood cells within thrombus via the spontaneous generation of bubbles. Histotripsy has also been shown to improve the efficacy of thrombolytic drugs, though the precise mechanism of enhancement has not been elucidated. In this study, in silico calculations were performed to determine the contribution of histotripsy-induced changes in thrombus diffusivity to alter catheter-directed therapy. Methods: An established and validated Monte Carlo calculation was used to predict the extent of histotripsy bubble activity. The distribution of thrombolytic drug was computed with a finite-difference time domain (FDTD) solution of the perfusion-diffusion equation. The FDTD calculation included changes in thrombus diffusivity based on outcomes of the Monte Carlo calculation. Fibrin degradation was determined using the known reaction rate of thrombolytic drug. Results: In the absence of histotripsy, thrombolytic delivery was restricted in close proximity to the catheter. Thrombolytic perfused throughout the focal region for calculations that included the effects of histotripsy, resulting in an increased degree of fibrinolysis. Discussion: These results were consistent with the outcomes of in vitro studies, suggesting histotripsy-induced changes in the thrombus diffusivity are a primary mechanism for enhancement of thrombolytic drugs.

Sb2S3-Based Dynamically Tuned Color Filter Array via Genetic Algorithm.

Color displays have become increasingly attractive, with dielectric optical nanoantennas demonstrating especially promising applications due to the high refractive index of the material, enabling devices to support geometry-dependent Mie resonance in the visible band. Although many structural color designs based on dielectric nanoantennas employ the method of artificial positive adjustment, the design cycle is too lengthy and the approach is non-intelligent. The commonly used phase change material Ge2Sb2Te5 (GST) is characterized by high absorption and a small contrast to the real part of the refractive index in the visible light band, thereby restricting its application in this range. The Sb2S3 phase change material is endowed with a wide band gap of 1.7 to 2 eV, demonstrating two orders of magnitude lower propagation loss compared to GST, when integrated onto a silicon waveguide, and exhibiting a maximum refractive index contrast close to 1 at 614 nm. Thus, Sb2S3 is a more suitable phase change material than GST for tuning visible light. In this paper, genetic algorithms and finite-difference time-domain (FDTD) solutions are combined and introduced as Sb2S3 phase change material to design nanoantennas. Structural color is generated in the reflection mode through the Mie resonance inside the structure, and the properties of Sb2S3 in different phase states are utilized to achieve tunability. Compared to traditional methods, genetic algorithms are superior-optimization algorithms that require low computational effort and a high population performance. Furthermore, Sb2S3 material can be laser-induced to switch the transitions of the crystallized and amorphous states, achieving reversible color. The large chromatic aberration ∆E modulation of 64.8, 28.1, and 44.1 was, respectively, achieved by the Sb2S3 phase transition in this paper. Moreover, based on the sensitivity of the structure to the incident angle, it can also be used in fields such as angle-sensitive detectors.

An in silico model of clot degradation under the action of histotripsy and thrombolytic drugs

For venous thrombosis patients, catheter-directed thrombolytic drugs remain the standard-of-care to restore vascular flow. Improved outcomes are observed when thrombolytic drugs are combined with histotripsy, a focused ultrasound therapy that breaks down tissue via bubble activity. To gain insight into the mechanisms of this combination approach, an in silico model of bubble/thrombolytic/clot interaction was developed. A Monte Carlo-like simulation was used to gauge the extent of histotripsy ablation. The local tissue properties that dictate bubble nucleation were adjusted based on annotated histological sections of venous thrombi. The distribution of thrombolytic drug within the clot was computed using a finite-difference time domain solution of the perfusion-diffusion equation. Fibrin degradation was computed using the known reaction rate of thrombolytic drug. Predictions of ablation were dependent on the clot subgroup, with a reduction in the extend of ablation as the concentration of fibrin increased. Thrombolytic drug was more uniformly distributed throughout the clot when the effects of histotripsy ablation were consistent, consistent with recent in vitro measurements. Overall, the findings here indicate histotripsy primarily enhances the activity of thrombolytic drugs is via debulking red blood cells within a clot.

Incoherent-to-coherent crossover in thermal transport through III–V alloy superlattices

We report on time-domain thermoreflectance measurements of cross-plane thermal conductivity of In0.63Ga0.37As/In0.37Al0.63As superlattices with interface densities ranging from 0.0374 to 2.19 nm−1 in the temperature range 80–295 K. The measurements are complemented by a three-dimensional finite-difference time-domain solution to the elastic wave equation, in which the rms roughness and correlation length at heterointerfaces are varied, and the parameters yielding best agreement with experiment are determined using machine learning. Both experimental measurements and simulations demonstrate the existence of a minimum in the cross-plane thermal conductivity as a function of interface density, which is evidence of a crossover from incoherent to coherent phonon transport as the interface density increases. This minimum persists with increasing temperature, indicating the continued dominance of the temperature-independent interface and alloy-disorder scattering over the temperature-dependent three-phonon scattering in thermal transport through III–V alloy superlattices.

Dynamic monitoring of bacteriostatic process by SERS analysis based on a simple but effective detection strategy

Investigating antibacterial process at a molecular level is helpful to fully understand the mechanism of bacteriostasis and develop new antimicrobial agents. Herein, a simple but effective sensor strategy of antibacterial nanocomposite combined with surface-enhanced Raman scattering (SERS) substrate was applied for the robust detection of bacteriostatic process. The synergistic SERS effect of nanocomposite and Ag nanoparticles (NPs) substrate was confirmed by finite difference time domain (FDTD) solutions. A curcumin liposome@Au NPs nanocomposite was designed and prepared as a kind of bacteriostatic agent and SERS material as well. By means of electrostatic attraction between the nanocomposite and bacteria (methicillin resistant staphylococcus aureus, MRSA), specific detection of MRSA and monitoring of the molecular structure changes after bacteriostaticeffect were realized by SERS. Important intermediates produced in the bacteriostatic process were also measured at the same time. The relationship between the relative peak intensities and the structure of MRSA were thus established. The results were verified by high performance liquid chromatography-mass spectrometry (HPLC-MS), reactive oxygen species (ROS) kit, and flow cytometry. The detection strategy we proposed could not only be used for real-time detection of bacteriostatic processes with a high efficiency, but also a powerful tool for analyzing the mechanism in biochemical processes.

Convolutional Implementation and Analysis of the CFS-PML ABC for the FDTD Method Based on Wave Equation

In this letter, the convolutional implementation of the complex frequency shifted perfectly matched layer (CFS-PML) absorbing boundary condition (ABC) is proposed for the finite-difference time-domain (FDTD) method of solving wave equation. The FDTD solution time-marching formulations of the developed wave-equation convolutional CFS-PML (CPML) ABC are derived. Several numerical experiments are used to verify the capacity of the proposed algorithm. Solution results confirm that the proposed CPML ABC can obtain excellent absorption for both traveling waves and evanescent waves.

SiO2 Microsphere Array Coated by Ag Nanoparticles as Raman Enhancement Sensor with High Sensitivity and High Stability.

In this paper, a monolayer SiO2 microsphere (MS) array was self-assembled on a silicon substrate, and monolayer dense silver nanoparticles (AgNPs) with different particle sizes were transferred onto the single-layer SiO2 MS array using a liquid–liquid interface method. A double monolayer “Ag@SiO2” with high sensitivity and high uniformity was prepared as a surface-enhanced Raman scattering (SERS) substrate. The electromagnetic distribution on the Ag@SiO2 substrate was analyzed using the Lumerical FDTD (finite difference time domain) Solutions software and the corresponding theoretical enhancement factors were calculated. The experimental results show that a Ag@SiO2 sample with a AgNPs diameter of 30 nm has the maximal electric field value at the AgNPs gap. The limit of detection (LOD) is 10−16 mol/L for Rhodamine 6G (R6G) analytes and the analytical enhancement factor (AEF) can reach ~2.3 × 1013. Our sample also shows high uniformity, with the calculated relative standard deviation (RSD) of ~5.78%.

Near Infrared Metal-insulator-metal Surface Plasmon Resonances for Refractive Index Sensors

This work reports the optical properties of surface plasmon resonance (SPR) based on the metal-insulator-metal (MIM) structure towards a refractive index sensor. The MIM-SPR structure operating near infrared region consists of lateral periodicity of subwavelength gold patterns placed on a stack of thin silica spacer and silver film (acting as a reflector) on a silicon substrate. The reflection spectra and the electric field distributions of MIM-SPR structures can be tuned by modifying the geometrical properties and have been numerically investigated by using Lumerical’s finite-difference time-domain (FDTD) solutions. The square lattice configuration of 1200 nm to 1400 nm pitch of gold micro-disks of thickness from 80 nm to 120 nm have been conducted. The size of these considered gold patterns, i.e., the diameter of the micro-disks is in the range of 900 nm to 1000 nm. The proposed MIM-SPR structure possessing sensitivity of 370 nm per refractive index unit (RIU), can be applicable for a wide variety of plasmonic sensing, in particular for refractometric biosensors.

High Performance Polymer Solar Cells Using Grating Nanostructure and Plasmonic Nanoparticles.

This work introduces a high-efficiency organic solar cell with grating nanostructure in both hole and electron transport layers and plasmonic gold nanoparticles (Au NPs) distributed on the zinc oxide (ZnO) layer. The periods of the grating structure in both hole and electro transport layers were optimized using Lumerical finite difference time domain (FDTD) solution software. The optimum AuNP radius distributed on the ZnO layer was also simulated and analyzed before studying the effect of changing the temperature on the solar cell performance, fill factor, and power conversion efficiency. In addition, optical and electrical models were used to calculate the short circuit current density, fill factor, and overall efficiency of the produced polymer solar cell nanostructure. The maximum obtained short circuit current density and efficiency of the solar cell were 18.11 mA/cm2 and 9.46%, respectively, which gives a high light absorption in the visible region. Furthermore, the effect of light polarization for incident light angles from θ = 0° to 70° with step angle 10° on the electrical and optical parameters were also studied. Finally, optical power, electric field, and magnetic field distribution inside the nanostructure are also illustrated.

Spectral modulation of blocked-impurity-band hybrid structure terahertz detector

This paper is a study composed of experiment and simulation. We conceived a blocked-impurity-band hybrid structure for terahertz radiation detection. The modulation effect of sub-wavelength metal grating on light absorption has been analyzed theoretically. The optical absorption and spectral response of sub-wavelength metal grating/Si:P blocked-impurity-band hybrid structure detectors are simulated by Finite Difference-Time Domain solution. Compared with the detector without grating structure, the hybrid structure detectors have the effects of selective absorption amplification and filtering. Moreover, the fabrication and experimental details of the hybrid structure detectors have been investigated. The results show that the response peak wavelength 18.3 μm of the Si:P blocked-impurity-band detector has been modulated to 14.3, 22.8, 28.2, and 33.1 μm (∼9.1 THz). Especially, about 140% absorption enhancement is achieved at the response peak wavelength 28.2 μm. Furthermore, the modulation mechanisms of spectral responses on operation bias voltages and temperatures have also been studied. This study provided an effective method to modulate the spectral response of the Si:P BIB detector.

Simultaneous time domain nonlinear EMS analysis of a LNA complete circuit illuminated by an interfering pulse using 3D-FDTD method

This paper proposes a new approach to analyze the susceptibility of a low noise amplifier (LNA) against an electromagnetic pulse in both linear and nonlinear regimes. In this method, simultaneous analysis of the passive parts of the amplifier together with its active part is performed at each time step in a modified finite difference time domain (FDTD) solution to increase the accuracy. First, an EEHEMT based non-linear equivalent circuit model is extracted to represent the transistor. Then, the achieved model is inserted into a three dimensional FDTD solution. Finally, the whole amplifier is analyzed when an electromagnetic pulse impinges the circuit. The proposed method can be used to predict the electromagnetic susceptibility (EMS) of an LNA illuminated by a high power interfering wave that could drive it into the nonlinear regime. The method is applied to a designed and manufactured LNA with the ATF-34143 transistor. Measurements are performed to validate the method in the linear regime. The results show a good agreement between the proposed method and the measurements. Also, the presented method is validated in the non-linear regime by comparing its results with a presented hybrid method.

Morphing for faster computations with finite difference time domain algorithms

In the framework of wave propagation, finite difference time domain (FDTD) algorithms, yield high computational time. We propose to use morphing algorithms to deduce some approximate wave pictures of their interactions with fluid-solid structures of various shapes and different sizes deduced from FDTD computations of scattering by solids of three given shapes: triangular, circular and elliptic ones. The error in theL2norm between the FDTD solution and approximate solution deducedviamorphing from the source and destination images are typically less than 1% if control points are judiciously chosen. We thus propose to use a morphing algorithm to deduce approximate wave pictures: at intermediate time steps from the FDTD computation of wave pictures at a time step before and after this event, and at the same time step, but for an average frequency signal between FDTD computation of wave pictures with two different signal frequencies. We stress that our approach might greatly accelerate FDTD computations as discretizations in space and time are inherently linkedviathe Courant–Friedrichs–Lewy stability condition. Our approach requires some human intervention since the accuracy of morphing highly depends upon control points, but compared to the direct computational method our approach is much faster and requires fewer resources. We also compared our approach to some neural style transfer (NST) algorithm, which is an image transformation method based on a neural network. Our approach outperforms NST in terms of theL2norm, Mean Structural SIMilarity, expected signal to error ratio.

Precise-Integration Time-Domain Formulation for Optical Periodic Media.

A numerical formulation based on the precise-integration time-domain (PITD) method for simulating periodic media is extended for overcoming the Courant-Friedrich-Levy (CFL) limit on the time-step size in a finite-difference time-domain (FDTD) simulation. In this new method, the periodic boundary conditions are implemented, permitting the simulation of a wide range of periodic optical media, i.e., gratings, or thin-film filters. Furthermore, the complete tensorial derivation for the permittivity also allows simulating anisotropic periodic media. Numerical results demonstrate that PITD is reliable and even considering anisotropic media can be competitive compared to traditional FDTD solutions. Furthermore, the maximum allowable time-step size has been demonstrated to be much larger than that of the CFL limit of the FDTD method, being a valuable tool in cases in which the steady-state requires a large number of time-steps.

Epsilon-near-zero material integrated trapezoid gold nanoantenna with wideband high absorption

In this paper, a new structure of nanoantenna has been designed, which uses a kind of Epsilon-Near-Zero (ENZ) material film (Indium Tin Oxide, ITO) and trapezoid metal to achieve high absorption (above 90%) effect for the incident light between 1310 nm and 1550 nm of the wavelength. The results have been put to the proof with the method of Finite Difference Time Domain (FDTD) Solutions. The nanoantenna we design can be applied to single photon detectors of which operating wavelength are 1310 nm or 1550 nm. Meanwhile, by tuning the carrier concentration of ITO, the operating range of the nanoantenna can be changed, which further upgrades the practicability of the nanoantenna.

Numerical Modelling of TEM Fields by the Edge-Based Finite Element Method Using Tetrahedral Element for Central Rectangular Loops

In this study, we have implemented an edge-based finite element method for the numerical modeling of the transient electromagnetic method. We took the Helmholtz equation of the electric field as the governing equation for the edge-based finite element analysis. The modeling domain was discretized using linear tetrahedral mesh supported by Whitney-type vector basis functions. We inferred the equations by applying the Galerkin method. The system of equation was solved using a corrected version of the Bi Conjugate Gradient Stabilized Method (BiCGStab) algorithm to reduce the computational time. We obtained numerical solution for electric field in the Laplace domain; then the field was transformed into the time domain using the Gaver-Stehfest algorithm. Following this, the impulse response of the magnetic field was obtained through the Faraday law of electromagnetic induction as it is considerably more stable and computationally more efficient than inversion using the Fourier Transform. 3D geoelectric models were used to investigate the convergence of the edge-based finite element method with the analytic solution. The results are in good agreement with the analytical solution value for two resistivity contrasts in the 3D geoelectric brick model. We also compared the results of tetrahedral elements with the brick element in the 3D horizontal sheet and 3D conductive brick model. The results indicated that these two elements show very similar errors, but tetrahedral reflects fewer relative errors. For the low resistivity geoelectric model, numerical checks against the analytical solution, integral-equation method, and finite-difference time-domain solutions showed that the solutions would provide accurate results.