Christoph Kirsch

Nonreflecting boundary condition for time-dependent multiple scattering

An exact nonreflecting boundary condition (NBC) is derived for the numerical solution of time-dependent multiple scattering problems in three space dimensions, where the scatterer consists of several disjoint components. Because each sub-scatterer can be enclosed by a separate artificial boundary, the computational effort is greatly reduced and becomes independent of the relative distances between the different sub-domains. In fact, the computational work due to the NBC only requires a fraction of the computational work inside @W, due to any standard finite difference or finite element method, independently of the mesh size or the desired overall accuracy. Therefore, the overall numerical scheme retains the rate of convergence of the interior scheme without increasing the complexity of the total computational work. Moreover, the extra storage required depends only on the geometry and not on the final time. Numerical examples show that the NBC for multiple scattering is as accurate as the NBC for a single convex artificial boundary [M.J. Grote, J.B. Keller, Nonreflecting boundary conditions for time-dependent scattering, J. Comput. Phys. 127(1) (1996), 52-65], while being more efficient due to the reduced size of the computational domain.

Effects of nano-patterned versus simple flat active layers in upright organic photovoltaic devices

A scalable procedure for nano-patterning the bulk heterojunction layer in organic photovoltaic (OPV) devices is reported. Nano-patterning is shown to increase light absorption in poly(3-hexylthiophene) : [6,6]-phenyl-C61-butyric acid methyl ester (P3HT : PCBM) devices (ITO\WO3\P3HT : PCBM\Ca\Al). Nano-patterning also modifies electric fields in OPV devices, thus affecting charge harvesting. Nano-patterned OPV devices with a power conversion efficiency of 4% are presented. Comparable efficiencies are also obtained by optimization of thicknesses in a flat-layer device. Trade-offs between absorption enhancement and charge harvesting deterioration induced by nano-patterning are discussed as well as possible optimization strategies.

Influence of chemically p-type doped active organic semiconductor on the film thickness versus performance trend in cyanine/C60 bilayer solar cells

Abstract Simple bilayer organic solar cells rely on very thin coated films that allow for effective light absorption and charge carrier transport away from the heterojunction at the same time. However, thin films are difficult to coat on rough substrates or over large areas, resulting in adverse shorting and low device fabrication yield. Chemical p-type doping of organic semiconductors can reduce Ohmic losses in thicker transport layers through increased conductivity. By using a Co(III) complex as chemical dopant, we studied doped cyanine dye/C60 bilayer solar cell performance for increasing dye film thickness. For films thicker than 50 nm, doping increased the power conversion efficiency by more than 30%. At the same time, the yield of working cells increased to 80%. We addressed the fate of the doped cyanine dye, and found no influence of doping on solar cell long term stability.

Pore Network Simulations of Heat and Mass Transfer inside an Unsaturated Capillary Porous Wick in the Dry-out Regime

In this work, a two-dimensional pore network model is developed to study the heat and mass transfer inside a capillary porous wick with opposite replenishment in the dry-out regime. The mass flow rate in each throat of the pore network is computed according to the Hagen–Poiseuille law, and the heat flux is calculated based on Fourier’s law with an effective local thermal conductivity. By coupling the heat and the mass transfer, a numerical method is devised to determine the evolution of the liquid–vapor interface. The model is verified by comparing the effective heat transfer coefficient versus heat load with experimental observations. For increasing heat load, an inflation/deflation of the vapor pocket is observed. The influences of microstructural properties on the vapor pocket pattern and on the effective heat transfer coefficient are discussed: A porous wick with a non-uniform or bimodal pore size distribution results in a larger heat transfer coefficient compared to a porous wick with a uniform pore size distribution. The heat and mass transfer efficiency of a porous wick comprised of two connected regions of small and large pores is also examined. The simulation results indicate that the introduction of a coarse layer with a suitable thickness strongly enhances the heat transfer coefficient.

Simulated annealing electro-photonic optimization of organic solar cells

Micro-patterned organic solar cells can exhibit enhanced light absorption properties due to a photonic crystal effect [Tumbleston et al., Appl. Phys. Lett. 94, 043305 (2009)]. Here, a three-dimensional model of light absorption and charge carrier transport in micro-patterned materials is presented and applied to the design of organic bulk heterojunction (BHJ) solar cells. Rigorous coupled wave analysis is used to simulate the multiple scattering and absorption of light in a layered solar cell device. The non-linearly coupled steady-state electric field and charge transport equations are solved iteratively by a sequence of linear partial differential equations (PDEs). Each linear PDE is discretized by an exponential upwind finite difference scheme, and the preconditioned conjugate gradient method is applied to the resulting algebraic system. The electro-photonic solver is coupled with the simulated annealing optimization algorithm to investigate the effect of micro-patterning upon performance of BHJ solar ...

Micro-scale fluid model for drying of highly porous particle aggregates

Abstract A discrete three-dimensional model for the fluid flow and phase transition at the microscopic scale during convective drying of highly porous particle aggregates has been developed. The phase distributions are described by time-dependent cell volume fractions on a stationary cubic mesh. The solid phase volume fractions are computed from an arbitrary collection of spherical primary particles generated by gravitational deposition using the discrete element method. The volume of fluid method is used to track the liquid–gas interface over time. Local evaporation rates are computed from a finite difference solution of a vapor diffusion problem in the gas phase, and the liquid–gas interface dynamics is described by volume-conserving mean curvature flow, with an additional equilibrium contact angle condition along the three-phase contact lines. The evolution of the liquid distribution over time for different wetting properties of the solid surface as well as binary liquid bridges between solid particles are presented.

Discrete pore network modeling of superheated steam drying

ABSTRACT A nonisothermal two-dimensional pore network model is developed to describe the superheated steam drying of a capillary porous medium. The complex void space is approximated by a network of spherical pores interconnected by cylindrical throats. In this model, the condensation of water vapor at the network surface as well as the network drying are taken into account. During the network drying period, the liquid transport is driven by capillary action, whereas vapor transport occurs because of convection. The condensation of water vapor within the pores is modeled based on newly formulated liquid invasion rules. The simulation results, presented as temperature and moisture content profiles over time, indicate qualitative agreement with available experimental observations. The inclusion of the liquid invasion rules is shown to accommodate more of the condensed water mass compared to earlier models, in which condensation is only partly treated. Due to the viscous vapor flow, the vapor overpressure within the network, which is the driving force of vapor transport, is reproduced in these simulations. The influence of vapor overpressure on the disintegration of the liquid phase is also discussed.

Electrothermal Simulation of Large-Area Semiconductor Devices

The lateral charge transport in thin-film semiconductor devices is affected by the sheet resistance of the various layers. This may lead to a non-uniform current distribution across a large-area device resulting in inhomogeneous luminance, for example, as observed in organic light-emitting diodes (Neyts et al., 2006). The resistive loss in electrical energy is converted into thermal energy via Joule heating, which results in a temperature increase inside the device. On the other hand, the charge transport properties of the device materials are also temperature-dependent, such that we are facing a two-way coupled electrothermal problem. It has been demonstrated that adding thermal effects to an electrical model significantly changes the results (Slawinski et al., 2011). We present a mathematical model for the steady-state distribution of the electric potential and of the temperature across one electrode of a large-area semiconductor device, as well as numerical solutions obtained using the finite element method.

Numerical Investigation of the Thermal Properties of Irregular Foam Structures

The thermal properties of irregular open-cell and closed-cell metal foams are investigated via numerical simulation. The influence of relative density and cell irregularity on the thermal conductivity and thermal expansion of the foam structure is determined. It is concluded that the effective thermal conductivity of the foam structure depends linearly on the relative density, whereas no dependence on the degree of irregularity is observed. The effective thermal expansion coefficient of the foam structure is constant for the range of parameters considered.

Quantitative analysis of pixel crosstalk in AMOLED displays

ABSTRACT The resolution of organic light-emitting diode (OLED) displays is increasing steadily as these displays are adopted for mobile and virtual reality (VR) devices. This leads to a stronger pixel crosstalk effect, where the neighbors of active pixels unintentionally emit light due to a lateral electric current between the pixels. Recently, the crosstalk was quantified by measuring the current flowing through the common hole transport layer between the neighboring pixels and comparing it to the current through the active pixel diode [S.-K. Kwon, K.-S. Kim, H.-C. Choi and J. H. Kwon, presented at the International Meeting on Information Display, Jeju, South Korea, 2016]. The measurements showed that the crosstalk is more crucial for low light levels. In such cases, the intended and parasitic currents are similar. The simulations performed in this study validated these measurement results. By simulations, we quantify the crosstalk current through the diode. The luminous intensity can be calculated with the measured current efficiency of the diodes. For low light levels, the unintended luminance can reach up to 40% of the intended luminance. The luminance due to pixel crosstalk is perceivable by humans. This effect should be considered for OLED displays with resolutions higher than 300 PPI.