Related papers: Multiscale Modeling and Simulation of Organic Sola…
This study investigates the impact of exchange-correlation functional choices on the predictive accuracy of multiscale models for charge transport in organic semiconductors (OSCs). A hybrid functional approach is applied to analyze…
Many recent advances in metal halide perovskite solar cell (PSC) performance are attributed to surface treatments which passivate interfacial trap states, minimise charge recombination and boost photovoltages. Surprisingly, these…
Numerical simulations for flow and transport in subsurface porous media often prove computationally prohibitive due to property data availability at multiple spatial scales that can vary by orders of magnitude. A number of model order…
Random spatial models are attractive for modeling heterogeneous cellular networks (HCNs) due to their realism, tractability, and scalability. A major limitation of such models to date in the context of HCNs is the neglect of network traffic…
We develop a modeling and simulation framework capable of massively parallel simulation of multicellular systems with spatially resolved stochastic kinetics in individual cells. By the use of operator-splitting we decouple the simulation of…
Interest in organic solar cells (OSCs) is constantly rising in the field of photovoltaic devices. The device performance relies on the bulk heterojunction (BHJ) nanomorphology, which develops during the drying process and additional…
Simulation in media with multiple continua where each continuum interacts with every other is often challenging due to multiple scales and high contrast. One needs some types of model reduction. One of the approaches is multi-continuum…
To attain the targeted data rates of next generation cellular networks requires dense deployment of small cells in addition to macro cells which provide wide coverage. Dynamic radio resource management is crucial to the success of such…
A multi-timescale hybrid model is proposed to study microscopically the degraded performance of electronic devices, covering three individual stages of radiation effects studies, including ultrafast displacement cascade, intermediate defect…
The effective, fast transport of matter through porous media is often characterized by complex dispersion effects. To describe in mathematical terms such situations, instead of a simple macroscopic equation (as in the classical Darcy's…
We use the three-dimensional hydrodynamic code of Stein and Nordlund to realistically simulate the upper layers of the solar convection zone in order to study physical characteristics of solar oscillations. Our first result is that the…
Computation of biological processes creates great promise for everyday life and great challenges for physical scientists. Simulations of molecular dynamics appeal to biologists as a natural extension of structural biology. Once biologists…
Interpreting the impedance response of perovskite solar cells (PSC) is significantly more challenging than for most other photovoltaics. This is for a variety of reasons, of which the most significant are the mixed ionic-electronic…
Non-planar solar-cell devices have been promoted as a means to enhance current collection in absorber materials with charge-transport limitations. This work presents an analytical framework for assessing the ultimate performance of…
Hot-carrier solar cells use the photon excess energy, that is, the energy exceeding the absorber bandgap, to do additional work. These devices have the potential to beat the upper limit for the photovoltaic power conversion efficiency set…
In this paper homogenization of a mathematical model for biomechanics of a plant tissue with randomly distributed cells is considered. Mechanical properties of a plant tissue are modelled by a strongly coupled system of…
Cellular patterns formed by self-organization of dislocations are a most conspicuous feature of dislocation microstructure evolution during plastic deformation. To elucidate the physical mechanisms underlying dislocation cell structure…
The paper presents two-scale numerical algorithms for stress-strain analysis of porous media featured by self-contact at pore level. The porosity is constituted as a periodic lattice generated by a representative cell consisting of elastic…
In this paper, we develop a multiscale hierarchy framework for objective molecular dynamics (OMD), a reduced order molecular dynamics with a certain symmetry, that connects it to the statistical kinetic equation, and the macroscopic…
I represent results three-dimensional numerical simulation of solar surface convection on scales local supergranulation with realistic model physics. I study thermal structure of convective motions in photosphere, the range of convection…