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Simulating charge transport in organic semiconductors and devices: a review
C Groves - Reports on Progress in Physics, 2016 - iopscience.iop.org
Charge transport simulation can be a valuable tool to better understand, optimise and
design organic transistors (OTFTs), photovoltaics (OPVs), and light-emitting diodes (OLEDs) …
design organic transistors (OTFTs), photovoltaics (OPVs), and light-emitting diodes (OLEDs) …
Large-scale statistical learning for mass transport prediction in porous materials using 90,000 artificially generated microstructures
Effective properties of functional materials crucially depend on their 3D microstructure. In this
paper, we investigate quantitative relationships between descriptors of two-phase …
paper, we investigate quantitative relationships between descriptors of two-phase …
Stochastic microstructure modeling and electrochemical simulation of lithium-ion cell anodes in 3D
Thermodynamically consistent transport theory is used to compare 3D images of real anode
microstructures from lithium-ion batteries to virtual ones created by a parametric stochastic …
microstructures from lithium-ion batteries to virtual ones created by a parametric stochastic …
Inverse design of anisotropic spinodoid materials with prescribed diffusivity
The three-dimensional microstructure of functional materials determines its effective
properties, like the mass transport properties of a porous material. Hence, it is desirable to …
properties, like the mass transport properties of a porous material. Hence, it is desirable to …
Stochastic 3D modeling of the microstructure of lithium-ion battery anodes via Gaussian random fields on the sphere
The performance and durability of lithium-ion batteries are highly dependent on the
microstructures of their components. Recently, methods have been developed that make …
microstructures of their components. Recently, methods have been developed that make …
Accurate modeling and evaluation of microstructures in complex materials
P Tahmasebi - Physical Review E, 2018 - APS
Accurate characterization of heterogeneous materials is of great importance for different
fields of science and engineering. Such a goal can be achieved through imaging. Acquiring …
fields of science and engineering. Such a goal can be achieved through imaging. Acquiring …
Stochastic 3D microstructure modeling of anodes in lithium-ion batteries with a particular focus on local heterogeneity
B Prifling, M Ademmer, F Single, O Benevolenski… - Computational Materials …, 2021 - Elsevier
Lithium-ion batteries can be considered as one of the most important energy storing devices.
To satisfy the rapidly growing demand for higher energy densities, as for example required …
To satisfy the rapidly growing demand for higher energy densities, as for example required …
MULTIBAT: Unified workflow for fast electrochemical 3D simulations of lithium-ion cells combining virtual stochastic microstructures, electrochemical degradation …
We present a simulation workflow for efficient investigations of the interplay between 3D
lithium-ion electrode microstructures and electrochemical performance, with emphasis on …
lithium-ion electrode microstructures and electrochemical performance, with emphasis on …
On a pluri-Gaussian model for three-phase microstructures, with applications to 3D image data of gas-diffusion electrodes
A pluri-Gaussian model for three-phase microstructures is presented and relationships
between model parameters and microstructure characteristics are discussed. In particular …
between model parameters and microstructure characteristics are discussed. In particular …
Fitting Laguerre tessellation approximations to tomographic image data
The analysis of polycrystalline materials benefits greatly from accurate quantitative
descriptions of their grain structures. Laguerre tessellations approximate such grain …
descriptions of their grain structures. Laguerre tessellations approximate such grain …