[HTML][HTML] AI-enabled materials discovery for advanced ceramic electrochemical cells
Ceramic electrochemical cells (CECs) are promising devices for clean and efficient energy
conversion and storage due to their high energy efficiency, more extended system durability …
conversion and storage due to their high energy efficiency, more extended system durability …
Spiral growth of multicomponent crystals: theoretical aspects
A Redkov - Frontiers in Chemistry, 2023 - frontiersin.org
This paper presents recent advances in the theory of multicomponent crystal growth from
gas or solution, focusing on the most common step-flow mechanisms: Burton-Cabrera …
gas or solution, focusing on the most common step-flow mechanisms: Burton-Cabrera …
Cocrystal Growth in Organic Semiconductor Thin Films: Simulation of Pentacene, Perfluoropentacene, and Their 1: 1 Blend Deposited On Graphite
E Lorini, L Soprani, L Muccioli - Advanced Theory and …, 2023 - Wiley Online Library
The understanding of crystal formation in thin films and the precise knowledge of the relation
between structure and surface diffusion are two important requirements for the efficient …
between structure and surface diffusion are two important requirements for the efficient …
Structure Formation of C60 on Insulating CaF2 Substrates: Matching Experiments with Simulations
W Janke, L Höltkemeier, A Kühnle… - Advanced Materials …, 2022 - Wiley Online Library
The epitaxial growth of metallic thin films has been studied intensively, leading to
computational models that can predict diverse morphologies depending on thermodynamic …
computational models that can predict diverse morphologies depending on thermodynamic …
The Crystallization of Disordered Materials under Shock Is Governed by Their Network Topology
When the shock load is applied, materials experience incredibly high temperature and
pressure conditions on picosecond timescales, usually accompanied by remarkable …
pressure conditions on picosecond timescales, usually accompanied by remarkable …
Interplay of orientational order and roughness in simulated thin film growth of anisotropically interacting particles
E Empting, N Bader, M Oettel - Physical Review E, 2022 - APS
Roughness and orientational order in thin films of anisotropic particles are investigated
using kinetic Monte Carlo simulations on a cubic lattice. Anisotropic next-neighbor …
using kinetic Monte Carlo simulations on a cubic lattice. Anisotropic next-neighbor …
Machine learning as a tool to accelerate the search for new materials for metal-ion batteries
VT Osipov, MI Gongola, YA Morkhova, AP Nemudryi… - Doklady …, 2023 - Springer
The search for new solid ionic conductors is an important topic of material science that
requires significant resources, but can be accelerated using machine learning (ML) …
requires significant resources, but can be accelerated using machine learning (ML) …
Erratum: Lattice gas study of thin-film growth scenarios and transitions between them: Role of substrate [Phys. Rev. E 103, 023302 (2021)]
E Empting, M Klopotek, A Hinderhofer, F Schreiber… - Physical Review E, 2022 - APS
In this paper we argued that the use of relatively low values for both and ϵ0 gives
information for higher, ϵ0 by invoking a scaling argument for island densities in …
information for higher, ϵ0 by invoking a scaling argument for island densities in …
Thin film growth of isotropically and anisotropically interacting particles with lattice KMC simulations
EHB Empting - 2022 - tobias-lib.ub.uni-tuebingen.de
We performed the simulation studies presented in this thesis with the goal of better
understanding the behavior of a thin film growing on a substrate. We used the Kinetic Monte …
understanding the behavior of a thin film growing on a substrate. We used the Kinetic Monte …