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[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 …
Data science of the in silico crystallization
AV Redkov - Acta Materialia, 2025 - Elsevier
A data-driven approach is used to describe the growth of crystals and thin films based on
high-throughput numerical experiments. This way the Machine Learning (ML) helps to …
high-throughput numerical experiments. This way the Machine Learning (ML) helps to …
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
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 …
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 …
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) …
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 …
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 …
Erratum: Lattice gas study of thin-film growth scenarios and transitions between them: Role of substrate [Phys. Rev. E 103, 023302 (2021)]
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 …
Analysis of specular reflectivity of thin films using machine learning
A Greco - 2024 - tobias-lib.ub.uni-tuebingen.de
X-ray and neutron scattering encompass a large variety of complementary and non-invasive
measurement techniques that are used to study a large range of materials. The continued …
measurement techniques that are used to study a large range of materials. The continued …