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Papers matching “computer simulation” 108

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Coarse-Grained Physics-based Modelling for Tape Casting of Fuel-Electrode Supports in Solid Oxide Cells
2025 ChemRxiv preprint Materials Science Advancements in Solid Oxide Fuel Cells Open access

Tan Le-Dinh, Mohammed Alabdali, Franco M. Zanotto, Hartmut Schlenz, Norbert Heribert Menzler, Olivier Guillon, +1 more

0

citations
Ultrafine Fe-Fe2Ti eutectics by directed energy deposition: Insights into microstructure formation based on experimental techniques and phase field modelling
2020 Additive manufacturing article Materials Science Solidification and crystal growth phenomena Open access

Guillermo Carlos Requena, Katrin Bugelnig, Federico Sket, Srdjan Milenković, Georg Rödler, Andreas Weisheit, +8 more

16

citations
Machine Learning-based estimation and explainable artificial intelligence-supported interpretation of the critical temperature from magnetic ab initio Heusler alloys data
2025 Physical Review Materials article Materials Science Machine Learning in Materials Science Open access

Robin Hilgers, Daniel Wortmann, Stefan Blügel

9

citations
Selection of Dedicated As-Cast Microstructures in Zn-Al-Cu Alloys for Bearing Applications Supported by Phase-Field Simulations
2020 Metals article Materials Science Solidification and crystal growth phenomena Open access

Steffen Gimmler, Markus Apel, Andreas Bührig–Polaczek

7

citations
Machine Learning-based estimation and explainable artificial intelligence-supported interpretation of the critical temperature from magnetic ab initio Heusler alloys data
2023 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access

Robin Hilgers, Daniel Wortmann, Stefan Blügel

4

citations
Phase change materials based nanophotonics: multiphysics analysis
2023 Active Photonic Platforms (APP) conference-paper Materials Science Phase-change materials and chalcogenides

Dmitry N. Chigrin

0

citations
Change in Structure of Amorphous Sb–Te Phase‐Change Materials as a Function of Stoichiometry
2021 physica status solidi (RRL) - Rapid Research Letters article Materials Science Phase-change materials and chalcogenides Open access

Shehzad Ahmed, Xudong Wang, Yuxing Zhou, Yuhan Chen, Liang Sun, Wei Zhang, +1 more

22

citations
Recent progress in quantitative analysis of self‐assembled peptides
2024 Exploration article Materials Science Supramolecular Self-Assembly in Materials Open access

Xiaoyao Cai, Wei Xu, Chunhua Ren, Liping Zhang, Congrou Zhang, Jianfeng Liu, +1 more

20

citations
Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper During Chemical Vapor Deposition
2024 ACS Nano article Materials Science Graphene research and applications Open access

Valentina Rein, Hao Gao, Hendrik H. Heenen, Wissal Sghaier, Anastasios C. Manikas, Christos Tsakonas, +8 more

15

citations
OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations
2021 SoftwareX software-paper Materials Science Microstructure and mechanical properties Open access

Prince Henry Serrao, Stefan Sandfeld, Aruna Prakash

13

citations
Thermodynamically consistent coupled chemo-thermo-mechanical model of interfaces in overmolded thermoplastic parts
2025 Computer Methods in Applied Mechanics and Engineering article Materials Science Polymer crystallization and properties Open access

Junhe Cui, Tiansheng Liu, Michele Valsecchi, Martin Giersberg, Hakan Çelik, Jaan‐Willem Simon, +2 more

3

citations
Oxygen diffusion in LaInO3 films grown by molecular beam epitaxy
2025 Applied Physics Letters article Materials Science Advancements in Solid Oxide Fuel Cells

Susann Liedtke, Joe Kler, Caitlin Perkampus, Sonja Ambaum, Georg A. Hoffmann, Oliver Bierwagen, +1 more

2

citations
AI‐Based Segmentation for Corrosion Risk Prediction in Carline Designs
2024 Materials and Corrosion article Materials Science Corrosion Behavior and Inhibition

Marcel Gollé‐Leidreiter, Konstantin Kapfer, Andreas Mittelbach, Julia Kowalski

2

citations
Photonics with phase-change materials: theoretical and computational perspectives
2025 Active Photonic Platforms (APP) conference-abstract Materials Science Phase-change materials and chalcogenides

Dmitry N. Chigrin

0

citations
Validation of and Simulations using a High-Temperature Electrolysis Model
2023 ECS Meeting Abstracts conference-abstract Materials Science Advancements in Solid Oxide Fuel Cells

Markus Nohl, Izaak C. Vinke, Rüdiger‐A. Eichel, Lambertus G. J. de Haart

0

citations
Thermodynamic regularization based computational framework for strain-induced crystallization
2026 Computer Methods in Applied Mechanics and Engineering article Materials Science Solidification and crystal growth phenomena Open access

Mahmood Jabareen, Vu Nguyen-Xuân, Mikhail Itskov, Jean‐Benoît Le Cam, Vu Ngoc Khiêm

0

citations
A first-principles and machine learning combined method to investigate the interfacial friction between corrugated graphene
2021 Modelling and Simulation in Materials Science and Engineering article Materials Science Machine Learning in Materials Science

Zugang Liu, Xinpeng Zhao, Heyuan Wang, Yuan Ma, Lei Gao, Haiyou Huang, +3 more

9

citations
Integration and reliable operation of liquid-gated two-dimensional field-effect transistors based on molybdenum disulfide for biohybrid computation
2025 RWTH Publications (RWTH Aachen) dissertation Materials Science 2D Materials and Applications Open access

Animesh Pratap Singh

0

citations
Phase‐Change and Ovonic Materials (Fourth Edition)
2023 physica status solidi (RRL) - Rapid Research Letters article Materials Science Phase-change materials and chalcogenides Open access

Pierre Noé, Bart Jan Kooi, Matthias Wuttig

1

citations
Kinetik des ²²⁶Ra Einbaus in das ternäre Mischkristallsystem (Ba,Sr,Ra)SO₄ - H₂O
2025 RWTH Publications (RWTH Aachen) dissertation Materials Science Nuclear materials and radiation effects Open access

Stefan Rudin

0

citations
Investigation of Heat Distribution in SOC-Stacks By Multiphysical Modeling
2022 ECS Meeting Abstracts conference-abstract Materials Science Advancements in Solid Oxide Fuel Cells

Shidong Zhang, Roland Peters, Nicolas Kruse, Robert Deja, Felix Kunz, Rüdiger‐A. Eichel

0

citations
A constitutive theory to represent non-idealities in contacting of SOC interconnect contacts
2025 RWTH Publications (RWTH Aachen) book Materials Science Advancements in Solid Oxide Fuel Cells Open access

0

citations
Phase‐Change and Ovonic Materials (Third Edition)
2022 physica status solidi (RRL) - Rapid Research Letters article Materials Science Phase-change materials and chalcogenides Open access

Pierre Noé, Bart Jan Kooi, Matthias Wuttig

0

citations
Common workflows for computing material properties using different quantum engines
2021 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access

Sebastiaan P. Huber, Emanuele Bosoni, Marnik Bercx, Augustin Degomme, Vladimir Dikan, Kristjan Eimre, +19 more

40

citations
Pyrochlore Compounds From Atomistic Simulations
2021 Frontiers in Chemistry article Materials Science Nuclear materials and radiation effects Open access

Oskar Cheong, Thomas Bornhake, Alison C. Shad, Rebekka Tesch, Mengli Sun, Zhengda He, +4 more

14

citations