Fundamental Building Blocks – Understanding plasticity in complex crystals based on their simplest, intergrown units

Project Information

FunBlocks

Grant agreement ID: 852096

DOI

10.3030/852096

Project closed

EC signature date 25 September 2019

Start date 1 June 2020

End date 30 November 2025

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 499 719,00

EU contribution

€ 1 499 719,00

Coordinated by

RHEINISCH-WESTFAELISCHE TECHNISCHE HOCHSCHULE AACHEN
Germany

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (27)

Non-basal plasticity in the μ-phase at room temperature

Author(s): W. Luo, C. Gasper, S. Zhang, P.L. Sun, N. Ulumuddin, A. Petrova, Y. Lysogorskiy, R. Drautz, Z. Xie, S. Korte-Kerzel
Published in: Acta Materialia, Issue 277, 2024, Page(s) 120202, ISSN 1359-6454
Publisher: Elsevier BV
DOI: 10.1016/j.actamat.2024.120202

Plastic deformation of Mg17Al12 at 25–250 °C – properties and dislocation mechanisms

Author(s): Martina Freund, Zhuocheng Xie, Markus Kolb, Pei-Ling Sun, Marcus Hans, Jeffrey M. Wheeler, Sandra Korte-Kerzel
Published in: Materials & Design, Issue 255, 2025, Page(s) 114151, ISSN 0264-1275
Publisher: Elsevier BV
DOI: 10.1016/j.matdes.2025.114151

Beyond Fundamental Building Blocks: Plasticity in Structurally Complex Crystals

Author(s): Tobias Stollenwerk, Pia Carlotta Huckfeldt, Nisa Zakia Zahra Ulumuddin, Malik Schneider, Zhuocheng Xie, Sandra Korte‐Kerzel
Published in: Advanced Materials, 2024, ISSN 0935-9648
Publisher: United Nations Industrial Developement Organization
DOI: 10.1002/adma.202414376

Influence of Chemical Composition on the Room Temperature Plasticity of C15 Ca-Al-Mg Laves Phases

Author(s): Martina Freund, Zhuocheng Xie, Pei-Ling Sun, Lukas Berners, Joshua Spille, Hexin Wang, Carsten Thomas, Michael Feuerbacher, Marta Lipińska-Chwałek, Joachim Mayer, Sandra Korte-Kerzel
Published in: Acta Materialia, Issue 276, 2024, Page(s) 120124, ISSN 1359-6454
Publisher: Elsevier BV
DOI: 10.2139/ssrn.4773104

Preparation of Binary and Ternary Laves and µ-Phases in the Ta–Fe(–Al) System for Property Analysis at the Microscale

Author(s): C. Gasper, I. Y. Gao, F. A. Busch, A. Ziemons, D. Beckers, H. Springer, S. Korte-Kerzel
Published in: Metallurgical and Materials Transactions A, Issue 55, 2024, Page(s) 2244-2263, ISSN 1073-5623
Publisher: ASM International
DOI: 10.1007/s11661-024-07390-z

Estimation of directional single crystal elastic properties from nano-indentation by correlation with EBSD and first-principle calculations

Author(s): Mattis Seehaus, Sang-Hyeok Lee, Tobias Stollenwerk, Jeffrey M. Wheeler, Sandra Korte-Kerzel
Published in: Materials & Design, Issue 234, 2024, Page(s) 112296, ISSN 0264-1275
Publisher: Elsevier BV
DOI: 10.1016/j.matdes.2023.112296

Plastic deformation of the CaMg2 C14-Laves phase from 50 - 250°C

Author(s): Martina Freund; Doreen Andre; Christoffer Zehnder; Hanno Rempel; Dennis Gerber; Muhammad Zubair; Stefanie Sandlöbes-Haut; James S. K.-L. Gibson; Sandra Korte-Kerzel
Published in: Materialia, Issue 1, 2021, Page(s) 101237, ISSN 2589-1529
Publisher: Elsevier
DOI: 10.1016/j.mtla.2021.101237

Redefining plasticity in a cubic intermetallic: Dislocation dynamics in the CaAl2 Laves phase

Author(s): Martina Freund, Joshua Spille, Pei-Ling Sun, Marta Lipińska-Chwałek, Joachim Mayer, Zhuocheng Xie, Sandra Korte-Kerzel
Published in: Acta Materialia, Issue 303, 2025, Page(s) 121604, ISSN 1359-6454
Publisher: Elsevier BV
DOI: 10.1016/j.actamat.2025.121604

Defects in magnesium and its alloys by atomistic simulation: Assessment of semi-empirical potentials

Author(s): Hexin Wang, Julien Guénolé, Sandra Korte-Kerzel, Talal Al-Samman, Zhuocheng Xie
Published in: Computational Materials Science, Issue 240, 2024, Page(s) 113025, ISSN 0927-0256
Publisher: Elsevier BV
DOI: 10.1016/j.commatsci.2024.113025

Exploring solute behavior and texture selection in magnesium alloys at the atomistic level

Author(s): F. Mouhib, Z. Xie, A. Atila, J. Guénolé, S. Korte-Kerzel, T. Al-Samman
Published in: Acta Materialia, Issue 266, 2024, Page(s) 119677, ISSN 1359-6454
Publisher: Elsevier BV
DOI: 10.1016/j.actamat.2024.119677

Mechanical properties and deformation mechanisms of the C14 Laves and µ-phase in the ternary Ta-Fe(-Al) system

Author(s): C. Gasper, E.M. Soysal, N. Ulumuddin, T. Stollenwerk, T. Reclik, P.L. Sun, S. Korte-Kerzel
Published in: Materials & Design, Issue 251, 2025, Page(s) 113625, ISSN 0264-1275
Publisher: Elsevier BV
DOI: 10.1016/j.matdes.2025.113625

Unveiling the mechanisms of motion of synchro-Shockley dislocations in Laves phases

Author(s): Zhuocheng Xie, Dimitri Chauraud, Achraf Atila, Erik Bitzek, Sandra Korte-Kerzel, Julien Guénolé
Published in: PHYSICAL REVIEW MATERIALS, Issue 7, 2023, Page(s) 053605, ISSN 2475-9953
Publisher: American Physical Society
DOI: 10.1103/physrevmaterials.7.053605

Laves phase crystal analysis (LaCA): Atomistic identification of lattice defects in C14 and C15 topologically close-packed phases

Author(s): Zhuocheng Xie, Dimitri Chauraud, Erik Bitzek, Sandra Korte-Kerzel, Julien Guénolé
Published in: Journal of Materials Research, Issue 36/10, 2021, Page(s) 2010-2024, ISSN 0884-2914
Publisher: Materials Research Society
DOI: 10.1557/s43578-021-00237-y

On the atomic nature of complex dislocation locks in C15 Laves phases

Author(s): Gang Liu, Sang-Hyeok Lee, Christian H. Liebscher, Siyuan Zhang, Xuyang Zhou, Jung Soo Lee, Shaolou Wei, Miquel Vega-Paredes, Peter Schweizer, Sandra Korte-Kerzel, Gerhard Dehm, Zhuocheng Xie, Frank St
Published in: Acta Materialia, Issue 303, 2025, Page(s) 121700, ISSN 1359-6454
Publisher: Elsevier BV
DOI: 10.1016/j.actamat.2025.121700

Plasticity of the C15-CaAl2 Laves phase at room temperature

Author(s): M. Freund, D. Andre, P. L. Sun, C. F. Kusche, S. Sandlöbes-Haut, H. Springer, S. Korte-Kerzel
Published in: Materials & Design, Issue 225, 2023, Page(s) 111504, ISSN 0264-1275
Publisher: Elsevier BV
DOI: 10.1016/j.matdes.2022.111504

Plasticity of the Nb-rich μ-Co7Nb6 phase at room temperature and 600°C

Author(s): W. Luo; Z. Xie; P.-L. Sun; J.S.K.-L. Gibson; S. Korte-Kerzel
Published in: Acta materialia, Issue 246, 2023, Page(s) 118720, ISSN 1359-6454
Publisher: Elsevier BV
DOI: 10.1016/j.actamat.2023.118720

First-principles insights into the site occupancy of Ta–Fe–Al C14 Laves phases

Author(s): Nisa Ulumuddin, Sandra Korte-Kerzel, Zhuocheng Xie
Published in: Computational Materials Science, Issue 253, 2025, Page(s) 113856, ISSN 0927-0256
Publisher: Elsevier BV
DOI: 10.1016/j.commatsci.2025.113856

Dislocation-mediated plasticity in the Al2Cu θ-phase

Author(s): D. Andre, Z. Xie, F. Ott, J.T. Pürstl, N. Lohrey, W.J. Clegg, S. Sandlöbes-Haut, S. Korte-Kerzel
Published in: Acta Materialia, Issue 209, 2021, Page(s) 116748, ISSN 1359-6454
Publisher: Elsevier BV
DOI: 10.1016/j.actamat.2021.116748

On the Temperature and Composition Dependence of Non‐basal Stacking Faults in C14 Laves Phases

Author(s): Zhuocheng Xie, Dimitri Chauraud, Erik Bitzek, Sandra Korte‐Kerzel, Julien Guénolé
Published in: Advanced Engineering Materials, 2024, ISSN 1438-1656
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/adem.202400885

Tailoring the Plasticity of Topologically Close-Packed Phases via the Crystals’ Fundamental Building Blocks

Author(s): Wei Luo, Zhuocheng Xie, Siyuan Zhang, Julien Guénolé, Pei-Ling Sun, Arno Meingast, Amel Alhassan, Xuyang Zhou, Frank Stein, Laurent Pizzagalli, Benjamin Berkels, Christina Scheu, Sandra Korte-Kerzel
Published in: Advanced Materials, Issue 35, 2023, Page(s) 2300586, ISSN 1521-4095
Publisher: Wiley
DOI: 10.1002/adma.202300586

Thermally activated nature of synchro-Shockley dislocations in Laves phases

Author(s): Zhuocheng Xie, Dimitri Chauraud, Achraf Atila, Erik Bitzek, Sandra Korte-Kerzel, Julien Guénolé
Published in: Scripta Materialia, Issue 235, 2023, Page(s) 115588, ISSN 1359-6462
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.scriptamat.2023.115588

Finding and Characterising Active Slip Systems: A Short Review and Tutorial with Automation Tools.

Author(s): James S.K.-L. Gibson; Risheng Pei; Martin Heller; Setareh Medghalchi; Wei Luo; Sandra Korte-Kerzel
Published in: Materials, Issue 14(2), 2021, Page(s) 407, ISSN 1996-1944
Publisher: MDPI Open Access Publishing

Atomistic insights into the inhomogeneous nature of solute segregation to grain boundaries in magnesium

Author(s): Risheng Pei, Zhuocheng Xie, Sangbong Yi, Sandra Korte-Kerzel, Julien Guénolé, Talal Al-Samman
Published in: Scripta Materialia, Issue 230, 2023, Page(s) 115432, ISSN 1359-6462
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.scriptamat.2023.115432

Predicting grain boundary segregation in magnesium alloys: An atomistically informed machine learning approach

Author(s): Zhuocheng Xie, Achraf Atila, Julien Guénolé, Sandra Korte-Kerzel, Talal Al-Samman, Ulrich Kerzel
Published in: Journal of Magnesium and Alloys, Issue 13, 2025, Page(s) 2636-2650, ISSN 2213-9567
Publisher: Elsevier BV
DOI: 10.1016/j.jma.2025.03.021

Grain boundary segregation spectrum in basal-textured Mg alloys: From solute decoration to structural transition

Author(s): Anumoy Ganguly, Hexin Wang, Julien Guénolé, Aruna Prakash, Sandra Korte-Kerzel, Talal Al-Samman, Zhuocheng Xie
Published in: Acta Materialia, Issue 283, 2024, Page(s) 120556, ISSN 1359-6454
Publisher: Elsevier BV
DOI: 10.1016/j.actamat.2024.120556

Nanoscale mechanisms limiting non-basal plasticity in magnesium

Author(s): Jiwon Jeong, Zhuocheng Xie, Markus Alfreider, Sandra Korte-Kerzel, Daniel Kiener, Julien Guénolé, Sang Ho Oh
Published in: Acta Materialia, Issue 296, 2025, Page(s) 121261, ISSN 1359-6454
Publisher: Elsevier BV
DOI: 10.1016/j.actamat.2025.121261

Dislocation-mediated plasticity in the intermetallic SmCo5 phase

Author(s): Tobias Stollenwerk, Nisa Zakia Zahra Ulumuddin, Pei-Ling Sun, Sang-Hyeok Lee, Mattis Seehaus, Konstantin Skokov, Oliver Gutfleisch, Zhuocheng Xie, Sandra Korte-Kerzel
Published in: Acta Materialia, Issue 266, 2024, Page(s) 119669, ISSN 1359-6454
Publisher: Elsevier BV
DOI: 10.1016/j.actamat.2024.119669

Other (9)

Plasticity of the Al$_{2}$Cu {\theta}-phase from ambient temperature to 300{\deg}C

Author(s): Andre, D.; Gibson, J. S. K. -L.; Sun, P. -L.; Lohrey, N.; Sandlöbes-Haut, S.; Korte-Kerzel, S.
Published in: 2021
Publisher: arxiv
DOI: 10.48550/arxiv.2112.06516

Predicting Grain Boundary Segregation in Magnesium Alloys: An Atomistically Informed Machine Learning Approach

Author(s): Zhuocheng Xie, Achraf Atila, Julien Guénolé, Sandra Korte-Kerzel, Talal Al-Samman, Ulrich Kerzel
Published in: 2024
Publisher: arXiv
DOI: 10.48550/arxiv.2407.14148

Slip_system_analysis_tools (Open Code/Software)

Author(s): Gibson, J.S.K.-L.; Pei, R.; Heller, M.; Medghalchi, S.; Luo,W.; Korte-Kerzel, S.
Published in: 2021
Publisher: Zenodo
DOI: 10.5281/zenodo.4581088

Laves phase Crystal Analysis (LaCA) - Open Code (Software)

Author(s): Zhuocheng Xie, Dimitri Chauraud, Erik Bitzek, Sandra Korte-Kerzel, Julien Guénolé
Published in: 2021
Publisher: Zenodo
DOI: 10.5281/zenodo.4560051

Periodic linear complexions: Co-segregation of solutes at a low-angle grain boundary in a magnesium alloy

Author(s): Pei, Risheng; Xie, Zhuocheng; Atila, Achraf; Anoldi, Simon; Xiao, Lei; Liu, Xiaoqing; Wang, Hexin; Korte-Kerzel, Sandra; Guénolé, Julien; Al-Samman, Talal
Published in: 2023
Publisher: arxiv
DOI: 10.48550/arxiv.2310.11084

Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows

Author(s): Khalil Rejiba, Sang-Hyeok Lee, Christina Gasper, Martina Freund, Sandra Korte-Kerzel, Ulrich Kerzel
Published in: 2025
Publisher: arxiv
DOI: 10.48550/arxiv.2511.01942

First-Principles Insights into the Site Occupancy and Stability of Ta-Fe-Al C14 Laves Phases

Author(s): Nisa Ulumuddin, Sandra Korte-Kerzel, Zhuocheng Xie
Published in: 2024
Publisher: arXiv
DOI: 10.48550/arxiv.2411.14575

Chemically tailored planar defect phases in the Ta-Fe μ-phase

Author(s): Christina Gasper, Nisa Ulumuddin, Siyuan Zhang, Sang-Hyeok Lee, Christina Scheu, Benjamin Berkels, Zhuocheng Xie, Sandra Korte-Kerzel
Published in: 2025
Publisher: arxiv
DOI: 10.48550/arxiv.2510.17336

Revealing the nano-scale mechanisms of the limited non-basal plasticity in magnesium

Author(s): Sang Ho Oh, Jiwon Jeong, Zhuocheng Xie, Markus Alfreider, Sandra Korte-Kerzel, Daniel Kiener, Julien Guénolé
Published in: 2023
Publisher: Research Square Platform LLC
DOI: 10.21203/rs.3.rs-2783308/v1

Thesis and dissertations (1)

(Electro)plasticity of the Al$_{2}$Cu phase and its Al-Al$_{2}$Cu eutectics

Author(s): Andre, Doreen
Published in: Aachen : RWTH Aachen University 1 Online-Ressource : Illustrationen, Diagramme (2022). doi:10.18154/RWTH-2022-01212 = Dissertation, Rheinisch-Westfälische Technische Hochschule Aachen, 2022, Kumulative Dissertation, 2022
Publisher: RWTH Publications
DOI: 10.18154/rwth-2022-01212