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Updated: Dec 28, 2025

Optimization of Crystal Growth for Neutron Macromolecular Crystallography
Published on: March 13, 2021
Robust Optimization Scheme for Inverse Method for Crystal Plasticity Model Parametrization.
Mahdieh Shahmardani1,2, Napat Vajragupta1, Alexander Hartmaier1
1Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universität Bochum, Universitätsstr. 150, 44801 Bochum, Germany.
Determining nonlocal crystal plasticity parameters for BCC materials is challenging. This study introduces a robust method combining nanoindentation and inverse analysis to accurately identify these parameters.
Area of Science:
- Materials Science
- Computational Mechanics
- Solid Mechanics
Background:
- Bottom-up material modeling using nonlocal crystal plasticity requires numerous physical and phenomenological parameters.
- Identifying these parameters for nonlocal crystal plasticity models is inherently difficult due to their large number.
Purpose of the Study:
- To propose a robust method for parameterizing the nonlocal crystal plasticity model of body-centered cubic (BCC) materials.
- To combine experimental nanoindentation tests with inverse analysis for accurate material parameter identification.
Main Methods:
- Nanoindentation tests were performed to obtain load-displacement curves and surface imprint data.
- An inverse analysis was developed using a trust-region-reflective algorithm to minimize discrepancies between numerical and experimental results.
- A discrepancy function was defined to simultaneously match load-displacement curves and surface topologies.
Main Results:
- Numerical models using identified material properties demonstrated good agreement with experimental nanoindentation data.
- Sensitivity analysis indicated that the geometrical factor significantly influences both load-displacement curves and surface imprint parameters.
- The proposed method successfully parameterized the nonlocal crystal plasticity model for BCC materials.
Conclusions:
- The combined nanoindentation and inverse analysis approach provides a robust method for parameterizing nonlocal crystal plasticity models.
- Accurate identification of material parameters is crucial for reliable bottom-up material modeling.
- Geometrical factors play a critical role in the mechanical response of BCC materials under indentation.
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