arXiv subjects

Manuel Petersmann

Publications and source records attributed to Manuel Petersmann.

4 recordsLinked to original sources

arXiv2026

Subgrain-resolved Analysis of Degradation in Cu Metallization via Scanning 3DXRD and Thermomechanical Modeling

Metallization layers play a key role in the performance and reliability of modern power semiconductor devices. During short-circuit events, rapid heating of power metallization layers induces thermomechanical incompatibility stresses, which may contribute to material degradation and impact device performance. In this work, potential degradation hotspots associated with thermomechanical loading in Cu power metallization are investigated using a combined experimental--computational approach. Scanning three-dimensional X-ray diffraction measurements are coupled with thermomechanical crystal plasticity simulations to probe the evolution of grain-resolved plastic deformation during rapid cyclic loading. This integrated approach provides insight into the microstructural processes governing degradation hotspot formation, laying the groundwork for future microstructure-informed, physics-based reliability assessment of Cu metallization.

cond-mat.mtrl-sci↗

arXiv2026

TrueEBSD in MTEX: automatic image matching for correlative microscopy applications

TrueEBSD is an open-source MATLAB program for image alignment and spatial distortion correction of images and electron backscatter diffraction (EBSD) maps. We have re-implemented TrueEBSD as an add-on to MTEX, an established toolbox for EBSD data analysis. Spatial alignment enables correlative analysis methods, such as augmenting EBSD orientation maps with data from other imaging modes. The augmented EBSD maps can then be analysed further using MTEX. We demonstrate TrueEBSD on two example case studies: one for measuring Co phase fraction and WC contiguity in a WC-Co composite, and another for determining the relative susceptibility of grain boundaries to void formation in a copper polycrystal. In both examples, the EBSD map was augmented with scanning electron microscopy (SEM) image data. This enabled quantitative crystallographic measurements which would not be possible from analysing the EBSD maps and images separately.

cond-mat.mtrl-sci↗

arXiv2024

Interface Energy and Phase Transformations: A Comparative Analysis of Cahn-Hilliard and CALPHAD-based Models in Ternary Substitutional Alloys

There are various methods for modeling phase transformations in materials science, including general classes of phase-field methods and reactive diffusion methodologies, which most importantly differ in their treatment of interface energy. These methodologies appear mutually exclusive since the respective numerical schemes only allow for their primary use case. To address this issue, a novel methodology for modeling phase transformations in multi-phase, multi-component systems, with particular emphasis on applications in materials science and the study of substitutional alloys is introduced. The fundamental role of interface energy in the evolution of a material's morphology will be studied by example of binary and ternary systems. Allowing full control over the interface energy quantity enables more detailed investigations and bridges the gaps between known methods. We prove the thermodynamic consistency of the derived method and discuss several use cases, such as vacancy-mediated diffusion. Furthermore a scheme for relating Onsager and Diffusion coefficients is proposed, which allows us to study the intricate coupling that is observed in multicomponent systems. We hope to contribute to the development of new mathematical tools for modeling complex phase transformations in materials science.

math.NA↗

arXiv2023

First principles study on the segregation of metallic solutes and non-metallic impurities in Cu grain boundary

Metallic dopants have the potential to increase the mechanical strength of polycrystalline metals. These elements are expected to aggregate in regions of lower coordination, such as grain boundaries. At the grain boundaries, they can have a beneficial (toughening) or detrimental effect (e.g. grain boundary embrittlement). In this study, we employ Density Functional Theory (DFT) to compute the segregation energies of various metallic and other non-metallic elements to determine their effect when introduced in a symmetric Cu grain boundary. The study results may be used to qualitatively rank the beneficial effect of certain metallic elements, such as V, Zr, and Ag, as well as the strong weakening effect of non-metallic impurities like O, S, F and P. Furthermore, the induced local distortion is found to be proportional to the weakening effect of the elements.

cond-mat.mtrl-sci↗