MSE 2024
Lecture
24.09.2024
Phase-field simulation study of self-propagating high-temperature synthesis in reactive multilayers: product properties & microstructure-affecting parameters
KD

Kaveh Dargahi Noubary

Hochschule Karlsruhe - Technik und Wirtschaft

Dargahi Noubary, K. (Speaker)¹; Nestler, B.²; Selzer, M.²
¹Karlsruhe University of Applied Sciences (HKA); ²Karlsruhe Institute of Technology (KIT)
Vorschau
16 Min. Untertitel (CC)

A grand-potential-based phase-field formulation is employed to simulate Self-propagating High-temperature Synthesis SHS in reactive multilayers, with a focus on Ru-Al and Ni-Al binary alloys. Utilizing thermodynamic properties of all phases derived from Calphad databases and complemented by the experimental data of the geometrical, topological and processing conditions prepared by project partners, the model initiates with Ru- or Ni-rich flat layers in contact with Al-rich lamellae. This mirrors the experimental deposition of initial multilayers. Upon the onset of the self-propagating reaction, NiAl and RuAl grains nucleate and the systems undergo phase transitions due to the coarsening of the nuclei. This coarsening is accelerated by cooling the systems to room temperature, based on the experimentally measured temperature profiles. The phase-field simulation results reveal strong correlations between the evolved grain structures and both experimental observations and theoretical predictions. The primary factor under investigation is the evolved grain areas, demonstrating their sensitivity to variations in bilayer thickness and initial Al-rich phase fractions in the multilayers. Extensive high throughput 2D and 3D simulation results explore the impact of different multilayer patterns and cooling profiles on the evolved microstructures, including sinusoidal patterns with systematically varied wavelengths and amplitudes. Data analysis workflow enables the derivation of morphology maps comprising the linkage between the grain structure properties, substrate and processing conditions.

Abstract

Abstract

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