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One of the limitations of commercially available metal additive manufacturing (AM) processes is the minimum feature size most processes can achieve. A proposed solution to bridge this gap is microscale selective laser sintering (μ-SLS). The advent of this process creates a need for models which are able to predict the structural properties of sintered parts. While there are currently a number of good SLS models, the majority of these models predict sintering as a melting process which is accurate for microparticles. However, when particles tend to the nanoscale, sintering becomes a diffusion process dominated by grain boundary and surface diffusion between particles. As such, this paper presents an approach to model sintering by tracking the diffusion between nanoparticles on a bed scale. Phase field modeling (PFM) is used in this study to track the evolution of particles undergoing sintering. Changes in relative density are then calculated from the results of the PFM simulations. These results are compared to experimental data obtained from furnace heating done on dried copper nanoparticle inks, and the simulation constants are calibrated to match physical properties.
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Molecular dynamics simulations of nanoparticle sintering in additive nanomanufacturing: insights from sintering mechanisms
The sintering behavior of nanoparticles (NPs), which determines the quality of additively nanomanufactured products, differs from conventional understanding established for microparticles. As NPs have a high surface-to-volume ratio, they are subjected to a higher influence from surface tension and a lower melting point than microparticles, resulting in variations in both crystallographic defect-mediated and surface diffusion mechanisms. Meanwhile, the interplay between these controlling mechanisms in NPs has not been well understood, primarily because sintering occurs on the nanosecond timescale, making it an exceptionally transient process. In this work, sintering of both equal and unequal sized Ag and Cu NP doublets with and without misorientation (both tilt and twist) is modeled through molecular dynamics (MD) simulations. The formation and evolution of crystallographic defects, such as vacancies, dislocations, stacking faults, twin boundaries, and grain boundaries, during sintering are investigated. The influence of these defects on plastic deformation and diffusion mechanisms, such as volume diffusion and grain boundary (GB) diffusion, is discussed to elucidate the responsible sintering mechanisms. The surface diffusion mechanism is visualized by using detailed atomic trajectories generated during the sintering process. Finally, the overall effectiveness of all diffusion sintering mechanisms is quantified. This study provides first insights into the complexity and dynamics of NP sintering mechanisms which can aid in the development of accurate predictive models.
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- Award ID(s):
- 2134024
- PAR ID:
- 10566824
- Publisher / Repository:
- OAE Publishing Inc
- Date Published:
- Journal Name:
- Green Manufacturing Open
- Volume:
- 2
- Issue:
- 4
- ISSN:
- 2835-7590
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.20517/gmo.2024.062001
