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Additive manufacturing (AM) processes produce parts with improved physical, chemical, and mechanical properties compared to conventional manufacturing processes. In AM processes, intricate part geometries are produced from multicomponent…

Materials Science · Physics 2018-01-04 Supriyo Ghosh

Grain boundaries have been shown to dramatically influence the behavior of relatively simple materials such as monatomic metals and binary alloys. The increased chemical complexity associated with multi-principal element alloys is…

We investigate the hot cracking susceptibility and creep resistance of three versions of a nickel-based superalloy with different contents of boron, carbon and zirconium fabricated by laser powder bed fusion. Crack-free and creep resistant…

While it is known that alloy components can segregate to grain boundaries (GBs), and that the atomic mobility in GBs greatly exceeds the atomic mobility in the lattice, little is known about the effect of GB segregation on GB diffusion.…

Materials Science · Physics 2020-08-17 R. K. Koju , Y. Mishin

Tailoring the nanoscale distribution of chemical species at grain boundaries is a powerful method to dramatically influence the properties of polycrystalline materials. However, classical approaches to the problem have tacitly assumed that…

Materials Science · Physics 2024-11-11 Malik Wagih , Yannick Naunheim , Tianjiao Lei , Christopher A. Schuh

Grain boundary tracer diffusion of Ni, Fe and Cr was studied in a Ni-base 602CA coarse-grained alloy. A co-existence of several short-circuit contributions was distinguished at higher temperatures in Harrison's B-type regime (773-873 K),…

Grain boundary (GB) segregation is a powerful approach for optimizing the thermal and mechanical properties of metal alloys. In this study, we report significant GB interstitial segregation in a representative substitutional binary alloy…

Materials Science · Physics 2025-05-27 Zuoyong Zhang , Chuang Deng

Local chemical ordering strongly influences the behavior of complex concentrated alloys, yet its characterization remains challenging due to the nanoscale dimensions and scattered spatial distribution of the ordered domains. Here, we study…

Materials Science · Physics 2026-02-10 Ian Geiger , Yuan Tian , Ying Han , Yutong Bi , Xiaoqing Pan , Penghui Cao , Timothy J. Rupert

Conventional strategies for enhancing creep resistance often rely on grain boundary strengthening, yet this approach can inadvertently promote premature grain boundary fracture. This study presents a subtractive alloy design strategy for…

Materials Science · Physics 2025-11-20 Yunpeng Fan , Xinbao Zhao , Yu Zhou , Quanzhao Yue , Wanshun Xia , Yuefeng Gu , Ze Zhang

Segregation to defects, in particular to grain boundaries (GBs), is an unavoidable phenomenon leading to changed material behavior over time. With the increase of available computational power, unbiased quantum-mechanical predictions of…

Materials Science · Physics 2025-05-22 Dominik Gehringer , Lorenz Romaner , David Holec

Grain boundary segregation controls properties of polycrystalline materials such as their susceptibility to intergranular cracking. It is of interest to engineer alloy chemistry to enhance grain boundary cohesion to prevent intergranular…

Materials Science · Physics 2025-02-04 Nutth Tuchinda , Gregory B. Olson , Christopher A. Schuh

This paper presents an overview of recent computer simulations of grain boundary (GB) diffusion focusing on atomistic understanding of diffusion mechanisms. At low temperatures when GB structure is ordered, diffusion is mediated by point…

Materials Science · Physics 2019-04-25 Y. Mishin

The development of sustainable transportation and communication systems requires an increase in both energy density and capacity retention of Li-batteries. Using substrates forming a solid solution with body centered cubic Li enhances the…

For its potential as a catalyst, nanoporous gold (NPG) prepared through dealloying of bulk Ag-Au alloys has been extensively investigated. NPG thin films can offer ease of handling, better tunability of the chemistry and microstructure of…

Amorphous complexions have recently been demonstrated to simultaneously enhance the ductility and stability of certain nanocrystalline alloys. In this study, three quinary alloys (Cu-Zr-Hf-Mo-Nb, Cu-Zr-Hf-Nb-Ti, and Cu-Zr-Hf-Mo-W) are…

Materials Science · Physics 2022-02-02 Charlette M. Grigorian , Timothy J. Rupert

Grain boundaries often exhibit ordered atomic structures. Increasing amounts of evidence have been provided by transmission electron microscopy and atomistic computer simulations that different stable and metastable grain boundary…

Materials Science · Physics 2023-02-14 Tobias Brink , Lena Langenohl , Hanna Bishara , Gerhard Dehm

Grain size engineering, particularly reducing grain size into the nanocrystalline regime, offers a promising pathway to further improve the strength-to-weight ratio of Al alloys. Unfortunately, the fabrication of nanocrystalline metals…

Materials Science · Physics 2021-10-07 Tianjiao Lei , Jungho Shin , Daniel S. Gianola , Timothy J. Rupert

We describe a molecular dynamics framework for the direct calculation of the short-ranged structural forces underlying grain-boundary premelting and grain-coalescence in solidification. The method is applied in a comparative study of (i) a…

Materials Science · Physics 2015-05-14 Saryu Fensin , David Olmsted , Dorel Buta , Mark Asta , Alain Karma , J. J. Hoyt

Alloying a material and hence segregating solutes to grain boundaries is one way to tailor a material to the demands of its application. Direct observation of solute segregation is necessary to understand how the interfacial properties are…

Materials Science · Physics 2023-05-03 Lena Langenohl , Tobias Brink , Gunther Richter , Gerhard Dehm , Christian H. Liebscher

Grain boundary wetting as a preliminary stage for zinc induced grain boundary weakening and embrittlement in a Zn coated press hardened 20MnB8 steel was analyzed by means of electron backscatter diffraction, Auger electron spectroscopy,…

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