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Density functional theory predictions of the Hf-HfC-HfN ternary: Phase stability and properties

https://doi.org/10.1016/j.commatsci.2024.112803

Tang, Xiaochuan; Watkins, Brennan R; Thompson, Gregory B; Weinberger, Christopher R (February 2024, Computational Materials Science)

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Phase Formation of a C6 Niobium Hemicarbide from Sub-stoichiometric NbC

https://doi.org/10.1007/s11837-023-06084-y

Bikmukhametov, Ilias; Priedeman, Jonathan L; Sanjeewa, Liurukara D; Weinberger, Christopher R; Thompson, Gregory B (November 2023, JOM)

The niobium hemicarbide (Nb2C) has at least three known polymorphs: a (Pnma or Pbcn), b (P31mÞ, and c (P63/mmc) as a function of temperature. Identification of these phases has been notoriously difficult particularly for the lower-temperature variations (a and b) because of their long-range vacancy ordering. In the current study, an overall Nb2C composition has been processed by hot isostatically pressing NbC and Nb powders together which did not fully homogenize. Using neutron diffraction and selected area electron diffraction, the C6 (P3m1) structure was identified in the Nb2C. The formation pathway for this phase is postulated from the high density of stacking faults observed in the NbC.
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The effects of mixing non-metal atoms in the B1 structured transition metal carbo-nitrides on their structure and mechanical properties: HfC1-N

https://doi.org/10.1016/j.oceram.2023.100356

Watkins, Brennan R.; Lopez, Jessica J.; Yu, Xiao-Xiang; Thompson, Gregory B.; Weinberger, Christopher R. (June 2023, Open Ceramics)

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The role of entropy and enthalpy in high entropy carbides

https://doi.org/10.1016/j.commatsci.2022.111474

Tang, Xiaochuan; Thompson, Gregory B.; Ma, Kaka; Weinberger, Christopher R. (July 2022, Computational Materials Science)

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Vacancy-cluster and off-lattice metal-atom diffusion mechanisms in transition metal carbides

https://doi.org/10.1016/j.commatsci.2021.110713

Salehin, Rofiques; Tang, Xiaochuan; Thompson, Gregory B.; Weinberger, Christopher R. (November 2021, Computational Materials Science)

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Statistical study of vacancy diffusion in TiC and TaC

https://doi.org/10.1103/PhysRevMaterials.4.093602

Tang, Xiaochuan; Salehin, Rofiques; Thompson, Gregory B.; Weinberger, Christopher R. (September 2020, Physical Review Materials)
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