Hardness characterization parameters of Niobium Carbide and Niobium Nitride: A first principles study

Muchiri, Perpetua Wanjiru; Mwalukuku, V.M.; Korir, K.K.; Amolo, George; Makau, Nicholas

doi:10.1016/j.matchemphys.2019.03.001

Cited by 27 publications

(12 citation statements)

References 35 publications

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“…The elastics constants investigated in this work were found to be sensitive to defect concentration, and in all cases a decrease in magnitude of elastic constant is observed with increase in defect concentration. In the case of pristine structure, our calculated lattice and elastic constants were found to be consistent with those of previous studies [28,29]. The reduction in magnitude of elastic constants can be attributed to reduction in bonding coordination number due to missing anionic atoms.…”

Section: (Ii) Elastic Propertiessupporting

confidence: 90%

The impact of anionic vacancies on the mechanical properties of NbC and NbN: An ab initio study

Muchiri

Korir

Makau

et al. 2022

Computational Materials Science

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Section: (Ii) Elastic Propertiessupporting

confidence: 90%

The impact of anionic vacancies on the mechanical properties of NbC and NbN: An ab initio study

Muchiri

Korir

Makau

et al. 2022

Computational Materials Science

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“…Employing the elastic constants, we were able to predict Vickers hardness (H ν ) of these noble inverse perovskites using the approach employed in Ref. 54. Muchiri and co-workers employed an empirical scheme 55 that correlates the Vickers hardness to the Pugh's modulus ratio as shown in Eq.…”

Section: E Mechanical Stability and Hardnessmentioning

confidence: 99%

Low Born effective Charges, High Covalency and Strong Optical Activity in $X_3^{2+}$Bi$^{3-}$N$^{3-}$ ($X$=Ca,Sr,Ba) $inverse$-perovskites

Wakini¹,

Carolyne²,

Chege³

et al. 2022

Preprint

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We compute for the first time a complete charge analysis (Bader and Born effective) on X 2+3 Bi 3− N 3− (X=Ca,Sr,Ba). The crystals show a great electron sharing with little possibility of ferroelectricity. Inverse perovskites have been a center of attraction in the recent years and not much is known on the systems under this study. This research addressed some key missing components and decomponents like the hardness and optical spectrum in X 2+3 Bi 3− N 3− (X=Ca,Sr,Ba). The computed lattices slightly deviated from the parent perovskites indicating a future interfacing under a proper substrate. We also found out that all the crystals under this study were semiconducting with direct band gaps but plastic in nature due to strong covalency. The optical spectrum revealed very strong activity in these crystals in the ultraviolet regime. The information herein will definitely guide the experimentalist in fabrication of these materials for novel functionalities.

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“…[2][3][4][5][6][7][8][9] Several surface treatment techniques can enhance metallic materials with properties such as wear resistance, corrosion resistance, and increased toughness, among others. [10][11][12][13][14][15][16][17][18][19] Plasma nitriding by cage cathodic has been studied in the past decade as a technique that can be used both in the nitriding process and in the deposition of thin films. [5,[20][21][22][23][24][25][26][27] Recently, some researchers have highlighted the potential of this technique for the deposition of duplex films, with the effect of nitriding parts followed by the deposition of a film on the substrate, with this process being performed continuously without the need for reactor replacement.…”

Section: Introductionmentioning

confidence: 99%

Tribological Behavior of SINTER30 Steel Subjected to Duplex Treatment

Macedo

Sousa

Nogueira

et al. 2023

steel research int.

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Plasma nitriding has been extensively used to improve materials’ surface and mechanical properties using conventional plasma techniques. However, this process generally results in a nonuniformity of the properties. In the cathodic cage plasma nitriding (CCPN), the plasma is active only on the surface of the cathodic cage, eliminating inherent defects of conventional plasma nitriding. Herein, a duplex treatment, CCPN and TiN deposition, is used on SINTER30 tool steel for the first time. Vickers microhardness tests, X‐ray diffractometry, Raman scattering spectroscopy, and scratching tests characterize the samples. The results show that TiN post‐coating attains higher surface hardness. All the groups increase their microhardness properties when compared with nontreated substrates. The prior treatment of plasma nitriding assists hardening of the substrate surface. The best condition is obtained when the sample is placed inside the titanium cage and positions directly on the sample port, with simultaneous duplex treatment. When the substrate passes through this simultaneous duplex process, peaks corresponding to Fe3N and TiN are observed at Raman spectra. Suitable TiN layers improve the film adhesion, which is correlated to the system's load‐bearing capacity.

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Hardness characterization parameters of Niobium Carbide and Niobium Nitride: A first principles study

Cited by 27 publications

References 35 publications

The impact of anionic vacancies on the mechanical properties of NbC and NbN: An ab initio study

The impact of anionic vacancies on the mechanical properties of NbC and NbN: An ab initio study

Low Born effective Charges, High Covalency and Strong Optical Activity in $X_3^{2+}$Bi$^{3-}$N$^{3-}$ ($X$=Ca,Sr,Ba) $inverse$-perovskites

Tribological Behavior of SINTER30 Steel Subjected to Duplex Treatment

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