Structure Refinement and Properties of Cr<sub>3</sub>C<sub>2</sub>.

Gläser, Jochen; Schmitt, Ruth; Meyer, H.

doi:10.1002/chin.200352014

Cited by 5 publications

(5 citation statements)

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“…The more negative ΔHr implies more stable phase to be formed. Our calculated results of the relative binary carbides are presented in Table 1, together with available theoretical and experimental data [15,20,[33][34][35][36][37][38][39]. Form Table 1, the lattice parameters and formation energies of relative binary carbides show a good agreement with other theoretical and experimental values in Refs.…”

Section: Advances In Engineering Research Volume 121supporting

confidence: 79%

“…Form Table 1, the lattice parameters and formation energies of relative binary carbides show a good agreement with other theoretical and experimental values in Refs. [15,20,[33][34][35][36][37][38][39], indicating the reliability of this work. Note that the subscripts a-m represent the data from Refs.…”

Section: Advances In Engineering Research Volume 121mentioning

confidence: 53%

“…Note that the subscripts a-m represent the data from Refs. [24], [31], [18], [32], [15], [20] and [33][34][35][36][37][38][39], respectively.…”

Section: Advances In Engineering Research Volume 121mentioning

confidence: 99%

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Effects of Alloying Elements M (M = Fe, Mo) on Phase Stability of Cr23C6 Carbides from First-principles

Yi¹,

Xu²,

Xia³

et al. 2017

Proceedings of the 2017 2nd International Conference on Advances in Materials, Mechatronics and Civil Engineering (ICAMMCE 2017

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Abstract. The structural and electronic properties of (Cr, M)23C6 (M = Fe, Mo) with a full composition range of Cr/M ratio were carried out by first-principles calculations. The phase stability was investigated by calculating the reaction energy. Results reveal that Cr22FeC6, Cr21Fe2C6, Cr20Fe3C6, Cr21Mo2C6 and Cr20Mo3C6 are the stable phases. Alloying element Fe and Mo prefer to occupy the 4a and 8c sites of Cr23C6 carbides, respectively. Then the stabilized mechanism by alloying elements in Cr23C6 carbides was explored by employing the charge density difference. It provides the explanation that the high stability of Cr22FeC6 and Cr21Mo2C6 is mainly attributed to the strengthening of covalent bonds between the 8c and 32f sites. IntroductionNi-based superalloys are widely used in hot section parts of aircraft engines because of their superior creep strength and thermo mechanical fatigue properties [1,2]. At high temperatures, owing to alternating stress, fatigue related failure becomes one of the primary failure modes for Ni-based superalloys in the hot section structures [3]. According to experimental observations, M23C6-type carbides are principle sites for fatigue crack initiations [4][5][6]. The previous study proposed that the precipitation of M23C6 carbides result in the formation of grain bound serrations [5]. It was also found by scanning electron microscopy that the fatigue cracks followed the continuous film of M23C6 carbides at the grain boundaries [6]. These facts indicate that M23C6 carbides have crucial effects on the formation of fatigue crack. Therefore, the information on the stability and structure of M23C6 carbides, as well as the corresponding mechanical and thermodynamic properties, is very helpful to deeply understand the mechanism of fatigue crack initiation. Since the observation of γ-M23C6 carbides [7], the properties of γ-M23C6 binary phases had been systemically studied [8][9][10][11][12][13][14][15][16][17][18][19][20][21]. The structural, mechanical and electronic properties of Cr23C6 were reported by Jiang [10]. The phase stability of M23C6(M = V, Cr, Mn, Fe, Co, Ni) was discussed by Medvedeva [22]. However, M23C6-type carbides in multi-component alloys contain more than one metallic element. Generally, Cr23C6 can dissolve Fe, Mo, or W atoms and form complex γ-(Cr, M)23C6 phases [23]. Xie et al. [8,9] explored several compounds of γ-(Cr, M)23C6 (M = Fe, W, Ni) phases and found that Fe atoms preferred to substitute for Cr at 4a site and then 8c site of Cr23C6 phase. To simulate more substitution situations, Han et al.[24] studied γ-Cr23C6 compounds with each of the four metal Wyckoff sites being occupied in turns by Fe atoms. The obtained substitution sequence was 4a, 8c, 48h and 32f. Recently, the site preference of γ-(Cr, M)23C6 (M = Mo, W; x = 0-3) phases was investigated and Cr21M2C6 (M = Mo, W) was found to be the most stable phase [23]. However, the affecting status of higher concentration of typical alloying elements in Cr23C6 carbides (e.g., Fe, Mo.) is still scarcely studied...

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Section: Advances In Engineering Research Volume 121supporting

confidence: 79%

Section: Advances In Engineering Research Volume 121mentioning

confidence: 53%

See 1 more Smart Citation

Effects of Alloying Elements M (M = Fe, Mo) on Phase Stability of Cr23C6 Carbides from First-principles

Yi¹,

Xu²,

Xia³

et al. 2017

Proceedings of the 2017 2nd International Conference on Advances in Materials, Mechatronics and Civil Engineering (ICAMMCE 2017

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“…Another example is the synthesis of metastable chromium carbide (Cr 3 C 2– x ) NPs by laser ablation (90 fs, 800 nm, 1 kHz, 110 μJ) of a bulk Cr target in acetone or toluene . Cr is antiferromagnetic (Néel temperature ( T N ) = 312 K), whereas Cr 3 C 2 exhibits temperature-independent paramagnetism . By laser ablation in deionized (DI) water, chromium oxides, such as Cr 2 O 3 , are also formed .…”

Section: Laser Ablation Of a Bulk Target Materials In Liquidmentioning

confidence: 99%

“…Cr 3 C 2– x is a metastable phase and can be formed only either directly by the crystallization of C-rich amorphous Cr 1– y C y with 0.33 ≤ y ≤ 0.40 alloys or indirectly with 0.40 ≤ y ≤ 0.52 by the decomposition of the CrC 1– z carbide at ∼650 °C, which is also metastable and is formed in a first step from the crystallization of the amorphous Cr 1– y C y , methods that, in any case, lead to the synthesis of irregular shaped, micron-sized particulates of the material instead of nanometer-sized spherical particles. Notably, Cr is antiferromagnetic, whereas Cr 3 C 2 exhibits temperature-independent paramagnetism . Bulk Cr 3 O 2 is antiferromagnetic ( T N = 307 K) and is a long-studied magnetoelectric (ME) material; namely, it exhibits ferromagnetic behavior upon the application of an electric field.…”

Section: Nanoscience and Nanotechnology Of Laser Synthesis Of Magneti...mentioning

confidence: 99%

Laser Synthesis of Magnetic Nanoparticles in Liquids and Application in the Fabrication of Polymer–Nanoparticle Composites

Semaltianos

Karczewski

2021

ACS Appl. Nano Mater.

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The method of synthesis of nanoparticles in solution by laser ablation of a bulk target material immersed in a liquid does not require the use of any reducible chemical precursors or colloidal stabilizing agents. The resulting colloids are ultrapure, and in certain cases, the synthesized nanoparticles are surface-ligand-free (have “bare” surfaces). Furthermore, laser irradiation of micro/nanomaterials suspended in a liquid can lead to the synthesis of nanoparticles in solution with unique physicochemical properties. Interest in the application of the method for the synthesis of magnetic nanoparticles usually originates from the following facts: (i) Magnetic oxide or carbide nanoparticles can be directly synthesized by laser ablating the corresponding elemental target material in the appropriate liquid, (ii) magnetoplasmonic bimetallic alloy nanoparticles (e.g., FeAu), even composed of elements that are immiscible at any temperature in the solid or liquid phase (e.g., FeAg, CoAg), can be synthesized by ablating nonalloyed bimetallic targets, (iii) under the application of an external magnetic field, nanoparticle chains and strands can be fabricated that are characterized by a high packing density of the nanoparticles that together with their “bare” surfaces result in the strands having both a high aspect ratio and electrical conductivity, (iv) magnetic nanostructures that consist of nanoparticles and nanomaterials with different morphologies or properties can be fabricated, and (v) nanoparticles of intrinsically nonmagnetic oxides exhibiting the so-called d0 ferromagnetism can be synthesized. By using laser-synthesized-in-liquid magnetic nanoparticles in the fabrication of polymer–nanoparticle composites (magnetic nanocomposites), the presence of any chemical reaction byproducts in the nanocomposite is avoided. The nanoparticles form direct chemical bonds with the polymer matrix. Nanoparticle strands formed in the nanocomposite provide it with a high electrical conductivity while preserving its optical transparency. This Review is focused on the synthesis of magnetic nanoparticles in solution by laser ablation of a bulk target material immersed in a liquid or laser irradiation of micro/nanoparticles or micro/nanomaterials suspended in a liquid and the fabrication of magnetic nanocomposites using these nanoparticles.

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Insight into the structural and electronic properties of orthorhombic Cr 3 C 2 (001) surface

Pang

Zhan

2018

Journal of Physics and Chemistry of Solids

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Structure Refinement and Properties of Cr₃C₂.

Cited by 5 publications

References 1 publication

Effects of Alloying Elements M (M = Fe, Mo) on Phase Stability of Cr23C6 Carbides from First-principles

Effects of Alloying Elements M (M = Fe, Mo) on Phase Stability of Cr23C6 Carbides from First-principles

Laser Synthesis of Magnetic Nanoparticles in Liquids and Application in the Fabrication of Polymer–Nanoparticle Composites

Insight into the structural and electronic properties of orthorhombic Cr 3 C 2 (001) surface

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Structure Refinement and Properties of Cr3C2.

Cited by 5 publications

References 1 publication

Effects of Alloying Elements M (M = Fe, Mo) on Phase Stability of Cr23C6 Carbides from First-principles

Effects of Alloying Elements M (M = Fe, Mo) on Phase Stability of Cr23C6 Carbides from First-principles

Laser Synthesis of Magnetic Nanoparticles in Liquids and Application in the Fabrication of Polymer–Nanoparticle Composites

Insight into the structural and electronic properties of orthorhombic Cr 3 C 2 (001) surface

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Structure Refinement and Properties of Cr₃C₂.