Theoretical study of physical properties and oxygen incorporation effect in nanolaminated ternary carbides 211-MAX phases

Kanoun, Mohammed Benali; Goumri‐Said, Souraya; Abdullah, King

doi:10.1533/9780857096012.177

Cited by 6 publications

(3 citation statements)

References 28 publications

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“…The major difference between the crystal structures of these phases is the number of M-layers separating the A-layers. In the "211 phase" there are two, in the "312 phase" three, whilst in the "413 phase" there are four [4]. This class of materials combines some attractive properties of ceramics and metals simultaneously to endow them with unusual and exceptional electrical, thermal, elastic, chemical and mechanical properties [5,6].…”

Section: Introductionmentioning

confidence: 99%

Microstructural evolution and wear mechanism of Ti3AlC2 – Ti2AlC dual MAX phase composite consolidated by spark plasma sintering (SPS)

Magnus

Cooper

Sharp

et al. 2019

Wear

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In this work, we report the report the synthesis, deformation and tribological behaviour of a novel Ti3AlC2-Ti2AlC MAX phase composite metallo-ceramic. The dual MAX phase composite was synthesized by spark plasma sintering under vacuum environment using Ti, Al, and C precursor powders. The deformation mechanism and the tribological behaviour were studied and analyzed by SEM, TEM, and Raman spectroscopy. The transition in friction and wear as well as the operative wear mechanisms involved were further discussed. Detailed analysis of the worn surface showed that the Ti3AlC2-Ti2AlC MAX phase composite is intrinsically self-lubricating. 1.

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Section: Introductionmentioning

confidence: 99%

Microstructural evolution and wear mechanism of Ti3AlC2 – Ti2AlC dual MAX phase composite consolidated by spark plasma sintering (SPS)

Magnus

Cooper

Sharp

et al. 2019

Wear

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“…The elastic stiffness determines the response of crystal to an externally applied stress or strain and provides information about bonding characteristics and mechanical and structural stability [ 21 ]. The hydroxyapatite system has five elastic constants (Equation (4)).…”

Section: Methodsmentioning

confidence: 99%

X-ray Diffraction Analysis and Williamson-Hall Method in USDM Model for Estimating More Accurate Values of Stress-Strain of Unit Cell and Super Cells (2 × 2 × 2) of Hydroxyapatite, Confirmed by Ultrasonic Pulse-Echo Test

et al. 2021

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Taking into account X-ray diffraction, one of the well-known methods for calculating the stress-strain of crystals is Williamson-Hall (W–H). The W-H method has three models, namely (1) Uniform deformation model (UDM); (2) Uniform stress deformation model (USDM); and (3) Uniform deformation energy density model (UDEDM). The USDM and UDEDM models are directly related to the modulus of elasticity (E). Young’s modulus is a key parameter in engineering design and materials development. Young’s modulus is considered in USDM and UDEDM models, but in all previous studies, researchers used the average values of Young’s modulus or they calculated Young’s modulus only for a sharp peak of an XRD pattern or they extracted Young’s modulus from the literature. Therefore, these values are not representative of all peaks derived from X-ray diffraction; as a result, these values are not estimated with high accuracy. Nevertheless, in the current study, the W-H method is used considering the all diffracted planes of the unit cell and super cells (2 × 2 × 2) of Hydroxyapatite (HA), and a new method with the high accuracy of the W-H method in the USDM model is presented to calculate stress (σ) and strain (ε). The accounting for the planar density of atoms is the novelty of this work. Furthermore, the ultrasonic pulse-echo test is performed for the validation of the novelty assumptions.

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“…At the point when they later found Ti 4 AlN 3 , these phases shared an obvious fundamental structure that gave them comparable properties. This accomplishment prompted the presentation of the nomenclature M n+1 AX n (n = 1-3) or MAX phases, where M is an early transition metal, A is a group IIIA or IVA element, and X is either carbon (C) and/or nitrogen (N) [5][6][7][8]. The MAX phases are considered to have good resistance to warm shock and oxidation [9][10][11][12].…”

Section: Introductionmentioning

confidence: 99%

Physical Properties Investigations of Ternary-Layered Carbides M2PbC (M = Ti, Zr and Hf): First-Principles Calculations

2021

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We investigated structure optimization, mechanical stability, electronic and bonding properties of the nanolaminate compounds Ti2PbC, Zr2PbC, and Hf2PbC using the first-principles calculations. These structures display nanolaminated edifices where MC layers are interleaved with Pb. The calculation of formation energies, elastic moduli and phonons reveal that all MAX phase systems are exothermic, and are intrinsically and dynamically stable at zero and under pressure. The mechanical and thermal properties are reported with fundamental insights. Results of bulk modulus and shear modulus show that the investigated compounds display a remarkable hardness. The elastic constants C11 and C33 rise more quickly with an increase in pressure than that of other elastic constants. Electronic and bonding properties are investigated through the calculation of electronic band structure, density of states, and charge densities.

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Theoretical study of physical properties and oxygen incorporation effect in nanolaminated ternary carbides 211-MAX phases

Cited by 6 publications

References 28 publications

Microstructural evolution and wear mechanism of Ti3AlC2 – Ti2AlC dual MAX phase composite consolidated by spark plasma sintering (SPS)

Microstructural evolution and wear mechanism of Ti3AlC2 – Ti2AlC dual MAX phase composite consolidated by spark plasma sintering (SPS)

X-ray Diffraction Analysis and Williamson-Hall Method in USDM Model for Estimating More Accurate Values of Stress-Strain of Unit Cell and Super Cells (2 × 2 × 2) of Hydroxyapatite, Confirmed by Ultrasonic Pulse-Echo Test

Physical Properties Investigations of Ternary-Layered Carbides M2PbC (M = Ti, Zr and Hf): First-Principles Calculations

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