Thermodynamics and Structural Properties of Ti<sub>3</sub>SiC<sub>2</sub> in Liquid Lead Coolant

Arkundato, Artoto; Hasan, Moh.; Pramutadi, Asril; Rivai, Abu Khalid; Su’ud, Zaki

doi:10.1088/1742-6596/1493/1/012026

Cited by 2 publications

(2 citation statements)

References 16 publications

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“…These materials exhibit a unique combination of properties common to both metals and ceramics [2,3]. They are of low density; high thermal and electrical conductivity; high strength; excellent corrosion resistance in aggressive liquid media, resistance to high-temperature oxidation and thermal shock; easily machined; high melting point and are quite stable at temperatures up to 1000 • C and above [2][3][4][5]. That is, according to the combination of characteristics, the MAX-phases can be ideal for the fuel cladding material of nuclear reactors.…”

Section: Introductionmentioning

confidence: 99%

Phase equilibria and materials in the TiO2-SiO2-ZrO2 system: a review

Kirillova¹,

Almjashev²,

Stolyarova³

2021

Nanosystems: Phys. Chem. Math.

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This paper analyzes the available data on phase equilibria in the TiO 2 -SiO 2 -ZrO 2 system. The advantages of specialized databases and software systems for the analysis of information on phase equilibria are pointed. Phase diagrams are kind of a roadmap for the design of materials. As shown in the review, nanomaterials are no exception to this. Data on phase equilibria, such as eutectic points, solubility limits, binodal and spinodal curves, make it possible to predict the possibility of the formation of nanoscale structures and materials based on them. In its turn during the transition to the nanoscale state, the mutual component solubility, the temperature of phase transformation may change significantly, and other features may become observable. This provides additional variability when choosing compositions and material design based on the phases of a given system. As an example, for design of nuclear fuel assemblies that are tolerant to severe accidents at nuclear power plants, mixed carbides (so-called MAX-phases) are considered as one of the most promising options as nanoscale layers on fuel cladding. It is suggested that the materials of the TiO 2 -SiO 2 -ZrO 2 system, which are the product of oxidation of some MAX-phases, can serve as an inhibitor of their further corrosion. Ensuring the stability of materials based on MAX-phases expands their prospects in nuclear power. This requires comprehensive information about phase equilibria and formation conditions of nanostructured states in the analyzed system.

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Section: Introductionmentioning

confidence: 99%

Phase equilibria and materials in the TiO2-SiO2-ZrO2 system: a review

Kirillova¹,

Almjashev²,

Stolyarova³

2021

Nanosystems: Phys. Chem. Math.

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“…This potential has been widely used in the study of MXenes and appears to provide a reasonable description of their mechanical properties [ 41 ] and thermo properties [ 42 ]. Then, the Lennard–Jones (LJ) potential [ 43 , 44 ] was acted for MXenes with the tip and substrate calculation. The interactions in the Si substrate and tip were described using the sw potentials [ 45 ].…”

Section: Methodsmentioning

confidence: 99%

The Effects of the Temperature and Termination(-O) on the Friction and Adhesion Properties of MXenes Using Molecular Dynamics Simulation

et al. 2022

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Two-dimensional transition metal carbides and nitrides (MXenes) are widely applied in the fields of electrochemistry, energy storage, electromagnetism, etc., due to their extremely excellent properties, including mechanical performance, thermal stability, photothermal conversion and abundant surface properties. Usually, the surfaces of the MXenes are terminated by –OH, –F, –O or other functional groups and these functional groups of MXenes are related surface properties and reported to affect the mechanical properties of MXenes. Thus, understanding the effects of surface terminal groups on the properties of MXenes is crucial for device fabrication as well as composite synthesis using MXenes. In this paper, using molecular dynamics (MD) simulation, we study the adhesion and friction properties of Ti2C and Ti2CO2, including the indentation strength, adhesion energy and dynamics of friction. Our indentation fracture simulation reveals that there are many unbroken bonds and large residual stresses due to the oxidation of oxygen atoms on the surface of Ti2CO2. By contrast, the cracks of Ti2C keep clean at all temperatures. In addition, we calculate the elastic constants of Ti2C and Ti2CO2 by the fitting force–displacement curves with elastic plate theory and demonstrate that the elastic module of Ti2CO2 is higher. Although the temperature had a significant effect on the indentation fracture process, it hardly influences maximum adhesion. The adhesion energies of Ti2C and Ti2CO2 were calculated to be 0.3 J/m2 and 0.5 J/m2 according to Maugis–Dugdale theory. In the friction simulation, the stick-slip atomic scale phenomenon is clearly observed. The friction force and roughness (Ra) of Ti2C and Ti2CO2 at different temperatures are analyzed. Our study provides a comprehensive insight into the mechanical behavior of nanoindentation and the surface properties of oxygen functionalized MXenes, and the results are beneficial for the further design of nanodevices and composites.

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Thermodynamics and Structural Properties of Ti₃SiC₂ in Liquid Lead Coolant

Cited by 2 publications

References 16 publications

Phase equilibria and materials in the TiO2-SiO2-ZrO2 system: a review

Phase equilibria and materials in the TiO2-SiO2-ZrO2 system: a review

The Effects of the Temperature and Termination(-O) on the Friction and Adhesion Properties of MXenes Using Molecular Dynamics Simulation

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Thermodynamics and Structural Properties of Ti3SiC2 in Liquid Lead Coolant

Cited by 2 publications

References 16 publications

Phase equilibria and materials in the TiO2-SiO2-ZrO2 system: a review

Phase equilibria and materials in the TiO2-SiO2-ZrO2 system: a review

The Effects of the Temperature and Termination(-O) on the Friction and Adhesion Properties of MXenes Using Molecular Dynamics Simulation

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Thermodynamics and Structural Properties of Ti₃SiC₂ in Liquid Lead Coolant