Effect of boron on the structural stability, mechanical properties, and electronic structures of γ′-Ni3Al in TLP joints of nickel-based single-crystal alloys

Wu, Yuanhang; Chen, Jieshi; Zhang, Lixia; Ji, Jiangyuan; Wang, Qinzhao; Zhang, Shuye

doi:10.1016/j.mtcomm.2022.103375

Cited by 49 publications

(14 citation statements)

References 24 publications

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“…Recently, some important methods such as functionalization/doping and size-dependent were used to enhance or control the material properties. Among them, doping process has been the subject of intensive research to make suitable material properties for use in a wide range of applications 32 – 36 .…”

Section: Introductionmentioning

confidence: 99%

Quantum DFT methods to explore the interaction of 1-Adamantylamine with pristine, and P, As, Al, and Ga doped BN nanotubes

Nemati‐Kande

Pourasadi

Aghababaei

et al. 2022

Sci Rep

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Nanostructures, nowadays, found growing applications in different scientific and industrial areas. Nano-coins, nanosheets, and nanotubes are used in medical applications as sensors or drug delivery substances. The aim of this study is to explore the adsorption of 1-Adamantylamine drug on the pristine armchair boron nitride nanotubes (BNNTs) with BNNT(5,5), BNNT(6,6), and BNNT(7,7) chirality along with the P, As, Al and Ga-doped BNNTs, using the quantum mechanical density functional methods. Considering the fact that dispersion effects are important in the case of weak Van der Waals interactions, computations have been done using B3LYP hybrid functional with the implementation of the D3(BJ) empirical dispersion correction methods. Quantum theory of atoms in molecules, natural bonding orbitals, and Kohn–Sham orbitals were used to investigate the nature and type of the adsorption process. The results showed that, while the adsorption of 1-Adamantylamine on the outer surface of pristine BNNT is physical in nature, doping can improve the ability of detracted BN to adsorb the drug through chemical bonds. Also, it was found that, by increasing the radius of the BNNT the adsorption energy was decreased. In conclusion, results of the present work suggest that, Ga doped nanotube, due the chemisorption, is not an ideal nanotube in drug delivery of 1-Adamantylamine drug, whereas, the other studied cases physiosorbed the drug, and may not have serious problem in release of the 1-Adamantylamine drug.

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Section: Introductionmentioning

confidence: 99%

Quantum DFT methods to explore the interaction of 1-Adamantylamine with pristine, and P, As, Al, and Ga doped BN nanotubes

Nemati‐Kande

Pourasadi

Aghababaei

et al. 2022

Sci Rep

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“…Therefore, larger Cu-rich areas in FSPS_2, compared with FSPS_1, resulted in lower electrical resistance and higher thermal diffusivity, and vice versa. Moreover, a sample that retains its nanostructure during the sintering process will have a higher hardness [ 49 , 50 , 51 ]. As shown in Figure 3 and Figure 4 , FSPS_1 had a homogeneous nanostructure at its center and edges, while the grain size in the center of FSPS_2 was in the micron and sub-micron range; therefore, the hardness of FSPS_2 was lower than that of FSPS_1.…”

Section: Resultsmentioning

confidence: 99%

Electrical and Heat Distributions and Their Influence on the Mass Transfer during the Flash Spark Plasma Sintering of a Cu/Cr Nanocomposite: Experiments and Numerical Simulation

et al. 2022

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The nanocomposite Cu–Cr powder was consolidated by flash spark plasma sintering (FSPS), which involves applying an extremely rapid change in the electrical power passing through the bulk of the sample. It was demonstrated that an essentially fully dense material could be obtained in 15 s. Such short-term treatment typically preserves the nanostructured features of the material. However, investigation revealed a nonuniformity in the microstructure of the alloys obtained under such extreme conditions. To better understand the observed effects, the FSPS process was simulated. It was observed that a rapid change in the applied electrical power resulted in nonuniform distributions of current density and temperature along the body of the consolidated material. Specifically, the current density was higher on the periphery of the sample, and the temperature was higher in the middle. These findings explain the observed structural transformation during FSPS and suggest an optimization strategy to avoid microstructural nonuniformity.

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“…Process based regulatory approaches are already discussed in every section as per requirement. Apart from that some monitoring based or numerical model based or assistance based approaches are there which can improve the quality of laser welding in lesser time and costing [ 173 , 174 , 175 ]. Some cognitive assessment method has been introduced for quality checking of laser welding.…”

Section: New Regulatory Approachesmentioning

confidence: 99%

Progressive developments and challenges in dissimilar laser welding of steel to various other light alloys (Al/Ti/Mg): A comprehensive review

Ghosh

Sen

Chattopadhyaya

et al. 2022

Heliyon

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Effect of boron on the structural stability, mechanical properties, and electronic structures of γ′-Ni3Al in TLP joints of nickel-based single-crystal alloys

Cited by 49 publications

References 24 publications

Quantum DFT methods to explore the interaction of 1-Adamantylamine with pristine, and P, As, Al, and Ga doped BN nanotubes

Quantum DFT methods to explore the interaction of 1-Adamantylamine with pristine, and P, As, Al, and Ga doped BN nanotubes

Electrical and Heat Distributions and Their Influence on the Mass Transfer during the Flash Spark Plasma Sintering of a Cu/Cr Nanocomposite: Experiments and Numerical Simulation

Progressive developments and challenges in dissimilar laser welding of steel to various other light alloys (Al/Ti/Mg): A comprehensive review

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