The Reaction Thermodynamics during Plating Al on Graphene Process

Zhao, Zhanyong; Bai, Peikang; Li, Liang; Li, Jing; Wu, Liyun; Huo, Pengcheng; Tan, Le

doi:10.3390/ma12020330

Cited by 44 publications

(13 citation statements)

References 33 publications

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“…The results show that when the load is high, the wear rate of the unreinforced matrix and the reinforced composite is more different. Compared with the 316Lss matrix, mainly because of the increase in hardness and strength, the wear performance of the composite under a low load is improved [23,24,25]. In particular, the work hardening ability of the TiC/316Lss composites is improved due to the presence of the TiC particles under higher loads.…”

Section: Resultsmentioning

confidence: 99%

Tribological Behavior of TiC Particles Reinforced 316Lss Composite Fabricated Using Selective Laser Melting

Zhao

Bai

et al. 2019

Materials

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In order to improve the abrasion performance of 316Lss, make full use of its advantages and broaden its application fields, the tribological behavior of the TiC particles reinforced 316Lss composites—which were manufactured by selective laser melting (SLM)—were investigated. In this study, GCr15 bearing steel was selected as the friction material and experiments on the sliding friction and wear under different loads of 15 N, 25 N and 35 N at the sliding speeds of 60, 80 and 100 mm/min were carried out, respectively. The results show that the wear performance of the TiC/316Lss composite is higher than that of the matrix during the friction and wear experiments under all conditions and the wear rate of the TiC/316Lss composite decreases with increasing the friction rate. Similar to the wear mechanism under different loads, it changes from abrasive wear to delamination wear and severe oxidative wear. At the same time, the mechanical mixed layer formed at a high speed has a protective effect on the matrix. The reason for this phenomenon is that the mechanical properties of the TiC/316Lss composites are significantly improved due to the addition of TiC particles, the refinement of cells near the TiC particles and the formation of a large number of dislocations. In addition, due to the presence of the TiC particles, the hardness and strength of the TiC/316Lss composites are greatly improved, thus the processing hardening ability of sub-surface has been improved.

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Section: Resultsmentioning

confidence: 99%

Tribological Behavior of TiC Particles Reinforced 316Lss Composite Fabricated Using Selective Laser Melting

Zhao

Bai

et al. 2019

Materials

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“…The Lowdin spin population was used in order to apply the constraint. The ab initio thermodynamics properties such as the reaction free energy i.e., ∆G, [48][49][50] were computed by applying standard DFT as well spin-constraint CDFT methodologies. The solvent effect on the energies for the activation of the artemisinin has also been studied, by using the COSMO 51,52 approach in different solvents medium at B3LYP/6-311G (d,p) level.…”

Section: Computational Detailsmentioning

confidence: 99%

Non-reductive Homolytic Scission of Endoperoxide Bond for Activation of Artemisinin: The Bi-radical Perspectives

Sharma

Ali²

2021

Preprint

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Artemisinin is the most famous antimalarial drug against malaria caused by Plasmodium falciparum. Despite its tremendous success and popularity in malaria therapeutics, the molecular mechanism of artemisinin’s activity is still elusive. The activation of artemisinin, i.e., cleavage of the endoperoxide bond at the infected cell that generates radical intermediates and the subsequent chemical rearrangements plays a key role in the antimalarial activities. In this work, applying state-of-the-art computational techniques based on the spin constraint density functional theory (CDFT) along with ab initio thermodynamics, we have investigated various key steps of the molecular mechanism of artemisinin. The well-accepted artemisinin activation process is the reductive heterolytic scission of the endo-peroxide bond which is followed by subsequent chemical reactions that propagate via mono-radical intermediates. Here adopting the CDFT we have investigated the possible alternative ‘biradical’ intermediates and their mechanistic pathways for the subsequent chemical reactions. The change in Gibbs free energy associated with the activation of artemisinin through homolytic-scissoring (biradical) intermediate is quite competitive and favorable compared to the reductive heterolytic-scissoring (monoradical) process. This clearly indicates the alternative possibilities for the biradical activation process. The reported experimental EPR signals for the biradicals especially for similar anti-malarial drugs like G3-factor support our observations.

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“…Traditional processes such as casting or sintering are also used to make TiC-316L composites [10], but it is difficult to solve the uneven dispersion of reinforcing particles [11]. Compared with the traditional moulding method [12], SLM can produce materials with finer cells, while cell refinement can improve the strength and hardness of materials without loss of plasticity [13][14][15][16]. Therefore, many domestic and foreign scholars have conducted a great deal of research on SLM-formed 316Lss.…”

Section: Introductionmentioning

confidence: 99%

Microstructure and Mechanical Properties of TiC-Reinforced 316L Stainless Steel Composites Fabricated Using Selective Laser Melting

Zhao

Bai

et al. 2019

Metals

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TiC/316L stainless steel (316Lss) metal matrix composite parts have been formed using selective laser melting (SLM). In this study, we have investigated the influence of the TiC mass fraction on the microstructure evolution, microhardness, friction properties, wear properties, and corrosion resistance of the TiC/316Lss composites. The results show that the microhardness increased by the addition of the TiC mass fraction. In terms of friction and wear properties, the corrosion resistance initially increased, and then decreased. Compared with the pure 316Lss (298.3 HV0.2), the microhardness of the TiC/316Lss composites, which were formed with 2 wt% TiC, was raised to 335.2 HV0.2, which was a 12.4% increase, while the average friction coefficient was 0.123. The reason for this is that the addition of TiC can effectively refine the cell size, and as the TiC content increases, the refinement effect is more obvious. During the melting process, TiC particles act as nucleation centres, hindering the growth of crystal cells, promoting the formation of the austenite phase, and forming fine equiaxed structures, which increases the strength. However, excessive TiC particles aggravate the spheroidisation during the process of SLM, leading to increased defects, as well as a decrease in density and corrosion resistance.

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The Reaction Thermodynamics during Plating Al on Graphene Process

Cited by 44 publications

References 33 publications

Tribological Behavior of TiC Particles Reinforced 316Lss Composite Fabricated Using Selective Laser Melting

Tribological Behavior of TiC Particles Reinforced 316Lss Composite Fabricated Using Selective Laser Melting

Non-reductive Homolytic Scission of Endoperoxide Bond for Activation of Artemisinin: The Bi-radical Perspectives

Microstructure and Mechanical Properties of TiC-Reinforced 316L Stainless Steel Composites Fabricated Using Selective Laser Melting

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