First-principles calculations on wetting interface between Ag-Cu-Ti filler metal and SiC ceramic: Ag (1 1 1)/SiC (1 1 1) interface and Ag (1 1 1)/TiC (1 1 1) interface

Yang, Jian; Zheng, Yi; Huang, Jihua; Chen, Shuhai; Zhao, Yüe

doi:10.1016/j.apsusc.2018.08.074

Cited by 60 publications

(5 citation statements)

References 36 publications

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“…Transition‐metal carbide (TMC) is a kind of material with high melting point, high hardness, high thermal stability, and excellent corrosion resistance as well as special electrical, magnetic, and catalytic properties, which has been widely used in the field of machinery, mining, high‐temperature structural components, nuclear materials, and new catalytic materials 1‐3 …”

Section: Introductionmentioning

confidence: 99%

“…Transition-metal carbide (TMC) is a kind of material with high melting point, high hardness, high thermal stability, and excellent corrosion resistance as well as special electrical, magnetic, and catalytic properties, which has been widely used in the field of machinery, mining, high-temperature structural components, nuclear materials, and new catalytic materials. [1][2][3] Among all kinds of TMCs, vanadium carbide VC has attracted more attention all over the world due to its relatively low price of element V compared with W/Mo and relatively low formation energy, which is beneficial to control the precipitation of carbides. 4,5 As a strengthening phase, VC precipitates can improve the hardness and wear resistance of ferrous or nonferrous alloys.…”

Section: Introductionmentioning

confidence: 99%

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Intrinsic defects, Mo‐related defects, and complexes in transition‐metal carbide VC: A first‐principles study

et al. 2020

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Intrinsic defects, Mo‐related defects, and complexes in transition‐metal carbide VC: A first‐principles study

et al. 2020

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“…Generally, Al(111) and TiC(111) are desirable to form an interface with the bonding structure which has a more negative interface energy to obtain a more stable Al/TiC(111) interface. The interfacial energy

σ_{int}

of the Al/TiC(111) interface after full relaxation is expressed as following: 45

σ_{italicint} = \frac{E_{A l ‐ Me false/ T i C}^{italictotal} ‐ E_{A l ‐ M e} ‐ E_{italicTiC}}{A} ‐ γ_{A l ‐ M e} ‐ γ_{italicTiC} .

…”

Section: Resultsmentioning

confidence: 99%

Reaction behaviors and specific exposed crystal planes manipulation mechanism of TiC nanoparticles

Dong

Liu

et al. 2021

J Am Ceram Soc

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Titanium carbide (TiC) nanoparticles with well‐designed exposed crystal planes perform intriguing prospects for functional and engineering applications. In this study, a simple and controllable in situ synthesis strategy was proposed for the synthesis of TiC nanoparticles with specific morphology. Reaction behaviors suggested that most of TiC nanoparticles were formed by an instantaneous reaction between Al3Ti and Al4C3 in the Al‐rich melt and the resultant morphology was controlled by the discrepant growing rates of (100) and (111) crystal planes. In addition, a growth morphology control model was presented for the prediction and manipulation of the morphology of TiC nanoparticles by the doping of different alloying elements Me (Me = Cu, Mg, Mn, Zn, and Si). According to the morphological observations and density functional theory analyses including the interface energy, charge density differences, and orbital hybridization: Cu, Mg, and Zn atoms could stabilize the Al/TiC(111) interface, whereas Mn and Si atoms promoted the rapid growing and disappearance of the TiC(111) planes in the Al melt. This work provides a feasible way to intelligently design and manipulate TiC nanoparticles with desirable exposed crystal planes, and exhibits a promising prospect for personalized applications.

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“…Kavitha et al [22] investigated structural, electronic, mechanical and superconducting properties of CrC and MoC carbides with different crystal structures and found thatWC structure is the most stable structure at normal pressure. Yang et al [23,24] researched the interfacial combination of NbC (111)/NbN (111) interface and indicated that stacking sequence plays an important role on the interfacial stability. It seems that first-principles calculation is an effective method to investigate the stability, mechanical properties and interfacial combination of materials.…”

Section: Introductionmentioning

confidence: 99%

Micro-properties of (Nb,M)C carbide (M= V, Mo, W and Cr) and precipitation behavior of (Nb,V)C in carbide reinforced coating

Zhao

Xing

Guo

et al. 2019

Journal of Alloys and Compounds

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In this work, the Micro-properties such as stability, mechanical parameter and bonding structures of (Nb,M)C carbides (M ¼ V, Mo, W and Cr) were calculated. And the misfit and interfacial combination between (Nb,M)C carbides and Fe matrix were investigated by first principles calculation. The precipitation behavior of (Nb,V)C carbides were studied. The element V distribution of the carbide in the coatings were analyzed by experiments. The calculation results show that, in the (Nb,M)C carbides, the lattice constant and formation energy of Nb0.75V0.25C carbide are the smallest, and its hardness and brittleness are the largest. According to bonding analysis, Nb-C covalent bonds are the main factor for its high hardness in Nb0.75V0.25C carbide. The combination between carbide and Fe matrix is improved from the results of misfit and adhesion work. Based on the diagrams of the hardfacing alloys with different V contents, the fraction of MC carbides is increased with increase of V contents, and VC carbide can precipitate when V content is high enough. It indicates that element V can be introduced into NbC carbide from the chemical elements analysis experiments.

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First-principles calculations on wetting interface between Ag-Cu-Ti filler metal and SiC ceramic: Ag (1 1 1)/SiC (1 1 1) interface and Ag (1 1 1)/TiC (1 1 1) interface

Cited by 60 publications

References 36 publications

Intrinsic defects, Mo‐related defects, and complexes in transition‐metal carbide VC: A first‐principles study

Intrinsic defects, Mo‐related defects, and complexes in transition‐metal carbide VC: A first‐principles study

Reaction behaviors and specific exposed crystal planes manipulation mechanism of TiC nanoparticles

Micro-properties of (Nb,M)C carbide (M= V, Mo, W and Cr) and precipitation behavior of (Nb,V)C in carbide reinforced coating

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First-principles calculations on wetting interface between Ag-Cu-Ti filler metal and SiC ceramic: Ag (1 1 1)/SiC (1 1 1) interface and Ag (1 1 1)/TiC (1 1 1) interface

Cited by 60 publications

References 36 publications

Intrinsic defects, Mo‐related defects, and complexes in transition‐metal carbide VC: A first‐principles study

Intrinsic defects, Mo‐related defects, and complexes in transition‐metal carbide VC: A first‐principles study

Reaction behaviors and specific exposed crystal planes manipulation mechanism of TiC nanoparticles

Micro-properties of (Nb,M)C carbide (M= V, Mo, W and Cr) and precipitation behavior of (Nb,V)C in carbide reinforced coating

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Product

Resources

About

First-principles calculations on wetting interface between Ag-Cu-Ti filler metal and SiC ceramic: Ag (1 1 1)/SiC (1 1 1) interface and Ag (1 1 1)/TiC (1 1 1) interface