Stability of the Al/TiB 2  interface and doping effects of Mg/Si

Deng, Chao; Xu, Bo; Wu, Peng; Li, Qiulin

doi:10.1016/j.apsusc.2017.06.227

Cited by 50 publications

(60 citation statements)

References 26 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The calculated value ∆H 0 f (TiB 2 is −3.22 eV. The calculated values of the surface energy of B and Ti terminated of TiB 2 (0001) surface are in the ranges of 2.69 to 5.89 J/m 2 and 5.23 to 2 J/m 2 , respectively, which are consistent with the results reported in Ref [17]. With the increase of the ∆µ Ti , the surface energy of B-termination decreases linearly, while that of Ti-termination is the opposite.…”

supporting

confidence: 90%

“…The results showed that the interface energy of Mg/TiB 2 was greater than that of α-Mg/Mg melt, which was not conducive to heterogeneous nucleation. Deng et al [ 17 ] revealed the grain refinement mechanism of Al-Ti-B in Al-Si alloy by analyzing the Al/TiB 2 interface energy, indicating that a new phase Al 3 Ti was formed at the Ti-rich termination, which could be used as a nucleation center. Bai et al [ 18 ] prepared TiC/316L stainless steel by SLM and calculated the interface properties of TiC/γ-Fe using first principles, indicating that TiC can promote the heterogeneous nucleation of γ-Fe.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

First Principle Study of TiB2 (0001)/γ-Fe (111) Interfacial Strength and Heterogeneous Nucleation

2021

View full text Add to dashboard Cite

TiB2/316L stainless steel composites were prepared by selective laser melting (SLM), and the adhesion work, interface energy and electronic structure of TiB2/γ-Fe interface in TiB2/316L stainless steel composites were investigated to explore the heterogeneous nucleation potential of γ-Fe grains on TiB2 particles using first principles. Six interface models composed of three different stacking positions and two different terminations were established. The B-terminated-top 2 site interface (“B-top 2”) was the most stable because of the largest adhesion work, smallest interfacial distances, and smallest interfacial energy. The difference charge density and partial density of states indicated that a large number of strong Fe-B covalent bonds were formed near the “B-top 2” interface, which increased the stability of interface. Fracture analysis revealed that the bonding strength of the “B-top 2” interface was higher than that of the Fe matrix, and it was difficult to fracture at the interface. The interface energy at the Ti-poor position in the “B-top 2” interface model was smaller than that of the γ-Fe/Fe melt, indicating that TiB2 had strong heterogeneous nucleation potency for γ-Fe.

show abstract

supporting

confidence: 90%

Section: Introductionmentioning

confidence: 99%

First Principle Study of TiB2 (0001)/γ-Fe (111) Interfacial Strength and Heterogeneous Nucleation

2021

View full text Add to dashboard Cite

show abstract

“…The value of W ad can be calculated by formula (2). 24 where E slab ZrO 2 is the energy for the Sn(100) slab, E slab Sn is the energy for the ZrO 2 (111) slab, and E interface Sn∕ZrO 2 is the energy for the Sn(100)/ ZrO 2 (111) interface in the same supercell. A is the interfacial area.…”

Section: Resultsmentioning

confidence: 99%

“…The work of adhesion ( W ad ) was calculated by formula () to evaluate the bonding strength of the interface structure. The value of W ad can be calculated by formula () 24

W_{ad} = (E_{{ZrO}_{2}}^{slab} + E_{Sn}^{slab} ‐ E_{Sn false/ {ZrO}_{2}}^{interface}) / A,

where

E_{{ZrO}_{2}}^{slab}

is the energy for the Sn(100) slab,

E_{Sn}^{slab}

is the energy for the ZrO 2 (111) slab, and

E_{Sn / {ZrO}_{2}}^{interface}

is the energy for the Sn(100)/ ZrO 2 (111) interface in the same supercell.…”

Section: Resultsmentioning

confidence: 99%

Study on the effect of Ti, Al, Cu, and Ag doping on the bonding properties of soldered β‐Sn(100)/ZrO₂(111) interface

Guo

She

Xue

et al. 2020

Int J Applied Ceramic Tech

View full text Add to dashboard Cite

Selecting active elements for filler metal is very important in soldering of ZrO 2 ceramics. In this paper, the effects of Ti, Al, Cu, and Ag active elements on the bonding strength and electronic structures of soldered β-Sn(100)/ZrO 2 (111) interface were studied via the method of first principle calculation. The work of adhesion (W ad) results show that the O 2-terminated interface is more stable than other kinds of interfaces. Then, the atoms of Ti, Al, Cu, and Ag were doped into the interface by replacing the Sn atom in situ. It is found that additions of Ti, Al, and Cu atoms can increase the W ad , and Ag atom has the opposite effect. From the results of heat of segregation, doping Ti and Al into the interface is stable in thermodynamics and doping Cu and Ag is not stable. The forming of strong ionic-covalent Ti-O and Al-O bonding contributes to the increase of the interfacial adhesion strength. The calculation results indicate that Ti and Al can act as active elements in Sn to solder ZrO 2. The Ti-O and Al-O compounds formed at interface can improve the wetting and bonding between Sn-based solder and ZrO 2 ceramics.

show abstract

“…As a candidate for engineering materials, a ceramic reinforced Al matrix composite combined a high elastic modulus, strength and hardness of ceramics and the low density and high ductility of Al [ 1 , 2 , 3 , 4 ], leading to the characteristics of being lightweight and having a high level of strength of ceramic/Al composites. Besides the increase of specific strength and modulus, the addition of ceramics including TiC, TiB 2 , SiC and B 4 C [ 5 , 6 , 7 , 8 , 9 ] decreases the tenacity of an Al matrix, resulting in the possibility of brittle rupture. The corresponding shortcomings restrict the practical application of ceramic/Al composites.…”

Section: Introductionmentioning

confidence: 99%

Study on the Mechanical Properties of Bionic Coupling Layered B4C/5083Al Composite Materials

et al. 2018

View full text Add to dashboard Cite

Based on microstructure characteristics of Meretrix lusoria shell and Rapana venosa shell, bionic coupling layered B4C/5083Al composites with different layered structures and hard/soft combination models were fabricated via hot pressed sintering. The simplified bionic coupling models with hard and soft layers were similar to layered structure and hardness tendency of shells, guiding the bionic design and fabrication. B4C/5083Al composites with various B4C contents and pure 5083Al were treated as hard and soft layers, respectively. Hot pressed sintering maintained the designed bionic structure and enhanced high bonding strength between ceramics and matrix. Compared with B4C/5083Al composites, bionic layered composites exhibited high mechanical properties including flexural strength, fracture toughness, compressive strength and impact toughness. The hard layers absorbed applied loads in the form of intergranular fracture. Besides connection role, soft layers restrained slabbing phenomenon and reset extension direction of cracks among layers. The coupling functions of bionic composites proved the feasibility and practicability of bionic fabrication, providing a new method for improvement of ceramic/Al composite with properties of being lightweight and high mechanical strength.

show abstract

Stability of the Al/TiB 2 interface and doping effects of Mg/Si

Cited by 50 publications

References 26 publications

First Principle Study of TiB2 (0001)/γ-Fe (111) Interfacial Strength and Heterogeneous Nucleation

First Principle Study of TiB2 (0001)/γ-Fe (111) Interfacial Strength and Heterogeneous Nucleation

Study on the effect of Ti, Al, Cu, and Ag doping on the bonding properties of soldered β‐Sn(100)/ZrO₂(111) interface

Study on the Mechanical Properties of Bionic Coupling Layered B4C/5083Al Composite Materials

Contact Info

Product

Resources

About

Stability of the Al/TiB 2 interface and doping effects of Mg/Si

Cited by 50 publications

References 26 publications

First Principle Study of TiB2 (0001)/γ-Fe (111) Interfacial Strength and Heterogeneous Nucleation

First Principle Study of TiB2 (0001)/γ-Fe (111) Interfacial Strength and Heterogeneous Nucleation

Study on the effect of Ti, Al, Cu, and Ag doping on the bonding properties of soldered β‐Sn(100)/ZrO2(111) interface

Study on the Mechanical Properties of Bionic Coupling Layered B4C/5083Al Composite Materials

Contact Info

Product

Resources

About

Study on the effect of Ti, Al, Cu, and Ag doping on the bonding properties of soldered β‐Sn(100)/ZrO₂(111) interface