Revealing the phase-interface properties of the TiB2/TiAl composite from a first principles calculations

Y Wang, H Yue, J Yang, Q Yin, R Li, G Fan - Materials Today …, 2024 - Elsevier
Revealing the interfacial properties of TiB 2/TiAl composites is essential for understanding
the mechanism for TiAl alloys reinforced by ceramic particles of TiB 2. In this work, the …

Experimental and first-principles study on TiB/TiC interface in hybrid (TiB+ TiC)/Ti6Al4V composite

Q An, S Wang, L Huang, C Wang, Q Qian, Y Jiang… - Ceramics …, 2022 - Elsevier
To understand the synergistic strengthening mechanism of hybrid TiB+ TiC reinforcements
in Ti matrix composites, the corresponding TiB/TiC interfacial characters and load-bearing …

Insights into the interfacial bonding strength of TiB/Ti: A first principles study

R Fan, Q Zheng, Y Liu, T Fan - Journal of Applied Physics, 2019 - pubs.aip.org
First-principles calculations are performed to study the strength and nature of interfacial
bonding at TiB/Ti interfaces. Sixteen (100) TiB/(10 1 0) α-Ti interface models considering …

Revealing the interface properties of the Ti2AlC/TiAl composite from a first principles investigation

X Pei, M Yuan, H Wang, G Liang, Y Miao, M Li… - Applied Surface …, 2023 - Elsevier
In order to systematically study the interface properties of Ti 2 AlC/TiAl composite from an
atomic perspective, based on the interface orientation relations obtained by the high …

First-principles investigation of interface atomic arrangement and segregation behavior of solute elements in Al/TiC interface in TiC/2219 composites

Z Xiao, D Zhao, J Hu, Z Dai, S Xiao, J Hu… - Materials Today …, 2024 - Elsevier
The interface atomic arrangement and solute element segregation behavior at the Al/TiC
interface in TiC/2219 composite material were systematically studied using first-principles …

Investigation on the effect of alloying elements on the Ti2AlC/TiAl interfacial properties: first-principles prediction and experimental verification

P Liu, Z Liu, Z Wang, A Wang, J Xie, B Hou - Materials Today …, 2023 - Elsevier
In the present work, the effect of alloying elements Cr, Nb, Mo, V on the Ti 2 AlC/TiAl
interfacial properties was studied via first-principles calculation. The results showed that all …

First-principles study of adhesion strength and stability of the TiB2/TiC interface in composite materials

X Song, Y Han, X Wang, W Liu, J Wu, H Cui - Ceramics International, 2018 - Elsevier
The properties of a TiC (0 1 0) surface, a TiB 2 (0 1 1¯ 0) surface, and TiC (0 1 0)/TiB 2 (0 1
1¯ 0) interfaces were investigated by first-principles calculations. The work of adhesion (W …

Regulation of the interface binding and mechanical properties of TiB/Ti via doping-induced chemical and structural effects

T Zhang, N Zhao, C Shi, C He, E Liu - Computational Materials Science, 2020 - Elsevier
In order to enhance the mechanical properties of TiB/Ti composites through interface
modulation, in this study, the interface binding and mechanical properties of clean, Zn, Y, Al …

Electronic structures and properties of TiAl/Ti2AlNb heterogeneous interfaces: A comprehensive first-principles study

C Zou, J Li, L Zhu, Y Zhang, G Yao, B Tang, J Wang… - Intermetallics, 2021 - Elsevier
The electronic structures and properties of ten TiAl/Ti 2 AlNb heterogeneous interfaces with
three Ti 2 AlNb phases (B2, D0 19, O) and different terminations/boundaries were …

Influence of alloying elements on stability and adhesion ability of TiAl/TiO2 interface by first-principles calculations

JH Dai, Y Song, R Yang - Intermetallics, 2017 - Elsevier
First-principles calculations were performed to study the adhesion of the M alloyed TiAl and
TiO 2 interface (M= Si, Cr, Co, Ni, Y, Zr, Nb, Mo, Pd, and W). The occupation of alloying …