Influence of temperature gradient bonding on the micromorphology and shear performance of Sn-based solder joints: Experiments and first principles calculations

Z Zhang, W Chen, X Hu, G Yi, B Chen, J Wang… - Journal of Manufacturing …, 2024 - Elsevier
In electronic packaging technology, solid-liquid interdiffusion bonding processes under
temperature gradients allow for rapid preparation of intermetallic compounds (IMCs). In this …

Structural, mechanical and electronic properties of (TaNbHfTiZr) C high entropy carbide under pressure: Ab initio investigation

Y Yang, W Wang, GY Gan, XF Shi, BY Tang - Physica B: Condensed Matter, 2018 - Elsevier
The structural, mechanical and electronic properties of (TaNbHfTiZr) C high entropy carbide
are studied by using density functional theory in conjunction with special quasi-random …

Elastic anisotropy and thermal properties of Zr-Al-N ternary nitrides using first-principles explorations

Y Wu, Y Duan, X Wang, M Peng, L Shen… - Materials Today …, 2022 - Elsevier
First-principles calculations based on density functional theory (DFT) were employed to
explore the anisotropies in elastic and thermal properties of six Zr-Al-N ternary nitrides (Zr 2 …

[HTML][HTML] Anisotropic Elastic and Thermal Properties of M2InX (M = Ti, Zr and X = C, N) Phases: A First-Principles Calculation

B Li, Y Duan, M Peng, L Shen, H Qi - Metals, 2022 - mdpi.com
First-principles calculations were used to estimate the anisotropic elastic and thermal
properties of Ti2lnX (X= C, N) and Zr2lnX (X= C, N) M2AX phases. The crystals' elastic …

Effect of Ni do** on elastic properties, fracture toughness, electronic properties, and thermal conductivity of η'-Cu6Sn5 in Sn-Cu solder: A first-principles calculation

S Xu, A Yang, Y Duan, M Li, M Peng - Materials Today Communications, 2023 - Elsevier
The phase stability, elastic properties, fracture toughness, electronic structure and thermal
conductivity of Ni-doped η'-Cu 6 Sn 5 have been obtained using first-principles calculations …

Elastic anisotropy and thermal properties of MBN (M= Al, Ga) systems using first-principles calculations

C Yang, Y Duan, J Yu, M Peng, S Zheng, M Li - Vacuum, 2023 - Elsevier
In this paper, the elastic properties, Debye temperatures, thermal conductivities, and sound
velocities of MBN nitrides are explained systematically by considering the first-principles …

The influence of vacancy defects on elastic and electronic properties of TaSi (5/3) desilicides from a first-principles calculations

J Chen, X Zhang, C Ying, H Ma, J Li, F Wang… - Ceramics International, 2020 - Elsevier
As so far, the investigation and application of transition metal silicon-based materials have
attracted wide attention. Tantalum-based silicides are one of the most important silicon …

Theoretical explorations of structure, mechanical properties, fracture toughness, electronic properties, and thermal conductivity of Ag-doped η′-Cu6Sn5

A Yang, Y Duan, C Li, J Yi, M Peng - Intermetallics, 2022 - Elsevier
In this work, the phase stability, elasticity, fracture toughness, electronic characteristics and
thermal conductivity of Ag-doped η′-Cu 6 Sn 5 were explored based on the first-principles …

Effects of nitrogen concentration on the microstructure and mechanical properties of nanocrystalline (TiZrNbTaMo) N high-entropy nitride coatings: Experimental …

Y Zhao, M Jiang, J Xu, ZH ** process: A DFT study
X Ma, X Huang, H Zhang, X Hu, T Feng - Chemical Engineering Journal, 2023 - Elsevier
Calcium loo** has been recognized as a key technology for both CO 2 capture and
concentrated solar energy storage. The inert support is significant in improving the sintering …