First-principles study of the binding preferences and diffusion behaviors of solutes in vanadium alloys

L Deng, X Zhang, J Tang, H Deng, S Xiao… - Journal of Alloys and …, 2016 - Elsevier
In order to elucidate the role of solutes in vanadium alloys, the solute diffusions and the
interactions of solute–solute and solute-vacancy have been investigated by means of the …

First-principles investigation of hydrogen interaction with Cu/WC interface

P Zhang, T Wu, J Tang, L Deng, L Wang… - Computational Materials …, 2023 - Elsevier
The WC-Cu composite used as a thermal barrier interlayer between tungsten and CuCrZr
heat sink can effectively alleviate the thermal strain mismatch. In this work, the interaction of …

Tellurium doping in MnS inclusions and corresponding modification effect: Experimental and first-principles study

X Xu, Y Li, Z Wang, X Zhang, Q Tian, J Fu… - … Materials Transactions A, 2023 - Springer
Te is sulfide inclusion morphology optimization element in steel, and Te doping in MnS
inclusions is considered the main mechanism for modification, but the mechanism of Te …

Local electronic descriptors for solute-defect interactions in bcc refractory metals

YJ Hu, G Zhao, B Zhang, C Yang, M Zhang… - Nature …, 2019 - nature.com
The interactions between solute atoms and crystalline defects such as vacancies,
dislocations, and grain boundaries are essential in determining alloy properties. Here we …

Precipitate/vanadium interface and its strengthening on the vanadium alloys: A first-principles study

X Zhang, Y Li, J Tang, L Deng, W Li, L Wang… - Journal of Nuclear …, 2019 - Elsevier
The precipitates of second phases with coherent or incoherent interfaces can interact with
dislocations to act as slip obstacles that can significantly improve the mechanics properties …

The taming of the screw: Dislocation cores in BCC metals and alloys

R Wang, L Zhu, S Pattamatta, DJ Srolovitz, Z Wu - Materials Today, 2024 - Elsevier
Body-centred cubic (BCC) transition metals tend to be brittle at low temperatures, which
poses significant challenges in their processing and major concerns for damage tolerance …

Bcc V–Fe alloys for the hydrogen separation membranes: Hydrogen solubility and global character of alloying effect

VN Alimov, AO Busnyuk, SR Kuzenov… - Journal of Membrane …, 2022 - Elsevier
The membranes of V-alloys are a promising alternative to Pd-alloy membranes for ultrapure
hydrogen extraction. The hydrogen solubility in V–xFe alloys (x= 3.5, 4.0, 7.1, 8.8, and 13.1 …

Effect of transition metal impurities on the strength of grain boundaries in vanadium

X Wu, XS Kong, YW You, W Liu, CS Liu… - Journal of Applied …, 2016 - pubs.aip.org
Effects of 3d (Ti-Ni), 4d (Zr-Pd), and 5d (Hf-Pt) transition metal impurities on strength of two
representative vanadium grain boundaries (GBs), symmetric Σ3 (111) and asymmetric Σ5 …

The effects of interstitial impurities on the mechanical properties of vanadium alloys: A first-principles study

X Zhang, J Tang, L Deng, G Zhong, X Liu, Y Li… - Journal of Alloys and …, 2017 - Elsevier
This study aims to elucidate the effects of interstitial impurities on the mechanical properties
of vanadium alloys investigated by means of the first-principles computations. For this …

[HTML][HTML] Study on the plasticity enhancing mechanism of silver-based solid solution for electronic packaging

S Zhao, B Zheng, D Zhang, X Xie, Z Qu, Y Wang… - Journal of Materials …, 2024 - Elsevier
Ag-based solid solutions have gained significant attention in the electronic packaging field
due to their remarkable plasticity. In this work, the generalized planar fault energy (GPFE) …