Article
Materials Science, Multidisciplinary
Jie Zhang, Daya Wang, Baijun Yan
Summary: The study accurately determined the Henrian activity coefficient of Nb and the interaction parameters of Mn and V to Nb in liquid iron, providing important data for investigating the properties of niobium alloys.
METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE
(2021)
Article
Chemistry, Physical
Bingke Li, Chenghua Zhang, Zhehao Sun, Tao Han, Xiang Zhang, Jia Du, Jiexue Wang, Xiuchan Xiao, Ning Wang
Summary: This study uses first-principles calculations to investigate the thermoelectric properties of Tl3XSe4. The results show that Tl3XSe4 exhibits excellent thermoelectric performance, making it a potential high-performance thermoelectric material.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Yuchi Wang, Daniel Freiberg, Yang Huo, Wenhui Zhu, Robert Williams, Mei Li, Yunzhi Wang
Summary: The three-dimensional shapes of Al6Mn precipitates in Al-alloys with Mn are still unclear. A phase-field model was formulated to simulate the growth process, equilibrium shapes, and habit planes of Al6Mn precipitates in 3D as a function of size. The derived lattice site correspondences between Al6Mn and Al-matrix phases were confirmed by crystallographic analysis and transformation strain calculations, and the simulated precipitate shapes can be compared with TEM images for better understanding of precipitate shapes in specific alloys.
Article
Chemistry, Physical
Ya Ya Wang, Xun-Lei Ding, Zhi-Wen Ji, Xiao-Meng Huang, Wei Li
Summary: In this study, the dissociative adsorption of N-2 on heteronuclear trimetallic MFe2 and M2Fe (M=V, Nb, and Ta) clusters was investigated using density functional theory calculations. It was found that M2Fe exhibits higher reactivity than MFe2, and Nb2Fe shows the highest reactivity towards N-2. Additionally, clusters containing tantalum have a superior ability to activate the N-N bond. Therefore, doping with vanadium group metals can improve the performance of iron-based catalysts.
Article
Nanoscience & Nanotechnology
A. Gedsun, S. Antonov, T. S. Prithiv, M. Palm
Summary: The composition of the metastable L21 Heusler phase in Fe2AlX alloys (X = Nb, Ta) was determined using atom probe tomography. It was found that the composition of L21 is off-stoichiometric in both systems, but closer to stoichiometric in Fe-Al-Ta alloy. L21 dissolves faster in Fe-Al-Nb(-B) alloy, leading to quicker formation of the stable C14 Laves phase. Doping with boron does not result in the formation of borides, but slight enrichment of boron at the grain boundary of the Fe-Al matrix covered with C14 precipitates is observed.
SCRIPTA MATERIALIA
(2023)
Article
Materials Science, Multidisciplinary
Raihan Ahammed, Abir De Sarkar
Summary: Two-dimensional h-MN (M = Nb, Ta) monolayers with strong spin-orbit coupling and merging Rashba effect with valley physics are discovered. Tunable valley spin splitting and Rashba spin splitting are achieved through in-plane biaxial strain and out-of-plane electric field. These monolayers exhibit higher Berry curvature and spin splitting compared to other materials.
Article
Chemistry, Physical
Xinlin Yan, Pavel Broz, Jan Vrestal, Jiri Vlach, Jiri Bursik, Martina Mazalova, Jana Pavlu, Bedrich Smetana, Gerda Rogl, Markus Eiberger, Andriy Grytsiv, Herwig Michor, Herbert Mueller, Gerald Giester, Peter Rogl
Summary: The constitution of the two phase diagrams Nb-Mn and Ta-Mn has been determined using various methods, revealing the characteristics of binary compounds, congruent melting, and eutectic reactions. The detailed distribution of atom sites in the Laves phases has been established.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Ting Zhao, Chen Chen, Yuefeng Wang, Tiansheng Wang, Guoliang Sheng, Yanming He
Summary: The tensile and low-cycle fatigue properties of Fe-Mn-Al-C austenitic steels with and without Nb-V microalloying are comparatively analyzed. The Nb-V microalloyed steel exhibits higher strength and lower elongation. It shows continuous cyclic softening behavior. The fatigue life of the Nb-V microalloyed steel is higher at strain amplitudes of 0.4% and 0.6%, but lower at 0.8%, compared to the non-microalloyed steel. The microstructures of the steels after fatigue testing exhibit parallel deformation bands composed of planar dislocations. The precipitation of (Nb,V) C positively influences the fatigue life improvement compared to k-carbides.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Materials Science, Multidisciplinary
Fernando L. Reyes Tirado, David C. Dunand
Summary: The newly discovered CoeNbeV- and CoeTaeV-based superalloys exhibit excellent creep resistance due to a stable gamma+gamma' microstructure achieved with additional elements such as Ni, Cr, Ti, and Al. By increasing the concentration of all gamma'-formers, the alloys show a higher gamma'-volume fraction, with high stability and no formation of other phases even after aging at high temperatures.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Materials Science, Multidisciplinary
Jia-Cheng Liang, Xiao-Wei Li, Jian-Chun Wu, Zhi-Xian Wei, Xue-Lin Wang
Summary: This study investigated the effects of hydrogen solution in W-TM alloys on energetics, bond length, electronic structure, and mechanical properties using density functional theory. The results showed that WV alloy has the strongest trapping ability for hydrogen atoms and the strongest interaction between them. With the increase of H impurity atoms, hydrogen is more likely to form aggregation in W-TM alloys.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Chemistry, Physical
Lu Chen, Youbing Li, Kun Liang, Ke Chen, Mian Li, Shiyu Du, Zhifang Chai, Michael Naguib, Qing Huang
Summary: This study reports the design and synthesis of Ga-containing medium/high entropy MAX phases and their corresponding MXenes. Ga atomic layer etching is carried out using a Lewis acid molten salt (CuCl2). The as-prepared (Ti1/4V1/4Nb1/4Ta1/4)(2)CTx exhibits a Li+ specific capacity of approximately 400 mAh g(-1). For (Ti1/5V1/5Nb1/5Ta1/5Mo1/5)(2)CTx, a specific capacity of 302 mAh g(-1) is achieved after 300 cycles, and high cycling stability is observed at high current densities. This work is of great significance for expanding the family members of MXenes with tunable chemistries and structures.
Article
Materials Science, Multidisciplinary
Yanli Wang, Yi Ding
Summary: Researchers have discovered a new family of layered MA(2)Z(4) materials with phase-dependent electronic properties. By conducting first-principles calculations, they investigated the effects of hydrogenation on the structural phases and electronic properties of group V MSi2N4 nanosheets. They found that hydrogenation induces structural transitions and significantly affects the electronic properties of the nanosheets.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Physics, Multidisciplinary
Yifan Han, Yue Shang, Wenhui Wan, Yong Liu, Yanfeng Ge
Summary: The study investigates the phonon-mediated superconductivity in 2D metal borides (MB4) using first-principles calculations. It analyzes the electron-phonon coupling and superconductivity of AB-stacked MBenes and finds that NbB4 has the highest superconducting transition temperature of 35.4 K. The study expands the 2D superconducting boride family, which is of great significance for the study of 2D superconductivity.
NEW JOURNAL OF PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Ting Zhao, Shengwei Rong, Xiaohong Hao, Yuefeng Wang, Chen Chen, Tiansheng Wang
Summary: In this study, the flow behavior and microstructure of Fe-Mn-Al-C austenitic steel and Nb-V microalloyed Fe-Mn-Al-C austenitic steel during uniaxial hot compression deformation were systematically investigated. The addition of Nb-V was found to significantly enhance the flow softening phenomenon of the steel at low temperatures and low strain rates, while having a marginal effect on the hot deformation activation energy. The uniformly distributed nano-sized (Nb,V)C particles in Nb-V microalloyed steel acted as nucleation sites for dynamic recrystallization, promoting the process and enhancing the hot deformation stability of the steel.
MATERIALS CHARACTERIZATION
(2022)
Article
Chemistry, Physical
Huang Liu, Jingxi Zhang, Chengshang Zhou, Pei Sun, Yong Liu, Zhigang Zak Fang
Summary: This paper investigates the effect of Nb alloying on the microstructure and hydrogen storage properties of Ti-Fe-Zr-Mn-Nbx alloys. The addition of 2% Nb enables a good combination of the hydrogen capacity and activation property, while Zr-rich phases play a critical role in the activation behavior. However, high Nb addition (> 4%) leads to the reduction of Zr-rich phases and deteriorates the activation kinetics. Nb addition also promotes the formation of the TiFe main phase and increases capacities at ambient temperature. The correlations between microstructure and hydrogen storage performance provide insights into tailoring hydrogen storage properties by alloying TiFe with multi-elements.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)