Article
Physics, Condensed Matter
Rasoul Khaledialidusti, Mohammad Khazaei, Vei Wang, Nanxi Miao, Chen Si, Jianfeng Wang, Junjie Wang
Summary: MBenes family, comprised of 2D transition metal borides, are synthesized by chemically exfoliating MAB phases. The hexagonal phase transition metal borides are predicted to be more stable than their corresponding orthorhombic phase.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2021)
Article
Chemistry, Physical
Yong Pan
Summary: The research demonstrates that transition metals doping can enhance the hardness and various mechanical properties of RuB2, mainly due to the hybridization effect between transition metals and RuB2 atoms.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Materials Science, Ceramics
Alec C. Murchie, Jeremy L. Watts, William G. Fahrenholtz, Gregory E. Hilmas
Summary: The mechanical properties of a (Hf,Mo,Nb,Ta,W,Zr)B-2 high-entropy ceramic were characterized at room temperature. The ceramic exhibited high hardness, flexural strength, and fracture toughness.
INTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY
(2022)
Article
Materials Science, Ceramics
Alec C. Murchie, Jeremy L. Watts, William G. Fahrenholtz, Gregory E. Hilmas
Summary: A nominally phase pure ZrB2 ceramic was tested for its mechanical properties at ultra-high temperatures. The material showed high flexural strength and fracture toughness, with different controlling factors below and above 1800 degrees Celsius. The use of higher purity starting materials improved the mechanical behavior compared to previous studies.
INTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY
(2021)
Article
Materials Science, Ceramics
Yongqiang Tan, Wei Liao, Zhen Teng, Xiaosong Zhou
Summary: A novel technique to lower the synthesis temperature and maintain the mechanical properties of high-entropy carbides was proposed. The introduction of carbon vacancies and reaction with boron carbide led to the formation of high-entropy boride phase, which significantly improved the mechanical properties.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Ceramics
Qingfeng Zeng, Yin Wang, Changhao Yang, Kang Guan, Jiantao Liu, Qingzhu Deng, Yong Gao
Summary: This study predicts the crystal structures, mechanical properties, and electronic structures of HfCxN1-x using evolutionary structure search and first-principles calculations. It identifies 10 thermodynamic stable phases, 8 of which are newly discovered, and investigates the relationship between mechanical properties and the nitrogen to carbon ratio. The results also reveal the fundamental reason behind the change in mechanical properties with the ratio of nitrogen to carbon.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2021)
Article
Materials Science, Ceramics
Huayue Liang, Jingjing Liu, Ji Zou, Jihang Huang, Weimin Wang, Zhengyi Fu
Summary: Reactive sintering technology is used to densify ceramics. In this work, a new solid-state route based on reactions among TiN, Al, and B was proposed to consolidate TiB2-AlN-hBN ceramics with tunable compositions. The effects of hBN and AlN amounts on the properties of ceramics were comprehensively investigated.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Ceramics
Feng Shi, Danmin Liu, Yan Wang, Linlin Liu, Weiqiang Xiao, Cuixiu Liu, Xinyu Yang, Jiuxing Zhang
Summary: The growth rate of La0.6Ce0.3Pr0.1B6-ZrB2 eutectic material affects its microstructure, mechanical properties, and thermionic emission performance. A higher growth rate leads to lower uniformity of the ZrB2 phase, resulting in increased fracture toughness of the material.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Materials Science, Multidisciplinary
M. R. Rana, S. Islam, K. Hoque, G. G. Biswas, M. E. Hossain, S. H. Naqib, M. A. Ali
Summary: This study employs density functional theory (DFT) to investigate the physical properties of MAX phase borides M2GaB (M = Sc, V, Nb, Ta) for the first time. Key properties such as lattice constants, thermodynamic stability, electronic structure, mechanical stability, hardness, anisotropy, acoustic behavior, thermal properties, and optical parameters were calculated. The study aims to determine the suitability of these compounds as thermal barrier coating materials or for high-temperature applications.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Materials Science, Multidisciplinary
Fenger Sun, Guowei Zhang, Heping Liu, Hong Xu, Yizheng Fu, Dongyang Li
Summary: First-principles calculations were performed to predict the effect of transition-element substitution on mechanical properties and electronic structures of B2-AlCu compounds. The results showed that Zn, Cd, La, and Hg are preferred to replace the Al atom, while other transition elements are preferred to replace the Cu atom. Among mechanically stable AlCu-TM compounds, resistance to axial deformation was greater than shear deformation.
RESULTS IN PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Ahmed S. S. Etman, Joseph Halim, Hans Lind, Megan Dorri, Justinas Palisaitis, Jun Lu, Lars Hultman, Per O. A. Persson, Johanna Rosen
Summary: Computationally predicted out-of-plane chemically ordered transition metal borides, Ta4CrSiB2 and Ta4VSiB2, were synthesized with chemical ordering, while Ta4MoSiB2 formed a disordered solid solution. Density functional theory calculations confirmed the stability and suggested that borides based on Cr and Mo are stiffer than those based on V and Nb.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Materials Science, Multidisciplinary
Kun Cao, Guo-Yong Shi, Tian-Tian Liu, Xin Li, Jian-Fu Li, Xiao-Li Wang, Yue-Hua Su, Chao Zhang, Hong Jiang
Summary: We investigated the crystalline structures of Ti3B4 under pressures ranging from 0 to 200 GPa using density functional theory and an evolutionary algorithm. Our calculations predicted a phase transition from the low-pressure-stable Immm phase to an orthorhombic phase (Pmmm) at 136 GPa. The electronic band structures indicate that both Immm and Pmmm phases are metallic, and the pressure-induced charge transfer drives this phase transition. The hardness values of Immm and Pmmm at ambient pressure are 41.5 and 34.9 GPa, respectively, and their hardnesses show opposite trends with increasing pressure.
Article
Materials Science, Ceramics
Lun Feng, William G. Fahrenholtz, Gregory E. Hilmas, Frederic Monteverde
Summary: Dense high-entropy (Hf,Zr,Ti,Ta,Nb)B-2 ceramics with Nb contents ranging from 0 to 20 at% were produced by a two-step spark plasma sintering process. X-ray diffraction showed a single-phase with hexagonal structure in compositions without Nb, while compositions containing Nb had two phases with slightly different lattice parameters. The addition of Nb resulted in a Nb-rich second phase, increased as Nb content increased, leading to decreased grain size and increased mechanical properties.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2021)
Article
Materials Science, Multidisciplinary
Jindou Ru, Rui Ma, Mingpan Wan, Quan Xie
Summary: This study investigates the formability, electronic structures, Debye temperatures, and mechanical properties of TiVCrTa multicomponent alloys with different crystal structures using first principles methods. The results show that these alloys exhibit good ductility and stability, and have different mechanical properties, electronic structures, and atomic bonding characteristics in different directions.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Materials Science, Ceramics
Yuki Jimba, Sosuke Kondo, Hao Yu, Haoran Wang, Yasuki Okuno, Ryuta Kasada
Summary: A new sintering process called TLPDS has been developed for high-melting-point borides, using a eutectic TiB-Ti powder as the sintering aid. This approach has successfully improved the sinterability of TiB2.
CERAMICS INTERNATIONAL
(2021)
Article
Physics, Condensed Matter
Shivani Gohri, Jaya Madan, Rahul Pandey
Summary: This study improves the efficiency of SnS-based solar cells by implementing the glancing angle deposition approach and introducing a CZTSSe layer. The findings offer valuable insights for enhancing the design of SnS-based solar cells and making them more efficient.
SOLID STATE COMMUNICATIONS
(2024)
Article
Physics, Condensed Matter
Mahboubeh Yeganeh, Davoud Vahedi Fakhrabad
Summary: The lattice thermal conductivity of CdO monolayer was investigated, and it was found to be lower than that of bulk CdO due to the lower phonon lifetime and phonon group velocity. As a result, the monolayer exhibits higher thermoelectric efficiency compared to the bulk counterpart.
SOLID STATE COMMUNICATIONS
(2024)
Article
Physics, Condensed Matter
Shivam Srivastava, Prachi Singh, Anjani K. Pandey, Chandra K. Dixit
Summary: In this research paper, a novel equation of state (EOS) based on finite strain theories is proposed for predicting the thermo elastic properties of various materials. Extensive analysis and comparison with existing models and experimental data demonstrate the validity and effectiveness of the proposed EOS in capturing the unique thermodynamic behavior of nanomaterials, bulk metallic glasses, and superconductors. This research is of great importance in the fields of materials science, nanotechnology, and condensed matter physics.
SOLID STATE COMMUNICATIONS
(2024)
Article
Physics, Condensed Matter
Subrata Das, Sanjoy Kr Mahatha, Konstantin Glazyrin, R. Ganesan, Suja Elizabeth, Tirthankar Chakraborty
Summary: In this study, we investigated the structural evolution of Tb2Ti2O7 under external pressure and temperature, and confirmed the occurrence of an isostructural phase transition beyond 10 GPa pressure. This transition leads to changes in lattice parameters and mechanical properties, which can be understood in terms of localized rearrangement of atoms.
SOLID STATE COMMUNICATIONS
(2024)
Article
Physics, Condensed Matter
Hamze Mousavi
Summary: It has been found that undoped graphene sheet has zero states at the Fermi energy level, making it difficult for Cooper pairing to occur in the superconductive state. However, T-graphene, with physical properties similar to graphene, exhibits metallic behavior and has available electron states near the Fermi level. The gap equation for the s-wave superconductive state is derived based on the attractive Hubbard model and the Bogoliubov de Gennes equation for this two-dimensional metallic system. It is found that a nonzero critical temperature, τ, exists for different levels of electron-electron interaction, ǫ. τ has higher values when the system has electronic half band-filling, but decreases when the system does not have half band-filling. However, τ vanishes when ǫ becomes small enough near the band edges.
SOLID STATE COMMUNICATIONS
(2024)