Article
Materials Science, Multidisciplinary
Lin Wang, Zhipeng Long, Long Hou, Song Yan, Baode Sun, Xi Li
Summary: The effects of a high magnetic field on the evolution of the single-phase interface and the liquid-solid interface energy in Al-Cu alloy were investigated experimentally. It was found that the application of the magnetic field significantly promoted the migration of liquid droplets, accelerating the formation of the single-phase interface. The increase and decrease of the solid-liquid interface energy with the increase of the magnetic field were well explained based on the formation and interaction of the magnetic dipole at the solid-liquid interface. The magnetic-field-induced interface energy also affected the nucleation undercooling of different Cu alloys.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Chunyan Chen, Shunuo Bian, Yaohong Jiang, Lihua Yu, Junhua Xu
Summary: Transition metal nitride films have high hardness and low wear rate. The bonding strength between the film and the substrate is crucial. This study investigates the use of transition layer materials to enhance the bonding strength, and examines the interface bonding energies and atomic properties. The results suggest that adding a double transition layer material Ti/TiN can optimize the bonding force between Fe substrate and TaN thin films.
Article
Materials Science, Multidisciplinary
Tianxing Yang, Xiaohong Chen, Wei Li, Xiujun Han, Ping Liu
Summary: First principles calculations were used to investigate the interfacial properties of Al/VB2 interfaces. It was found that V-terminated Al/VB2 interfaces exhibit good interfacial stability and tensile strength, and can serve as effective heterogeneous nucleation substrates for alpha-Al.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Mingjun Peng, Renfu Wang, Longke Bao, Yonghua Duan
Summary: The study systematically explored the atomic structure, adhesion work, interfacial energy, and fracture mechanism of the semi-coherent Al(111)/Al3BC(0001) interface using first-principles calculations. It was found that the B-terminated Al(111)/Al3BC(0001) interface in HCP2 configuration exhibits the highest adhesion work and lowest interfacial energy, indicating its stability. The formation of strong Al-B covalent bonds at the interface ultimately leads to mechanical failure in the Al slab at the B-HCP2 interface.
APPLIED SURFACE SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Wenlong Zhang, Daihong Xiao, Dongyan Ding
Summary: The structural, adhesive and electronic properties of a SiO2/Al interface were investigated via first-principles calculations. The most stable SiO2 (0001) surface was terminated with two oxygen atoms, and the most stable SiO2/Al interface was at the hollow site with the smallest interfacial energy and largest work of adhesion. Electronic structure investigations showed polar covalent bonding at the SiO2/Al interface, attributed to the interaction between s and p orbitals of O atoms and p orbitals of Al atoms. The study provides valuable data for the design and multi-scale simulations of oxidized-SiC reinforced aluminum matrix composites.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Chemistry, Physical
Wanwu Ding, Lumin Gou, Liwen Hu, Haixia Zhang, Wenjun Zhao, Jinyuan Ma, Jisen Qiao, Xiaochun Li
Summary: This paper investigates the effects of a novel Al-3Ti-4.35La master alloy on the morphology of eutectic Si and mechanical properties of hypoeutectic Al-7Si alloy, and reveals its modification mechanism. The results show that the addition of Al-3Ti-4.35La master alloy can transform the eutectic Si phase into a fine fiber and partial granular structure, significantly enhancing the ultimate tensile strength and elongation of the alloy.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Multidisciplinary
Xuanxuan Lei, Yukun Li, Xiaodong Du
Summary: The study investigates the production of Al-Si alloy ingots by diluting an Al-Si master alloy with pure Al and observes the formation of a micron-sized AlFeSi spherical microstructure in the diluted alloy ingot, which consists of polyhedral Al9Fe2Si2 particles inside and clusters of fine Si particles outside.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Ibrahem Maher, Q. M. Mehran
Summary: This study introduced a method of predicting the adhesion strength of CrAlN coating on LM28 using fuzzy logic technique. A fuzzy logic model was applied to predict the adhesion strength based on trained data achieved from micro scratch test, showing a maximum prediction error of 5.2% and an average prediction error of 3.5%. The prediction resulted in a significant enhancement of surface hardness value from 0.9 GPa to 4.5 GPa.
METALS AND MATERIALS INTERNATIONAL
(2022)
Article
Chemistry, Physical
Qin Wang, Peikang Bai, Zhanyong Zhao
Summary: The study used advanced first-principles research methods to identify the heterogeneous nucleation potential of gamma-Fe grains on TiB2 particles in TiB2/316L stainless steel composites, and determined that the B-terminated-top 2 site interface (B-top 2) was the most stable. The research revealed that the formation of strong Fe-B covalent bonds near the B-top 2 interface increased interface stability and enhanced the performance of the composite material.
Article
Materials Science, Multidisciplinary
Chuanyong Li, Xingguo Zhang, Zhengwei Guo, Lu Li, Quan Shan, Zulai Li
Summary: This article investigates the effect of cooling rate on the distribution of primary phase Si and TiB2 particles in hypereutectic Al-Si alloy. Using a wedge-shaped mold, the effect of cooling rate on the multi-phase structure of TiB2 particles in Al-20Si is studied. The sizes, shapes, and distribution of primary phase Si and TiB2 particles inside primary Si are observed through SEM. The effect of TiB2 particles on cracks in primary phase Si is studied using nanoindentation technology, and the interface relationship between primary Si and TiB2 is studied using TEM. Finally, based on the experimental results, the trapping mechanism of primary Si for TiB2 particles is discussed. The results indicate that the faster the cooling rate, the finer and more uniform the size distribution of the primary Si phase in the structure. TiB2 mostly exists as individual particles and is engulfed by the primary Si phase due to faster solid-liquid interface pushing rate during solidification.
Article
Materials Science, Multidisciplinary
H. L. Peng, Z. Q. Luo, Z. F. Wang, X. Chen, L. Y. Shan
Summary: In this study, it was discovered that nanocrystals (NiTi) can be formed in Ni-based amorphous alloys at a specific temperature, which resulted in an optimized microstructure and significantly improved mechanical properties of the alloy. The yield strength, ultimate tensile strength, elongation, and fracture strain at room temperature were all increased after the manipulation. The mechanisms of the enhancement in mechanical properties were also discussed in detail.
Article
Materials Science, Multidisciplinary
Zhangxi Wu, Yongzhong Zhan, Lu Xiong, Zihao Li
Summary: The study found that the bonding strength and interface stability of the Mo-termination interface are better than those of the C-termination interface, with the Mo-fcc-Al interface being the best and the C-hcp-Al interface being the worst. The research on electronic structure shows that the interaction between interface atoms forms a bond with metallic characteristics, and Mo doping into the Al matrix will weaken the bonding of the Al/Mo2C interface.
PHILOSOPHICAL MAGAZINE
(2021)
Article
Chemistry, Physical
Min Zheng, Hua Zhang, Yanfen Gao, Yixuan Zhao, Caiwang Tan, Xiaoguo Song, Jin Yang
Summary: A porous FeCoNiCr high entropy alloy (HEA) coating was prepared on a steel substrate via vacuum sintering. The wetting behavior of liquid Al-12Si alloy over the coated and uncoated steel substrate was comparatively analyzed. The results showed that the porous coating enhanced the capillary force and facilitated the infiltration and spread of the liquid alloy, resulting in improved wettability and suppressed interfacial intermetallic compound (IMC) formation.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Metallurgy & Metallurgical Engineering
Wang Furong, Zhang Yongmei, Bai Guoning, Guo Qingwei, Zhao Yuhong
Summary: Mg-Sn alloy is a potential lightweight automobile material with high temperature-creep resistance. Adding Sn to Mg reduces overall cost, and the formation of Mg2Sn phase improves precipitation hardening. Al-doping significantly enhances the age hardening effect of Mg-Sn alloy due to segregation at the Mg matrix and Mg2Sn phase interface. This study investigates different orientations of Al-doped Mg and Mg2Sn phase to determine stable doping positions through calculations and analyzes the effects of Al doping on the electronic structure of the Mg/Mg2Sn interface. The results indicate that certain Al-doping positions strengthen the stability of the interface, and Al-Sn bonding dominates at the interface.
ACTA METALLURGICA SINICA
(2023)
Article
Polymer Science
Vladimir S. Egorkin, Dmitry V. Mashtalyar, Andrey S. Gnedenkov, Valeriia S. Filonina, Igor E. Vyaliy, Konstantine V. Nadaraia, Igor M. Imshinetskiy, Evgeny A. Belov, Nikolaj V. Izotov, Sergey L. Sinebryukhov, Sergey V. Gnedenkov
Summary: This paper evaluates the anti-icing properties of samples treated with PEO followed by application of SPTFE and PVDF. The combined PVDF-SPTFE coating shows superior electrochemical characteristics, hydrophobicity, and icephobic properties. The decrease in ice adhesion strength after treatment with PVDF-SPTFE is significant, making it a promising solution for anti-icing applications.
Article
Physics, Condensed Matter
A. Jbeli, N. Zeiri, N. Yahyaoui, P. Baser, M. Said
Summary: The electronic and optical properties of CdSe/ZnSe semiconductor core/shell quantum dots with hydrogenic donor impurity were investigated theoretically. The perturbation and variational methods were used to calculate the binding energy, photoionization cross-section, polarizability, and diamagnetic susceptibility of the excited impurity under various conditions. A significant stark shift in the binding energy was observed under the influence of an external electric field.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Rahat Batool, Tariq Mahmood, Sajid Mahmood, Abdul Aziz Bhatti
Summary: This study investigates the effects of alkali metal doping (Na, K, Cs) on MAPbI3 through compositional engineering. The results show that doping Na, K, and Cs can improve the phase stability, thermodynamic stability, and optical absorption of MAPbI3.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
N. A. N. M. Nor, M. A. H. Razali, W. H. A. W. K. Annuar, N. N. Alam, F. N. Sazman, N. H. M. Zaki, A. S. Kamisan, A. I. Kamisan, M. H. Samat, A. M. M. Ali, O. H. Hassan, B. U. Haq, M. Z. A. Yahya, M. F. M. Taib
Summary: This study investigates the potential of quaternary chalcogenides semiconductors as thin film solar cell absorbers using density functional theory (DFT) and density functional theory plus Hubbard U (DFT + U) approach. The results show that by applying Hubbard U terms, the electronic band gaps can be accurately predicted, providing valuable insights for finding cost-effective new thin film solar cell materials.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Ashwani Kumar, Anuj Kumar, Mohaseen S. Tamboli, Mohd Ubaidullah, J. Jayarubi, S. K. Tripathi
Summary: In this study, lead-based perovskite solar cells are replaced by bismuth-based perovskite cells to overcome their instability and toxicity. CsBi3I10 perovskite films are fabricated using a modified drop-casting process, and the effects of post-annealing temperature on the morphological, structural, and optical properties are investigated. The photovoltaic performance of the cells without a hole transport layer is also quantitatively evaluated.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Yang Gao, Shu-Ming Chen, Shuo Cao, Shang-Zhou Zhang, Philippe Djemia, Qing-Miao Hu
Summary: This study investigates the phase stability, elastic modulus, and hardness of ternary nitride Ti1-xAlxN. It is found that the hardness increases with the Al content x. The cubic B1 structure is more stable for x < about 0.75, while the hexagonal structure (B4) is more stable for x > about 0.75. The composition dependent hardness and phase decomposition contribute to the convex shaped hardness curve of Ti1-xAlxN.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Fengqi Wang, Qinyan Ye, Xulin He, Kun Luo, Xiaolong Ran, Xingping Zheng, Cheng Liao, Ru Li
Summary: This report uses rigorous calculations based on density functional theory to study the piezoelectric and elastic properties of wurtzite aluminum nitride (w-AlN) with single- and co-alloying by Hf (or Zr) and Sc. The research finds that the (HfSc)0.375Al0.625N and (ZrSc)0.375Al0.625N with stable wurtzite phase have a large piezoelectric coefficient d33 of 49.18 pC/N and 47.00 pC/N, respectively. However, the piezoelectric voltage constant g33 and electromechanical coupling constant k233 of HfAlN, ZrAlN, HfScAlN, and ZrScAlN are smaller than that of ScAlN, which is attributed to the large dielectric constant epsilon 33 of Hf (or Zr) alloying samples. Furthermore, the calculations of internal parameter u and bond angle alpha elucidate the brittle-to-ductile transformation in alloying w-AlN crystal structure. Electronic structure calculations show that the bandgap decreases almost linearly with the increase of alloying concentration, and the Hf (or Zr) alloying compounds become n-type semiconductors due to the existing high-charge states.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
S. R. Athul, K. Arun, S. Swathi, U. D. Remya, Andrea Dzubinska, Marian Reiffers, Nagalakshmi Ramamoorthi
Summary: The magnetic and magnetocaloric characteristics of Ho6FeSb2 have been studied. The compound exhibits two second-order ferromagnetic transitions, enabling hysteresis-free magnetocaloric effect across a wide temperature range. The alloy has high relative cooling power and magnetoresistance, making it suitable for hysteresis-free magnetocaloric applications.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Reena Sharma, Neelam Hooda, Ashima Hooda, Satish Khasa
Summary: A polycrystalline double perovskite La2CoMnO6 sample was prepared and its structural, dielectric and magnetic properties were investigated. The sample exhibited complex structures and magnetic behavior, and showed good conductivity and dielectric performance. Its multi-domain magnetic structure suggests its suitability for memory device applications.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Shubha Dubey, Jisha A. Abraham, Kumud Dubey, Vineet Sahu, Anchit Modi, G. Pagare, N. K. Gaur
Summary: This study investigates the optoelectronic, thermodynamic, thermoelectric, and mechanical stability properties of RhTiP Half Heusler semiconductors. The results show that RhTiP is a non-magnetic material with confirmed mechanical stability. It is found to be an indirect-bandgap semiconductor with a good Seebeck coefficient. This study suggests that RhTiP has promising applications in the thermoelectric and optoelectronic fields.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Xun Xie, Jiong-Ju Hao, Hong-Wei Yang
Summary: This work presents a multilayer film structure that uses optical resonance to prepare highly efficient and saturated red, green, and blue transmittance colors. Numerical simulations and analysis show that the structure can produce R, G, and B colors with a purity comparable to standard RGB colors, while maintaining efficient transmission efficiency and obtaining a rich variety of structural colors. Additionally, a metallic interlayer is introduced to selectively suppress resonances in the short-wavelength region, improving the purity of the red color. The study also investigates the effect of the incidence angle on color purity and transmission efficiency.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Yueqiang Zhao
Summary: Solubility property is of great interest in chemical, physical, pharmaceutical, material, and environmental sciences. Understanding the intrinsic reason behind solubility behavior is a fascinating task. The theoretical relation between binary mutual solubility and liquid-liquid interfacial tension has been derived, where the partitioning of solute molecules between two coexisting liquid phases is determined by the transfer free energy per unit segment for a chain-like solute molecule expressed in terms of solute-solvent interfacial tension. This general theory of solubility is in good agreement with experimental results for binary mutual solubility and molar transfer free energy of solute molecules.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Osama K. M. Bashiar, R. E. Kroon, H. C. Swart, R. A. Harris
Summary: ZnO thin films with near-infrared emission were successfully fabricated using pulsed laser deposition under vacuum conditions, without the need for additional gases or implantation methods. The NIR emission was hypothesized to be caused by defects in the ZnO film due to high energy particle impacts on the sample surface.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
O. Stognei, A. Berezutskii, I. Anisimov, A. Deryabin
Summary: The influence of ZrOn matrix stoichiometry on the electrical and magnetoresistive properties of Fe-Zr-O nanocomposites has been studied. It was found that the magnetoresistive effect is not observed in composites with oxygen lack, while composites with oxygen excess show magnetoresistive effect and increased resistivity. Magnetoresistivity in composites with oxygen lack only appears after heat treatment. These results can be explained by the difference in the density of localized states in the oxide matrix of the composites and the ratio between two types of conductivity.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Mehmet Bayirli, Aykut Ilgaz, Orhan Zeybek
Summary: The present study aims to understand the relationship between impedance characteristics and fractal behaviors. By producing neat and carbon nanotube doped composite specimens, the researchers investigated the electrical properties and surface heteromorphology using Nyquist plots and fractal analysis.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
M. I. Khan, Saddam Hussain, Muhamad Saleem, Fatimah Mohammed Alzahrani, Muhammad Siddique, M. S. Hassan, Allah Ditta Khalid, Munawar Iqbal
Summary: The sol-gel method was used to deposit Ti-doped MAPbBr3 films on FTO-glass substrates with different doping ratios (0%, 4%, and 6%). XRD analysis confirmed the cubic structure of all films, and the 4% Ti-doped film exhibited a large grain size, low band gap energy, and high refractive index. Solar cells fabricated using the 4% Ti-doped MAPbBr3 film showed improved performance in terms of current density, open circuit voltage, fill factor, and efficiency.
PHYSICA B-CONDENSED MATTER
(2024)