Article
Chemistry, Physical
V. T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht
Summary: This paper presents the thermodynamic modeling of the complete ternary Fe-Ni-Si system based on experimental results and literature information. Key experiments were conducted to verify the phases and phase fractions in Fe-Ni-Si alloys, and the chemical compositions were analyzed. The modeling results match well with the experimental data, especially for the Fe-rich corner of the system. The ternary database developed in this study provides valuable information for phase diagrams and thermodynamic properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Michael Musi, Helmut Clemens, Andreas Stark, Peter Staron, Petra Spoerk-Erdely
Summary: In this study, the effect of beta-stabilizing element molybdenum on the phase transitions in intermetallic gamma-TiAl based alloys is investigated. Different microstructures and phase transformations are observed in two model alloys with varying Mo content. The findings suggest that Mo significantly affects the stability and presence of the beta phase in these alloys. Additionally, long-term heat treatments reveal the phase equilibria at intermediate temperatures. The results from this work contribute to the reassessment of the quasi-binary phase diagram for Ti-44Al-(0-7)Mo (at.%).
Article
Chemistry, Physical
V. T. Witusiewicz, A. A. Bondar, U. Hecht, O. Stryzhyboroda, S. Utkin, V. Z. Kublii
Summary: This paper thermodynamically re-modelled the complete ternary B-Fe-Mo system, clarified the morphology and stability of relevant phases through experiments, and calculated selected phase equilibria and thermodynamic properties for comparison with experimental results.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Thermodynamics
Mehdi Noori, Bengt Hallstedt
Summary: In this work, the Al-Co-Fe ternary system was thermodynamically modeled using the Calphad method, and the optimized model showed good agreement with experimental measurements.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2021)
Article
Thermodynamics
M. Yazlak, H-J Christ, W. Yang, G. Hasemann, M. Krueger, B. Gorr
Summary: Thermodynamic modelling is an effective approach to accelerate the development of novel materials such as V-based alloys. In this study, the CALPHAD method was used to thermodynamically model the V-Ti-B ternary system, and the results showed a high degree of agreement with experimental observations.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2022)
Article
Thermodynamics
Jian Liu, Chenyang Zhou, Hang Wang
Summary: The Ru-X systems were re-optimized using the CALPHAD method, with reliable thermodynamic parameters obtained for the Ru-Al and Ru-Mo systems, which can serve as a basis for thermodynamic calculations of high-order systems and database establishment of Ni-based superalloys.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2021)
Article
Chemistry, Physical
Edouard Koffi Kouassi, Max Wedjers Manouan, Eulogne Zoro, David Boa, Pierre Benigni, Hmida Zamali, Jacques Rogez, Dalila Hellali
Summary: The study focuses on the thermochemical properties and phase diagrams of alkali nitrate mixtures for thermal storage systems, with a critical analysis of phases and proposing reliable phase change data for pure nitrates. Differential thermal analysis and X-ray diffraction techniques are utilized to investigate the systems, revealing eutectic reactions and polymorphic transitions. By combining experimental data and utilizing the Calphad approach, a reasonable agreement is obtained between calculated results and experimental data, optimizing thermodynamic parameters in the ternary system.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
M. Ilatovskaia, O. Fabrichnaya
Summary: Phase relations in the Al2O3-MnOx system were investigated, showing that Al2MnO4 melts by peritectic reaction at 2000 K. A new thermodynamic description of the Al-Mn-O system was derived using experimental data and thermodynamic parameters were evaluated to describe experimental data in the entire compositional range.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Yoongu Kang, Min-Kyu Paek, In-Ho Jung
Summary: This study thermodynamically assessed the Mo-C, Mo-N, and Mo-C-N systems using the Calculation of Phase Diagram (CALPHAD) method, and significantly improved the description of the phase diagrams and thermodynamic data by optimizing the model parameters.
JOURNAL OF MATERIALS RESEARCH
(2022)
Article
Chemistry, Physical
K. Santhy, K. C. Hari Kumar
Summary: Phase diagram calculation of the Fe-Ti system was achieved by coupling CALPHAD with first principle methods, utilizing a single Gibbs energy model for FeTi and incorporating magnetic properties of the Laves phase. Two sublattice and three sublattice models were used to represent the Laves phase, with the latter showing better agreement with experimental data.
Article
Materials Science, Coatings & Films
Stanislav Ovchinnikov, Mark Kalashnikov
Summary: The study investigated multi-element gradient-layered coatings to search for new compositions and structures of wear-resistant coatings, finding that oxygen saturation significantly affects the decomposition of the phase of doped titanium nitride into amorphous wear products. This suggests an abrasive-oxidative wear mechanism, with an increase in the level and heterogeneity of elastic strains and stresses in the surface layer of the friction zone.
SURFACE & COATINGS TECHNOLOGY
(2021)
Article
Materials Science, Multidisciplinary
Patrick L. J. Conway, David Golay, Lori Bassman, Michael Ferry, Kevin J. Laws
Summary: This study examines the potential of thermodynamic modeling in assessing phase stability in high entropy alloys, compares it with CALPHAD calculations, and demonstrates the value of new models in predicting and designing phase constitution in future high-performance alloys.
MATERIALS CHEMISTRY AND PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
L. Charpentier, A. Kauffmann, E. Beche, C. Escape, S. Laube, D. Schliephake, J. Esvan, B. Gorr, A. Soum-Glaude, M. Heilmaier
Summary: This study discusses how the oxidation of refractory element-based alloys affects their optical properties, specifically through changes in surface composition and roughness. The results show that the oxidation process significantly increases the spectral emissivity of the samples. The oxidized TMCA and TMCTA alloys exhibit a higher solar absorptivity compared to state-of-the-art Ni-based alloys used in solar power plants, making them promising candidates for solar thermal energy conversion applications.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Wenjie Wei, Wei Chen, Yaping Wang, Zhanmin Cao
Summary: The Al-Sb-Sn ternary system was studied using experimental measurement and thermodynamic modeling. Differential Scanning Calorimetry (DSC) was used to measure the three vertical cross-sections of Al-SnSb, Sn-AlSb, and Sb-AlSn. The thermodynamic modeling of the Al-Sb-Sn ternary system was carried out based on the Calculation of Phase Diagram (CALPHAD) method using the evaluated experimental data by FactSage, resulting in a set of thermodynamic model parameters consistent with the experimental data.
Article
Materials Science, Multidisciplinary
Maryam Akhlaghi, Carolin Koerner
Summary: The internal nitriding behavior of Mo-15 at.% Ti and Mo-5/15 at.% V alloys was compared at temperatures ranging from 700°C to 1100°C. The weight, microstructure, hardness, and nitriding products were studied as a function of temperature and time. VN and TiN nitrides were formed on the surface of Mo-V and Mo-Ti alloys, respectively. The maximum nitrided depths were around 14 μm for both alloys at 1100°C for 10 h. Mo-Ti alloy had higher hardness values compared to Mo-V at the same temperature. X-ray diffraction showed incoherent diffraction for Mo matrix and VN nitrides at 900°C, while coherent diffraction was observed for Mo and TiN. The nitride formation for V was observed at lower temperature compared to Ti in a Mo matrix. The stress relieving and coarsening behavior differed in matrices containing VN and TiN, impacting the precipitation hardening of Mo matrix. These findings suggest that replacing Ti with other nitride forming elements like V can improve the brittleness of Mo-based alloys at moderate temperatures, regardless of N concentration in the Mo matrix.
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS
(2023)
Article
Materials Science, Ceramics
M. V. Remez, Yu. M. Podrezov, A. A. Bondar, V. Witusiewicz, U. Hecht, V. M. Voblikov, N. I. Tsyganenko, Ya. I. Yevich, T. Ya. Velikanova
POWDER METALLURGY AND METAL CERAMICS
(2016)
Article
Materials Science, Multidisciplinary
V. T. Witusiewicz, A. A. Bondar, U. Hecht, V. M. Voblikov, N. I. Tsyganenko, O. S. Fomichov, M. V. Karpets, V. M. Petyukh, T. Y. Velikanova
JOURNAL OF MATERIALS SCIENCE
(2013)
Article
Chemistry, Physical
V. T. Witusiewicz, A. A. Bondar, U. Hecht, A. Theofilatos, N. Tsyganenko, S. Utkin, I. B. Tikhonova
JOURNAL OF ALLOYS AND COMPOUNDS
(2019)
Article
Materials Science, Ceramics
O. O. Bilous, A. A. Bondar, A. V. Kotko, Yu. M. Podrezov, S. O. Firstov, N. I. Tsyganenko
POWDER METALLURGY AND METAL CERAMICS
(2020)
Article
Chemistry, Physical
AA Bondar, TY Velikanova, DB Borysov, L Artyukh, OO Bilous, MP Burka, OS Fomichov, NI Tsyganenko, SO Firstov
JOURNAL OF ALLOYS AND COMPOUNDS
(2005)
Article
Nanoscience & Nanotechnology
OO Bilous, LV Artyukh, AA Bondar, TY Velikanova, MP Burka, MP Brodnikovskyi, OS Fomichov, NI Tsyganenko, SO Firstov
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2005)
Article
Materials Science, Multidisciplinary
OI Dovbenko, AA Bondar, TY Velikanova, OO Bilous, MP Burka, PS Martseniuk, TO Shapoval, NI Tsyganenko
Article
Chemistry, Physical
J. Zamora, T. Bautista, N. S. Portillo-Velez, A. Reyes-Montero, H. Pfeiffer, F. Sanchez-Ochoa, H. A. Lara-Garcia
Summary: Experimental and DFT studies were conducted on the structural, magnetic, and optical properties of RFeO3 perovskites. The perovskites exhibited an orthorhombic crystal structure and weak ferromagnetic behavior. They were confirmed to be semiconductors with a bandgap of approximately 2.1 eV.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xianxiang Lv, Jing Jin, Weiguang Yang
Summary: By depositing TiN and TiO2 surface layers on AlSi films, the electrochemical performance of silicon-based anodes can be significantly improved, suppressing volume expansion and promoting the formation of a stable SEI layer.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Sharafat Ali, Haider Ali, Syedul Hasnain Bakhtiar, Sajjad Ali, Muhammad Zahid, Ahmed Ismail, Pir Muhammad Ismail, Amir Zada, Imran Khan, Huahai Shen, Rizwan Ullah, Habib Khan, Mohamed Bououdina, Xiaoqiang Wu, Fazal Raziq, Liang Qiao
Summary: The construction and optimization of redox-heterojunctions using a bifunctional phosphate as an electron-bridge demonstrated significant improvements in photo catalytic activity, including enhanced dispersion, reduced interfacial migration resistance, and increased abundance of active-sites.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ren-Ni Luan, Na Xu, Chao-Ran Li, Zhi-Jie Zhang, Yu-Sheng Zhang, Jun Nan, Shu-Tao Wang, Yong-Ming Chai, Bin Dong
Summary: Extensive research has revealed that oxygen evolution reaction (OER) in alkaline conditions involves dynamic surface restructuring. The development and design of sulfide/oxide pre-catalysts can reasonably adjust the composition and structure after surface reconstruction, which is crucial for OER. This study utilized a simple two-step hydrothermal method to achieve in situ S leaching and doping, inducing the composition change and structure reconstruction of CoFe oxides. The transformed FeOOH and CoOOH exhibited excellent OER activity and could be easily mass-produced using low-cost iron based materials and simple methods.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jun'an Lai, Daofu Wu, Peng He, Kang An, Yijia Wang, Peng Feng, WeiWei Chen, Zixian Wang, Linfeng Guo, Xiaosheng Tang
Summary: Zero-dimensional organic-inorganic metal halides (OMHs) are gaining attention in the fabrication of light-emitting diodes due to their broad emission band and high photoluminescence quantum yield. This work synthesized a zero-dimensional organic tetraphenylphosphonium bismuth chloride (TBC) that showed efficient blue light emission, with the emission mechanism attributed to the transition of Bi3+ ions. White light-emitting diodes (WLEDs) were fabricated using TBC, along with green-emitting and red-emitting single crystals, achieving single-component white emissions. These findings demonstrate the different emission mechanism of ns2 ions-based OMHs and highlight the potential of bismuth-based OMHs in WLEDs applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xuewei Liang, Yunhai Su, Taisen Yang, Zhiyong Dai, Yingdi Wang, Xingping Yong
Summary: The revolutionary design concept of high-entropy alloys has brought new opportunities and challenges to the development of advanced metal materials. In this work, AlCrCuFe2NiTix high-entropy flux cored wires were prepared by combining the design idea of a high-entropy alloy with the characteristics of flux cored wire. AlCr-CuFe2NiTix high-entropy surfacing alloys were prepared using gas metal arc welding technology. The wear properties of the alloys were analyzed, and the phase composition, microstructure, strengthening mechanism, and wear mechanism were discussed. The results show that the alloys exhibit a dendritic microstructure with BCC/B2 + FCC phases. Increasing Ti content leads to the precipitation of Laves phase. The alloys show improved microhardness and wear resistance due to the precipitation of coherent B2 and Laves phases. However, excessive Ti addition results in the increase of Laves phase and reduced wear resistance of the alloys.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
M. Vadivel, M. Senthil Pandian, P. Ramasamy, Qiang Jing, Bo Liu
Summary: This work presents the enhanced photocatalytic and electrochemical performance of g-C3N4 assisted PAA on CoFe2O4 ternary nanocomposites. The incorporation of PAA and g-C3N4 improves the separation efficiency of photogenerated charge carriers, resulting in superior photocatalytic degradation and high specific capacitance values.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Vibhu T. Sivanandan, Ramany Revathy, Arun S. Prasad
Summary: In this study, pure and doped cobalt ferrite nanoparticles were prepared using the sol-gel auto-combustion method with the aid of lemon juice as eco-fuel. The crystal structure, lattice parameter, crystallite size, microstrain, optical parameters, and room temperature magnetic properties of the samples were analyzed. The effect of doping on the magnetic properties was also investigated.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qing Guo, Bowen Zhang, Benzhe Sun, Yang Qi
Summary: This study prepared ZnO films with various nonpolar preferred orientations using conventional chemical bath deposition method and characterized their growth process and mechanism. It was found that the type and concentration of nitrate could control the preferred orientation and surface roughness of ZnO films. Additionally, ZnO films with different preferred orientations exhibited different optical properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Chong Zhang, Yan Liu, Zhaoyan Wang, Hang Yang
Summary: In this study, six bimetallic FeCo particles were synthesized via the hydrothermal method at different Fe:Co ratios. The Fe:Co ratio not only modulates the composition of the particles but also influences their structure and magnetic properties. The FeCo alloys showed a transformation from an Fe-based structure to a Co-based structure with increasing Co content. The Fe:Co ratio of 1:1 and 3:1 resulted in particles with the highest and lowest saturation magnetization, respectively.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jianning Zhang, Jing Li, Yiren Wang, Xiaodong Mao, Yong Jiang
Summary: We conducted a study on the formation of ultra-fine Y-Ti-Ta-O nano-oxides in Ta+B micro-alloyed 13CrWTi-ODS alloys using electron microscopy and first-principles calculations. The Y-Ti-Ta-O nano-oxides were found to be mainly Y2(Ti,Ta)2O7, with an average size of 7 nm and a number density of 6.8 x 1023 m-3. Excess boron was found to enhance the adhesion of some low-sigma grain boundaries but weaken the Fe/Y2Ti2O7 interface, while excess tantalum enhanced the Fe/Y2Ti2O7 interface but caused serious degradation of grain boundaries.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Yirong Fang, Pei Cheng, Hang Yuan, Hao Zhao, Lishu Zhang
Summary: A new composite system of nitrogen-doped reduced graphene oxide and black phosphorus quantum dots has been developed for tumor therapy, showing improved electrochemical properties and stability. The system generates hydrogen peroxide and hydroxyl radical to effectively kill tumor cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xiufang Qin, Yuanli Ma, Hui Zhang, Ting Zhang, Fang Wang, Xiaohong Xu
Summary: The structure and magnetism of cobalt ferrites after Mn2+-Tb3+ co-doping were studied. Co-doped samples exhibited cubic spinel structure and spherical shape of ferrite nanoparticles. The redistribution of Co2+ and Fe3+ ions between octahedral and tetrahedral sites was observed due to Mn2+-Tb3+ co-doping. The coercivity and magnetization saturation of co-doped samples were significantly improved, leading to a maximum energy product that is 190% higher than that of the un-doped sample.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ho Yeon Lee, Wonjong Yu, Yoon Ho Lee
Summary: Recently, there has been an increasing interest in developing ultra-fine nanostructured electrodes with extensive reaction areas to enhance the performance and low-temperature operation of solid oxide fuel cells. The use of a refined approach involving co-sputtering metal alloys and oxide targets has demonstrated the feasibility of nano-columnar structures in perovskite-based electrodes, expanding the temperature range of thin film electrodes. This study systematically examines the effects of chamber pressure control in the co-sputtering process and identifies the intricate relationship between sputtering pressure and film structure. By fine-tuning the columnar growth in the electrode, significant improvements in performance and thermo-mechanical properties were achieved, resulting in high-performance all-sputtered solid oxide fuel cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qianyun Bai, Xiaoxiao Yan, Da Liu, Kang Xiang, Xin Tu, Yanhui Guo, Renbing Wu
Summary: This study proposes a simple method to develop a non-precious transition metal-based electrocatalyst with high catalytic activity and robustness for the hydrogen evolution reaction. The as-synthesized electrode exhibits a low overpotential and high current density, indicating its potential in energy conversion.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)