Article
Thermodynamics
Jian Wang, Zhang Zhang, Shu Li, Lingzhong Meng, Zhanmin Cao, Wei-feng Rao
Summary: In this study, the isothermal section in the Mg-Cu rich region of Mg-Cu-Ca ternary system at 300 degrees C was investigated, leading to the observation of two ternary compounds with their solid solubility limits and ranges determined. Thermodynamic modeling of the system was carried out using the CALPHAD method to construct a self-consistent thermodynamic database.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2021)
Article
Nanoscience & Nanotechnology
Ruoqi Li, Naoki Takata, Asuka Suzuki, Makoto Kobashi
Summary: A modified heat-resistant Al-Mg-Zn-Cu-Ni quinary alloy with superior high-temperature strength and creep rupture life was designed. The addition of Cu and Ni elements extended the creep rupture life significantly.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Crystallography
Mohammad Aljarrah, Jasim Alnahas, Mohammed Alhartomi
Summary: Magnesium alloys are considered strong candidates for various applications in automobile and aerospace industries due to their low density and specific strength. Micro-alloying magnesium with zinc, yttrium, and cerium can enhance mechanical properties through grain refinement and precipitation hardening. The thermodynamic modeling and mechanical property comparison between commercial magnesium alloys and magnesium-zinc-{yttrium and cerium} have important implications for the development of magnesium alloys.
Article
Chemistry, Inorganic & Nuclear
Sumanta Mukherjee, Smruti Dash
Summary: NaCeF4(s) is the single ternary compound in NaF-CeF3 system, prepared using solid state route. Its characterization, purity, and thermodynamic properties were investigated through various techniques and experimental measurements. Chemical potential diagram of Na-Ce-F-O system and ternary phase diagram of Na-Ce-F-2 system were calculated to study the stability domain and coexisting phases in reactor operating condition.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Lubomira Drozdova, Bedrich Smetana, Mario Machu, Vlastimil Novak, Jirina Vontorova, Simona Zla, Monika Kawulokova, Lenka Rehackova, Svetlana Sorokina
Summary: Three model alloys based on Fe-C-Ni were studied, and the experimental results show that increasing nickel content leads to a decrease in liquidus temperature and coefficient of thermal expansion, but an increase in density and heat of fusion. The influence of nickel on solidus temperature, heat capacity, enthalpy change, and heat of fusion obtained from enthalpy change was observed to be ambiguous.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Thermodynamics
Huaqing Zhang, Yong Du, Biao Hu, Meifang Tang, Han Li, Xiaodai Yue, Jiarong Li
Summary: In this study, the Al-Co-W, Al-Ni-Ta, and Co-Ni-W ternary systems were optimized based on reliable experimental data using the CALPHAD method. A thermodynamic description was established, which serves as the foundation for developing thermodynamic databases and material design for Ni-based alloys. The calculated results were found to be in good agreement with measured phase equilibrium data, indicating that the present thermodynamic description satisfactorily accounts for most experimental information.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2023)
Article
Thermodynamics
H. Bo, D. D. Lu, R. Cheng, L. M. Wang
Summary: The Ti-Cu-B ternary system was systematically studied through experimentation and thermodynamic assessment, establishing an isothermal section at 1073K and identifying primary solidification phases through micrographs. A set of self-consistent thermodynamic parameters was obtained based on experimental data.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2022)
Article
Thermodynamics
Bo Jin, Xingxu Lu, Shuhong Liu, Kai Xu, Yong Du, Shuyan Zhang, Mingqiang Chu
Summary: A critical thermodynamic re-assessment of the ternary Cu-Ni-Ti system was conducted using the CALPHAD approach, leading to the derivation of a new set of self-consistent thermodynamic parameters. New sublattice models were proposed for specific phases, enhancing the description of phase compositions. Predictions of solid-state invariant reactions were made, and the liquid miscibility gap on the Cu-Ni side was eliminated in the calculated results. Comparisons with experimental data showed satisfactory agreement with the present modeling.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2021)
Article
Thermodynamics
Jian Wang, Zhang Zhang, In-Ho Jung, Liyuan Sheng
Summary: In this study, the isothermal sections of the Mg-Sn-Sr ternary system at high Mg content were determined using SEM/EDS, confirming the existence of the MgSnSr ternary compound and discovering two new compounds. Thermodynamic optimization was conducted on the Sn-Sr binary and Mg-Sn-Sr ternary systems with the CALPHAD technique.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2021)
Article
Chemistry, Applied
Denis P. Pishchur, Nikolay B. Kompankov, Svetlana G. Kozlova
Summary: This paper analyzes the temperature behavior of the heat capacity of isostructural compounds M-2(bdc)(2)(dabco) (M = Co, Ni, Cu, Zn). It is found that all the samples undergo phase transitions at 12K and 60K. The phase transition observed in the Zn complex at-130K is not manifested in M-2(bdc)(2)(dabco) (M = Co, Ni, Cu) due to the spin-phonon interaction between paramagnetic M2+ ions and the mobility of frameworks of these compounds.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Sheng-Xiang Wu, Li Wang, Hui-Ping Yuan, Qun Luo, Qian Li, Kuo-Chih Chou
Summary: This study experimentally investigated the phase equilibrium of the La-Y-Ni ternary system in the Ni-rich corner and assessed its thermodynamic properties using calculation methods. The results of this study are of great significance for the design of La-Y-Ni hydrogen storage alloys.
Article
Thermodynamics
Lingzhong Meng, Chen Ji, Jian Wang, Wei-Feng Rao
Summary: The phase equilibria in the Mg-rich region of the Mg-Nd-Sr ternary system at 300 and 350 degrees C were determined using equilibrated-sample method. Four three-phase equilibria and four two-phase equilibria were experimentally determined at both temperature sections. The thermodynamic modeling of Mg-Nd-Sr ternary system was carried out using CALPHAD method based on the experimental results. The obtained thermodynamic database will support the development of Mg-based biodegradable implants.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2023)
Article
Chemistry, Physical
Dandan Huang, Rumo Han, Yao Wang, Tianfan Ye
Summary: The Cu-Te binary system, particularly the Cu2Te superionic conductor, has attracted significant interest in thermoelectric applications. Experimental and thermodynamic modeling techniques were used to investigate phase equilibria, with 16 crucial alloys analyzed to confirm phase relations including polymorphic transitions in Cu2Te, Cu4Te3 and CuTe. A thermodynamic optimization was conducted, resulting in a set of self-consistent thermodynamic parameters that align well with experimental data.
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
Qian Zhang, Hongcan Chen, Qun Luo, Yuan Yuan, Huiqun Liu, Qian Li
Summary: This study investigated the phase equilibrium relationship in the Ti-rich corner of the Ti-Cu-Ni-Zr system using the CALPHAD method and obtained critical thermodynamic descriptions of the phases. The relationship between the composition and melting point of the solder was clarified, and the influence of Cu, Ni, and Zr on the phase and structure of brazing solders was analyzed. By using a Ti-60Zr-10Cu-14Ni amorphous solder, the harmful phase formation was successfully avoided and a high shear strength was achieved in the brazed joint of the SP700 titanium alloy.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Engineering, Industrial
Soumya Sridar, Michael A. Klecka, Wei Xiong
Summary: In this study, bimetallic structures of Inconel 740H superalloy and P91 steel were processed using wire-arc additive manufacturing (WAAM), resulting in the observation of a large gradient zone and intergranular cracks. Through non-equilibrium solidification simulations, it was determined that the reasons for crack formation in the gradient zone were the sudden change in the volumetric coefficient of thermal expansion and the development of local strains from the thermal residual stresses. Integration of experiments and simulation provided valuable insights into the processability of dissimilar alloy manufacturing using the WAAM technique.
JOURNAL OF MATERIALS PROCESSING TECHNOLOGY
(2022)
Article
Nanoscience & Nanotechnology
Chenliang Chu, Liangyan Hao, Weiping Chen, Wei Xiong, Jiacheng Niu, Zhiqiang Fu
Summary: The phase transformation, microstructure, and mechanical behavior of a non-equiatomic Ti10Fe30Co30Ni30 medium entropy alloy were systematically studied. The study found that the alloy's composition and microstructure changed under different states, which influenced its mechanical properties.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Materials Science, Multidisciplinary
Soumya Sridar, Noah Sargent, Xin Wang, Michael A. Klecka, Wei Xiong
Summary: Solidification cracking susceptibility of dissimilar alloys was investigated using an ICME approach. The enrichment of Nb and Cu in the alloy mixture resulted in intergranular solidification cracks, with the top region showing the highest susceptibility to cracking.
Article
Thermodynamics
Soumya Sridar, Liangyan Hao, Wei Xiong
Summary: Molten salt electrolysis is used to recover actinides from spent nuclear fuels, using a molten LiCl-KCl electrolyte. This study employed the CALPHAD approach to thermodynamically model the KCl-PrCl3 and KCl-LiCl-PrCl3 systems for the first time. Experimental data and thermodynamic functions were utilized for the assessment of these systems, and good agreement was observed between the experimental and calculated results. This work contributes to determining the solubility limit of PrCl3 in molten LiCl-KCl electrolytes and improving the efficiency of the pyrochemical process.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2023)
Article
Chemistry, Physical
Chenshuang Wei, Sai Tang, Yi Kong, Xiong Shuai, Hong Mao, Yong Du
Summary: Studying the deformation behaviors of microstructures is crucial for understanding the precipitation-strengthening mechanism in alloys. This study used the phase-field crystal method to investigate the interactions between precipitates, grain boundaries, and dislocations during deformation processes. The results revealed that the pinning effect of precipitates becomes stronger with increasing lattice misfit at slow deformation rates. Different deformation behaviors were observed depending on the lattice misfit and strain rate. The findings provide insights into how microstructures in precipitation-strengthening alloys deform collaboratively or independently.
Article
Chemistry, Physical
Shiyi Wen, Jing Tan, Jianzhan Long, Zhuopeng Tan, Lei Yin, Yuling Liu, Yong Du, George Kaptay
Summary: This study investigates the thermal conductivity of two-phase WC-Co-Ni cemented carbides and its dependence on phase composition, temperature, and WC grain size. Through a combination of experiments and models, a reliable model for calculating the thermal conductivity of two-phase WC-Co-Ni is established and verified using experimental data. Furthermore, this model is used to predict the thermal conductivity of two-phase WC-Co-Ni under different phase-fractions, temperatures, and WC grain sizes, which can aid in designing cemented carbides with desired thermal conductivities.
Article
Chemistry, Physical
Fengting Jing, Yuling Liu, Yong Du, Chenying Shi, Biao Hu, Xiancong He
Summary: The solidified and equilibrium microstructure and phase transition temperatures in the Cu-Zr-Y ternary system were studied. Experimental results were in good agreement with the thermodynamic calculation method. This study not only established a thermodynamic description of the Cu-Zr-Y system, but also contributed to the design of a copper alloy with the required microstructure.
Article
Materials Science, Multidisciplinary
Nicholas Ury, Raymond Neuberger, Noah Sargent, Wei Xiong, Raymundo Arroyave, Richard Otis
Summary: Kawin is an open-source implementation of the Kampmann-Wagner Numerical model of precipitation, capable of simulating the precipitation behavior of multiphase, multicomponent systems under complex heat treatments. It incorporates innovative features to enhance model stability, flexibility, and usability.
Article
Nanoscience & Nanotechnology
Jillian Stinehart, Luis Fernando Ladinos Pizano, Wei Xiong, Le Zhou
Summary: Aluminum-Cerium (Al-Ce) based alloys have shown promise as cost-efficient high temperature creep-resistant aluminum alloy. This study investigates the creep property and microstructural evolution of a near eutectic Al-10Ce alloy manufactured by LPBF. The alloy exhibited good creep resistance and relatively stable microstructure after creep deformation.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2023)
Article
Chemistry, Physical
Yunhao Zhao, Wei Xiong
Summary: This study investigates the effect of homogenization time on phase transformations during isothermal aging in Inconel 718 alloys. Contrasting behaviors are observed in the particle size of γ' and γ" in aged samples, depending on the homogenization time and the alloy processing method. Additionally, differences in particle size and precipitate number densities between alloys produced via different methods result in variations in hardness, and significant grain refinement is observed in 1 h homogenized samples. This study elucidates the crucial role of homogenization in attaining the desired microstructure and provides novel insights for developing post-heat treatment strategies for superalloys.
Article
Chemistry, Physical
Yao Xiao, Jicheng Wang, Qianyu Deng, Li Feng, Dianming Peng, Hui Feng, Kai Li, Yong Du
Summary: Cast defects are common and hard to eliminate without deformation in cast alloys, degrading their mechanical properties. The addition of Sn was found to have a deleterious effect on Al-Si alloy's mechanical properties, forming amorphous Sn oxides near alumina film or enclosures. The high Sn content trapped in enclosures resulted in more shrinkage pores during solidification, leading to cracks along these pores and amorphous Sn oxides, deteriorating the mechanical properties. This study suggests not adding Sn to various cast Al alloys.
Article
Chemistry, Physical
Qiao Yan, Yu Qiu, Mingjun Yang, Qiang Lu, Han Lin, Mingbo Yang, Kai Li, Yong Du
Summary: This study investigates the effects of high quenching rates on the grain boundary microstructures and mechanical properties of an Al-Mg-Si-Cu alloy. The results show that the rapidly quenched samples at -40 degrees C exhibit better comprehensive mechanical properties than the water-quenched samples. Transmission electron microscopy studies reveal that the rapidly quenched samples have wider precipitate free zones, shorter intragranular precipitates, and larger grain boundary precipitates than water-quenched samples.
Article
Engineering, Manufacturing
Noah Sargent, Yuankang Wang, Daozheng Li, Yunhao Zhao, Xin Wang, Wei Xiong
Summary: In this study, new alloys were discovered using powder-based directed energy deposition, with a mixture of 77 wt.% Inconel 718 (IN718) and Stainless Steel 316L (SS316L) showing an intriguingly fine grain structure. Residual stress from the laser melting process was identified as the primary cause of the observed grain refinement phenomenon. This discovery demonstrates the potential of in-situ mixing of commercially available powders to develop next-generation feedstock materials for additive manufacturing and improve the understanding of process-microstructure-property relationships.
ADDITIVE MANUFACTURING LETTERS
(2023)
Article
Engineering, Manufacturing
Yunhao Zhao, Jason Ratay, Kun Li, Hitomi Yamaguchi, Wei Xiong
Summary: This study demonstrates the significant impact of combining MAF and heat treatment on the surface quality and performance relationships of Inconel 718 superalloys, providing new perspectives for post-processing optimization of additively manufactured alloys.
JOURNAL OF MANUFACTURING AND MATERIALS PROCESSING
(2022)
Article
Electrochemistry
Wenjiao Zhao, Magnus Rohde, Ijaz Ul Mohsin, Carlos Ziebert, Yong Du, Hans J. Seifert
Summary: In this study, commercial coin cells with LiNi0.6Mn0.2Co0.2O2 positive electrode material were investigated using calorimeters and microscopy techniques. The onset temperature and self-heating rate for thermal runaway events were determined. The research provides a comprehensive understanding of the processes leading to thermal runaway.
