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Prediction of the thermal conductivity of Mg–Al–La alloys by CALPHAD method

International Journal of Minerals,Metallurgy and Materials 2024年第1期31卷 129-137页

作者： Hongxia Li Wenjun Xu Yufei Zhang Shenglan Yang Lijun Zhang Bin Liu Qun Luo Qian Li State Key Laboratory of Advanced Special Steels&Shanghai Key Laboratory of Advanced Ferrometallurgy&School of Materials Science and Engineering Shanghai UniversityShanghai 200444China National Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China State Key Laboratory of Powder Metallurgy Central South UniversityChangsha 410083China College of Materials Science and Engineering Chongqing UniversityChongqing 400044China National Key Laboratory of Advanced Casting Technologies Chongqing UniversityChongqing 400044China

Mg-Al alloys have excellent strength and ductility but relatively low thermal conductivity due to Al *** accurate prediction of thermal conductivity is a prerequisite for designing Mg-Al alloys with high thermal ***,databases for predicting temperature-and composition-dependent thermal conductivities must be *** this study,Mg-Al-La alloys with different contents of Al2La,Al3La,and Al11La3phases and solid solubility of Al in the α-Mg phase were *** influence of the second phase(s) and Al solid solubility on thermal conductivity was *** results revealed a second phase transformation from Al_(2)La to Al_(3)La and further to Al_(11)La_(3)with the increasing Al content at a constant La *** degree of the negative effect of the second phase(s) on thermal diffusivity followed the sequence of Al2La>Al3La>Al_(11)La_(3).Compared with the second phase,an increase in the solid solubility of Al in α-Mg remarkably reduced the thermal *** the basis of the experimental data,a database of the reciprocal thermal diffusivity of the Mg-Al-La system was established by calculation of the phase diagram (CALPHAD)*** a standard error of±1.2 W/(m·K),the predicted results were in good agreement with the experimental *** established database can be used to design Mg-Al alloys with high thermal conductivity and provide valuable guidance for expanding their application prospects.

关键词： magnesium alloy thermal conductivity thermodynamic calculations materials computation

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thermodynamic analysis of the compositional control of inclusions in cutting-wire steel

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International Journal of Minerals,Metallurgy and Materials 2014年第7期21卷 647-653页

作者： Jing Zhang Fu-ming Wang Chang-rong Li School of Metallurgical and Ecological Engineering University of Science and Technology Beijing State Key Laboratory of Advanced Metallurgy University of Science and Technology Beijing School of Materials Science and Engineering University of Science and Technology Beijing

Data from a thermodynamic database and the calculation software FactSage were used to investigate the phase diagrams of the MnO？CaO？SiO2？Al2O3 system in cutting-wire steel and the effects of oxide components on the low-melting-point （LMP） zone in the cor-responding phase diagrams. Furthermore, the activities of oxide components in the quaternary system at an Al2O3 content of 25wt%were calculated. The contents of dissolved [Al] and [O] in liquid steel in equilibrium with LMP inclusions in the MnO-CaO-SiO2-Al2O3 system were optimized. The results show that the MnO-CaO-SiO2-Al2O3 system possesses the largest LMP zone （below 1400℃） at an Al2O3 content of 25wt%and that the CaO content should be simultaneously controlled in the range of 40wt%to 45wt%. The activities of the oxide components CaO, MnO, and SiO2 should be restricted in the ranges of 0 to 0.05, 0.01 to 0.6, and 0.001 to 0.8, respectively. To obtain LMP inclusions, the [Al] and [O] contents in cutting-wire steel must be controlled within the ranges of 0.5 ×10^-6 to 1.0 ×10^-5 and 3.0 ×10^-6 to 5.0 × 10^-5, respectively.

关键词： wire steel curing inclusions thermodynamic calculations activity oxides

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Microstructural evolution of Al-8.59Zn-2.00Mg-2.44Cu during homogenization

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International Journal of Minerals,Metallurgy and Materials 2014年第12期21卷 1215-1221页

作者： Wen-xiang Shu Jun-cheng Liu Long-gang Hou Hua Cui Jun-tao Liu Ji-shan Zhang State Key Laboratory for Advanced Metals and Materials University of Science and Technology Beijing School of Materials Science and Engineering University of Science and Technology Beijing State Key Laboratory for Fabrication and Processes of Nonferrous Metals General Research Institute for Nonferrous Metals

The microstructural evolution and phase transformations of a high-alloyed Al-Zn-Mg-Cu alloy （Al-8.59Zn-2.00Mg-2.44Cu,wt%） during homogenization were investigated. The results show that the as-cast microstructure mainly contains dendritic α（Al）, non-equilibrium eutectics （α（Al）＋ Mg（Zn,Al,Cu）2）, and the θ （Al2Cu） phase. Neither the T （Al2Mg3Zn3） phase nor the S （Al2CuMg） phase was found in the as-cast alloy. The calculated phase components according to the Scheil model are in agreement with experimental results. During homogenization at 460℃, all of the θ phase and most of the Mg（Zn,Al,Cu）2 phase were dissolved, whereas a portion of the Mg（Zn,Al,Cu）2 phase was transformed into the S phase. The type and amount of residual phases remaining after homogenization at 460℃ for 168 h and by a two-step homogenization process conducted at 460℃ for 24 h and 475℃ for 24 h （460℃/24 h ＋ 475℃/24 h） are in good accord with the calculated phase diagrams. It is concluded that the Al-8.59Zn-2.00Mg-2.44Cu alloy can be homogenized adequately under the 460℃/24 h ＋ 475℃/24 h treatment.

关键词： aluminum alloys homogenization microstructural evolution phase composition thermodynamic calculations

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Selective lithium recovery from black powder of spent lithiumion batteries via sulfation reaction:phase conversion and impurities influence

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Rare Metals 2023年第7期42卷 2350-2360页

作者： Hao Liu Jia-Liang Zhang Guo-Qiang Liang Meng Wang Yong-Qiang Chen Cheng-Yan Wang State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing100083China School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing100083China Beijing Key Laboratory of Green Recycling and Extraction of Metals Beijing100083China

The aim of this study is to present a new understanding for the selective lithium recovery from spent lithium-ion batteries(LIBs)via sulfation *** composition of roasting products and reaction behavior of impurity elements were analyzed through thermodynamic ***,the effects of sulfuric acid dosage,roasting temperature,roasting time,and impurity elements were assessed on the leaching efficiency of valuable *** methods such as X-ray diffraction(XRD),scanning electron microscopy-energy dispersive spectroscopy(SEM-EDS),and X-ray photoelectron spectroscopy(XPS)were employed to analyze the phase transformation mechanism during roasting *** results indicate that after sulfation roasting(n(H_(2)SO_(4)):n(Li)=0.5,550℃,2 h),94%lithium can be selectively recovered by water leaching and more than 95%Ni,Co,and Mn can be leached through acid leaching without the addition of reduction *** the sulfation roasting process,the lithium in LiNi_(x)Mn_(y)Co_zO_(2)is mainly converted to Li_(2)SO_(4),while the Ni,Co and Mn are first transformed to sulfate and then converted into oxide *** addition,impurity elements such as Al and F will combine with lithium to form LiF and LiAlO_(2),which will reduce the leaching rate of *** results provide a new understanding on the mechanisms of phase conversion during sulfation roasting and reveal the influence of impurity elements for the lithium recovery from spent LIBs.

关键词： Spent lithium-ion batteries(LIBs) thermodynamic calculations Sulfation roasting Impurity elements Conversion mechanism

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Desulfurization ability of refining slag with medium basicity

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International Journal of Minerals,Metallurgy and Materials 2014年第12期21卷 1160-1166页

作者： Hui-xiang Yu Xin-hua Wang Mao Wang Wan-jun Wang State Key Laboratory of Advanced Metallurgy University of Science and Technology Beijing School of Metallurgical and Ecological Engineering University of Science and Technology Beijing

The desulfurization ability of refining slag with relative lower basicity （B） and Al2O3 content （B = 3.5-5.0; 20wt%-25wt% Al2O3） was studied. Firstly, the component activities and sulfide capacity （Cs） of the slag were calculated. Then slag-metal equilibrium experiments were carried out to measure the equilibrium sulfur distribution （Ls）. Based on the laboratorial experiments, slag composition was optimized for a better desulfurization ability, which was verified by industrial trials in a steel plant. The obtained results indicated that an MgO-saturated CaO-Al2O3-SiO2-MgO system with the basicity of about 3.5-5.0 and the Al2O3 content in the range of 20wt%-25wt% has high activity of CaO （αCaO）, with no deterioration of Cs compared with conventional desulfurization slag. The measured Ls between high-strength low-alloyed （HSLA） steel and slag with a basicity of about 3.5 and an Al2O3 content of about 20wt% and between HSLA steel and slag with a basicity of about 5.0 and an Al2O3 content of about 25wt% is 350 and 275, respectively. The new slag with a basicity of about 3.5-5.0 and an Al2O3 content of about 20wt% has strong desulfurization ability. In particular, the key for high-efficiency desulfurization is to keep oxygen potential in the reaction system as low as possible, which was also verified by industrial trials.

关键词： high-strength steel low alloyed steel refining slag basicity desulfurization thermodynamic calculations

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Design of an age hardening Mg-Li alloy and its aging behavior

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Journal of University of Science and Technology Beijing 2005年第2期12卷 182-186页

作者： HaoZhong PeiyingLiu TietaoZhou HuanxiLi SchoolofMaterialsScienceandEngineering BeijingUniversityofAeronauticsandAstronauticsBeijing100083China

An effort was made to design an age hardening Mg-Li alloy based on the phase diagrams calculated by means of 'THERMO-CALC'—a thermodynamic software. Experiments were carried out to verify the calculated results by melting the alloy and examining its structure and aging behavior. The results show that the alloy possesses a structure constituent as expected, besides, the alloy has apparent aging behavior and over aging happens even at lower temperature. Metastable (Mg, Li, Al, Zn) phase has been identified when the hardness reaches the aging peak. With the increase of the aging time, (Mg, Li, Al, Zn) phase transforms to stable α phase and over aging happens.

关键词： Mg-Li alloy composition design thermodynamic calculations aging

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A simple method to model the reduced environment of lake bottom sapropel formation

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Chinese Journal of Oceanology and Limnology 2017年第4期35卷 956-966页

作者： Olga L.GASKOVA Vera D.STRAKHOVENKO Nadezhda I.ERMOLAEVA Eugene Yu.ZARUBINA Ekaterina A.OVDINA V.S.Sobolev Institute of Geology and Mineralogy Siberian Branch of the Russian Academy of Sciences Novosibirsk State University Institute for Water and Environmental Problems Siberian Branch of the Russian Academy of Sciences

The Kambala and Barchin brackish lakes （Baraba steppe, southern West Siberia） contain an organic-rich sapropel layer that was formed in oxygen-depleted waters. We measured the bulk sediment elemental composition, the water chemistry and determined the mineralogical composition and predominant biota species （Diatoms and Cyanobacteria in phytoplankton community respectively） in the lakes. The result indicates that the first lake has a siliceous type of sapropel and the second a carbonaceous one. A computer thermodynamic model was developed for chemical interaction in water-bottom sediment systems of the Kambala and Barchin Lakes. The surface sodium bicarbonate waters are supersaturated with respect to calcite, magnesite （or low Mg-calcite）, quartz and chlorite with minor strontianite, apatite and goethite （pH 8.9-9.3, Eh 0.3 V）. Nevertheless, it is shown that during sapropel deposition, deep silt waters should be anoxic （Eh〈0 V）. The virtual component CH20 has been used to create an anoxic environment suitable for pyrite formation due to the biotic community impact and abiotic reduction. thermodynamic calculation has shown that silt water is not necessarily euxinic （anoxic and sulfidic）. Depending on Eh, sulfate sulfur can dominate in solution, causing the formation of gypsum together with pyrite. An attempt was made to find a reason for solution supersaturation with respect to Ca and Mg ions due to their complexation with humic acids.

关键词： brackish lakes sapropel sediments mineral composition silica calcite thermodynamic calculations

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A phase equilibriums in the "liquid metal - nonmetallic and intermetallic complex phases,including molten slags,fluxes and salts" systems

A phase equilibriums in the "liquid metal - nonmetallic and ...

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Ninth International Conference on Molten Slags,Fluxes and Salts(MOLTEN12)

作者： Evgeny TROFIMOV Faculty of Metallurgy South Ural State UniversityZlatoust454080 Russia

＜正＞In metallurgy,technology of alloys and nanomaterials and in some other productions various heterogeneous processes take place in presence of the metal melts:oxidation,reduction,thermal decomposition of complex s... 详细信息

关键词： thermodynamic calculations phase equilibria metal melt nonmetallic and intermetallic complex phases pyrometallurgical processes

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