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Phase diagram and quench dynamics of a periodically drivenHaldane model
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作者 Minxuan Ren Han Yang Mingyuan Sun 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第9期317-325,共9页
We investigate a periodically driven Haldane model subjected to a two-stage driving scheme in the form of a step function.By using the Floquet theory,we obtain the topological phase diagram of the system.We also find ... We investigate a periodically driven Haldane model subjected to a two-stage driving scheme in the form of a step function.By using the Floquet theory,we obtain the topological phase diagram of the system.We also find that anomalous Floquet topological phases exist in the system.Focusing on examining the quench dynamics among topological phases,we analyze the site distribution of the 0-mode and p-mode edge states in long-period evolution after a quench.The results demonstrate that,under certain conditions,the site distribution of the 0-mode can be confined at the edge even in long-period evolution.Additionally,both the 0-mode and p-mode can recover and become confined at the edge in long-period evolution when the post-quench parameters(T,M_(2) /M_(1))in the phase diagram cross away from the phase boundary (M_(2)/ M_(1))=(6√3t2)/ (M_(1)−1.Furthermore,we conclude that whether the edge state is confined at the edge in the long-period evolution after a quench depends on the similarity of the edge states before and after the quench.Our findings reveal some new characteristics of quench dynamics in a periodically driven system. 展开更多
关键词 FLOQUET system Haldane MODEL QUENCH DYNAMICS topological phase diagram
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A Future Life of Binary Phase Diagrams
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作者 Yuri Ustinovshikov 《Advances in Materials Physics and Chemistry》 CAS 2024年第8期123-136,共14页
The article raises the question of what to do with one of the main achievements of metal science in recent years—binary phase diagrams. These diagrams play a key role in the science of alloys and therefore their reli... The article raises the question of what to do with one of the main achievements of metal science in recent years—binary phase diagrams. These diagrams play a key role in the science of alloys and therefore their reliability must be complete. However, the discovery of the “ordering-separation” phase transition, which showed that in binary alloys at certain temperatures the sign of the chemical interatomic interaction changes (and, consequently, the microstructure changes), forces us to reconsider our ideas about those areas. Currently, these areas are designated on diagrams as areas of a “disordered solid solution.” This article proposes, using transmission electron microscopy, to study all the so-called solid solution regions, and apply the results obtained to the studied regions of the phase diagram. 展开更多
关键词 phase Transformation “Ordering-Separation” Electronic Transition “Ionic Bond Covalent Bond” Binary phase diagrams Transmission Electron Microscopy
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Phase-engineering modulation of Mn-based oxide cathode for constructing super-stable sodium storage 被引量:1
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作者 Quanqing Zhao Ruru Wang +5 位作者 Ming Gao Bolin Liu Jianfeng Jia Haishun Wu Youqi Zhu Chuanbao Cao 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期421-427,I0010,共8页
The Mn-based oxide cathode with enriched crystal phase structure and component diversity can provide the excellent chemistry structure for Na-ion batteries.Nevertheless,the broad application prospect is obstructed by ... The Mn-based oxide cathode with enriched crystal phase structure and component diversity can provide the excellent chemistry structure for Na-ion batteries.Nevertheless,the broad application prospect is obstructed by the sluggish Na^(+)kinetics and the phase transitions upon cycling.Herein,we establish the thermodynamically stable phase diagram of various Mn-based oxide composites precisely controlled by sodium content tailoring strategy coupling with co-doping and solid-state reaction.The chemical environment of the P2/P'3 and P2/P3 biphasic composites indicate that the charge compensation mechanism stems from the cooperative contribution of anions and cations.Benefiting from the no phase transition to scavenge the structure strain,P2/P'3 electrode can deliver long cycling stability(capacity retention of 73.8%after 1000 cycles at 10 C)and outstanding rate properties(the discharge capacity of 84.08 mA h g^(-1)at 20 C)than P2/P3 electrode.Furthermore,the DFT calculation demonstrates that the introducing novel P'3 phase can significantly regulate the Na^(+)reaction dynamics and modify the local electron configuration of Mn.The effective phase engineering can provide a reference for designing other high-performance electrode materials for Na-ion batteries. 展开更多
关键词 Sodium ion battery Oxide cathode phase engineering phase diagram Na~+kinetic
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In situ observation of the phase transformation kinetics of bismuth during shock release
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作者 李江涛 王倩男 +7 位作者 徐亮 柳雷 张航 Sota Takagi Kouhei Ichiyanagi Ryo Fukaya Shunsuke Nozawa 胡建波 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第4期586-592,共7页
A time-resolved x-ray diffraction technique is employed to monitor the structural transformation of laser-shocked bismuth.Results reveal a retarded transformation from the shock-induced Bi-Ⅴphase to a metastable Bi-... A time-resolved x-ray diffraction technique is employed to monitor the structural transformation of laser-shocked bismuth.Results reveal a retarded transformation from the shock-induced Bi-Ⅴphase to a metastable Bi-Ⅳphase during the shock release,instead of the thermodynamically stable Bi-Ⅲphase.The emergence of the metastable Bi-Ⅳphase is understood by the competitive interplay between two transformation pathways towards the Bi-Ⅳand Bi-Ⅲ,respectively.The former is more rapid than the latter because the Bi-Ⅴto B-Ⅳtransformation is driven by interaction between the closest atoms while the Bi-Ⅴto B-Ⅲtransformation requires interaction between the second-closest atoms.The nucleation time for the Bi-Ⅴto Bi-Ⅳtransformation is determined to be 5.1±0.9 ns according to a classical nucleation model.This observation demonstrates the importance of the formation of the transient metastable phases,which can change the phase transformation pathway in a dynamic process. 展开更多
关键词 phase transformation time-resolved x-ray diffraction(XRD) BISMUTH metastable phase nonequilibrium phase diagram
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Optimal parameter space for stabilizing the ferroelectric phase of Hf_(0.5)Zr_(0.5)O_(2) thin films under strain and electric fields
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作者 王侣锦 王聪 +4 位作者 周霖蔚 周谐宇 潘宇浩 吴幸 季威 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第7期509-517,共9页
Hafnia-based ferroelectric materials, like Hf_(0.5)Zr_(0.5)O_(2)(HZO), have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices. The orthorhombic(O)-phase of HZO is fe... Hafnia-based ferroelectric materials, like Hf_(0.5)Zr_(0.5)O_(2)(HZO), have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices. The orthorhombic(O)-phase of HZO is ferroelectric but metastable in its bulk form under ambient conditions, which poses a considerable challenge to maintaining the operation performance of HZO-based ferroelectric devices. Here, we theoretically addressed this issue that provides parameter spaces for stabilizing the O-phase of HZO thin-films under various conditions. Three mechanisms were found to be capable of lowering the relative energy of the O-phase, namely, more significant surface-bulk portion of(111) surfaces, compressive c-axis strain,and positive electric fields. Considering these mechanisms, we plotted two ternary phase diagrams for HZO thin-films where the strain was applied along the in-plane uniaxial and biaxial, respectively. These diagrams indicate the O-phase could be stabilized by solely shrinking the film-thickness below 12.26 nm, ascribed to its lower surface energies. All these results shed considerable light on designing more robust and higher-performance ferroelectric devices. 展开更多
关键词 Hf_(0.5)Zr_(0.5)O_(2) orthorhombic phase ferroelectric films phase stability thickness-dependent ternary phase diagrams
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Holographic alloy positioning design system and holographic network phase diagrams of Au-Cu system 被引量:3
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作者 谢佑卿 刘心笔 +2 位作者 李小波 彭红建 聂耀庄 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2015年第3期885-906,共22页
Taking Au?Cu system as an example, three discoveries and two methods were presented. First, a new way for boosting sustainable progress of systematic metal materials science (SMMS) and alloy gene engineering (AGE) is ... Taking Au?Cu system as an example, three discoveries and two methods were presented. First, a new way for boosting sustainable progress of systematic metal materials science (SMMS) and alloy gene engineering (AGE) is to establish holographic alloy positioning design (HAPD) system, of which the base consists of measurement and calculation center, SMMS center, AGE center, HAPD information center and HAPD cybernation center; Second, the resonance activating-sychro alternating mechanism of atom movement may be divided into the located and oriented diffuse modes; Third, the equilibrium and subequilibrium holographic network phase diagrams are blueprints and operable platform for researchers to discover, design, manufacture and deploy advanced alloys, which are obtained respectively by the equilibrium lever numerical method and cross point numerical method of isothermal Gibbs energy curves. As clicking each network point, the holographic information of three structure levels for the designed alloy may be readily obtained: the phase constitution and fraction, phase arranging structure and properties of organization; the composition, alloy gene arranging structure and properties of each phase and the electronic structures and properties of alloy genes. It will create a new era for network designing advanced alloys. 展开更多
关键词 Au-Cu system holographic alloy positioning design system equilibrium and subequilibrium holographic network phase diagrams systematic metal materials science network designing advanced alloys
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Alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of AuCu_3-type sublattice system 被引量:3
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作者 谢佑卿 李小波 +2 位作者 刘心笔 聂耀庄 彭红建 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2014年第11期3585-3610,共26页
Taking AuCu3-type sublattice system as an example, three discoveries have been presented: First, the third barrier hindering the progress in metal materials science is that researchers have got used to recognizing exp... Taking AuCu3-type sublattice system as an example, three discoveries have been presented: First, the third barrier hindering the progress in metal materials science is that researchers have got used to recognizing experimental phenomena of alloy phase transitions during extremely slow variation in temperature by equilibrium thinking mode and then taking erroneous knowledge of experimental phenomena as selected information for establishing Gibbs energy function and so-called equilibrium phase diagram. Second, the equilibrium holographic network phase diagrams of AuCu3-type sublattice system may be used to describe systematic correlativity of the composition?temperature-dependent alloy gene arranging structures and complete thermodynamic properties, and to be a standard for studying experimental subequilibrium order-disorder transition. Third, the equilibrium transition of each alloy is a homogeneous single-phase rather than a heterogeneous two-phase, and there exists a single-phase boundary curve without two-phase region of the ordered and disordered phases; the composition and temperature of the top point on the phase-boundary curve are far away from the ones of the critical point of the AuCu3 compound. 展开更多
关键词 AuCu3 compound AuCu3-type sublattice system alloy gene Gibbs energy partition function equilibrium holographic network phase diagram systematic metal materials science
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Alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of Au_3Cu-type sublattice system 被引量:3
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作者 谢佑卿 聂耀庄 +2 位作者 李小波 彭红建 刘心笔 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2015年第1期211-240,共30页
Taking Au3Cu-type sublattice system as an example, three discoveries have been presented. First, the fourth barrier to hinder the progress of metal materials science is that today’s researchers do not understand that... Taking Au3Cu-type sublattice system as an example, three discoveries have been presented. First, the fourth barrier to hinder the progress of metal materials science is that today’s researchers do not understand that the Gibbs energy function of an alloy phase should be derived from Gibbs energy partition function constructed of alloy gene sequence and their Gibbs energy sequence. Second, the six rules for establishing alloy gene Gibbs energy partition function have been discovered, and it has been specially proved that the probabilities of structure units occupied at the Gibbs energy levels in the degeneracy factor for calculating configuration entropy should be degenerated as ones of component atoms occupied at the lattice points. Third, the main characteristics unexpected by today’s researchers are as follows. There exists a single-phase boundary curve without two-phase region coexisting by the ordered and disordered phases. The composition and temperature of the top point on the phase-boundary curve are far away from those of the critical point of the Au3Cu compound; At 0 K, the composition of the lowest point on the composition-dependent Gibbs energy curve is notably deviated from that of the Au3Cu compounds. The theoretical limit composition range of long range ordered Au3Cu-type alloys is determined by the first jumping order degree. 展开更多
关键词 Au3Cu compound Au3Cu-type sublattice system alloy gene Gibbs energy partition function equilibrium holographic network phase diagrams systematic metal materials science
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Solubility and phase diagrams of hydroxyl manganese chloride 被引量:1
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作者 王云山 张金平 杨刚 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2011年第5期1136-1140,共5页
In the course of the basic research on the ammonia-evaporation reaction of manganese monoxide (MnO), hydroxyl manganese chloride (Mn2(OH)3Cl) was found. The solubility and phase diagrams of the hydroxyl manganes... In the course of the basic research on the ammonia-evaporation reaction of manganese monoxide (MnO), hydroxyl manganese chloride (Mn2(OH)3Cl) was found. The solubility and phase diagrams of the hydroxyl manganese chloride were investigated. The aqueous thermostat and vibrating bed were used to determine the solubility of hydroxyl manganese chloride in water, ammonium chloride and manganese chloride system, and the phase diagrams of multicomponent system were drawn. The research results indicate that hydroxyl manganese chloride has been produced in laboratory and is in favor of the solid-liquid separation at high temperature. 展开更多
关键词 ammonia-evaporation hydroxyl manganese chloride SOLUBILITY phase diagram
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Thermodynamic modelling and applications of Ce-La-O phase diagram
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作者 龚伟平 张瑞 陈忠胜 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2011年第12期2671-2676,共6页
The Ce-La-O system was investigated via experiments and thermodynamic modeling. A series of CeO2-LaO1.5 mixtures were prepared by co-precipitation technique and examined by X-ray diffraction. Mutual solubilities betwe... The Ce-La-O system was investigated via experiments and thermodynamic modeling. A series of CeO2-LaO1.5 mixtures were prepared by co-precipitation technique and examined by X-ray diffraction. Mutual solubilities between LaO1.5 and CeO2 at 1273 K were determined. Using the new experimental data together with literature information, a set of self-consistent thermodynamic parameters for the CeO2-LaO1.5 system were optimized. Combined with thermodynamic descriptions of Ce-O and La-O systems from literature, several property diagrams of Ce-La-O system were calculated and used to explain oxidation process of the Ce-La alloys. The fluorite phase is the unique oxidation products for most of the Ce-La alloys. 展开更多
关键词 Ce-La alloy phase diagram THERMODYNAMICS OXIDATION
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Thermodynamic Modeling and Phase Diagrams of Hexagonal and Cubic GaN Single-Crystal FilmGrowth by ECR-PEMOCVD Method
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作者 王三胜 顾彪 《Journal of Semiconductors》 EI CAS CSCD 北大核心 2004年第9期1041-1047,共7页
Based on thermodynamic equilibrium theory,a chemical equilibrium model for GaN g rowth is given in electron cyclotron resonance plasma enhanced metalorganic chem ical vapor deposition (ECR-PEMOCVD) system.Calculation ... Based on thermodynamic equilibrium theory,a chemical equilibrium model for GaN g rowth is given in electron cyclotron resonance plasma enhanced metalorganic chem ical vapor deposition (ECR-PEMOCVD) system.Calculation indicates that the growt h driving force are functions of growth conditions:group Ⅲ input partial press ure,input Ⅴ/Ⅲ ratio,and growth temperature.Furthermore,the growth phase diag rams of hexagonal and cubic GaN film growth are obtained,which are consistent wi th our experimental conditions to some extent.Through analysis,it is explained t he reason that high temperature and high input Ⅴ/Ⅲ ratio are favorable for he xagonal GaN film growth.This model can be extended to the similar systems used f or GaN single-crystal film growth. 展开更多
关键词 GAN ECR-PEMOCVD thermodynamic analysis growth phase diagram
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Development of advanced materials based on phase diagrams and microstructural control
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作者 石田清仁 《材料与冶金学报》 CAS 2005年第2期82-82,共1页
Recent progress on research activities of phase diagrams in our laboratory has been presented. Experimental studies and thermodynamic calculations based on CALPHAD (Calculation of Phase Diagrams) method have been cond... Recent progress on research activities of phase diagrams in our laboratory has been presented. Experimental studies and thermodynamic calculations based on CALPHAD (Calculation of Phase Diagrams) method have been conducted in the following alloy systems.1.Database on microalloying steels including carbide, nitride and sulfide is now being constructed.2.ADAMIS (Alloy Database for Micro-Solders) containing 8 elements of Ag, Bi, Cu,In, Sb, Sn, Zn and Pb has been constructed, which can handle all combinations of these elements and all composition ranges.3.A thermodynamic database of Cu-base alloys including Cu-X binary system and Cu-Fe, Cu-Ni, Cu-Cr base ternary systems has been constructed.4.Experimental and thermodynamic calculations on Fe, Ni, Co and Ti aluminides have been conducted.5.Experimental and thermodynamic calculations on Co base magnetic recording media have been conducted.6.Thermodynamic analysis of interaction between magnetic and chemical orderings has been performed.By utilizing the information on phase diagrams, the following advanced materials have been developed. (A)New type of high speed steel with high hardness about Hv≈1000 by carbide dispersion carburizing method. (B)New Pb-free machinable stainless steel using titanium carbosulphide. (C)New Pb-free solder for Die-attaching use. (D)Shape memory alloys; Cu-base, Ferromagnetic Ni-base and Fe-base. (E)Invar alloys. (F)Egg-type powder.Typical examples of phase diagrams, phase stability, database and its application for the development of advanced materials will be presented. 展开更多
关键词 相图 组织控制 先进材料开发 热力学计算
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Thermodynamic database development—modeling and phase diagram calculations in oxide systems 被引量:14
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作者 Arthur D.Pelton 《Rare Metals》 SCIE EI CAS CSCD 2006年第5期473-480,共8页
The databases of the FactSage thermodynamic computer system have been under development for 30 years. These databases contain critically evaluated and opthnized data for thousands of compounds and hundreds of multicom... The databases of the FactSage thermodynamic computer system have been under development for 30 years. These databases contain critically evaluated and opthnized data for thousands of compounds and hundreds of multicomponent solutions of solid and liquid metals, oxides, salts, sulfides, etc. The databases are automatically accessed by user-friendly software that calculates complex multiphase equilibria in large multicomponent systems for a wide variety of possible input/output constraints. The databases for solutions have been developed by critical evaluation/optimization of all available phase equilibrium and thermodynamic data. The databases contain parameters of models specifically developed for different types of solutions involving sublattices, ordering, etc. Through the optimization process, model parameters are found which reproduce all thermodynamic and phase equilibrium data within experimental error limits and permit extrapolation into regions of tempea'ature and composition where data are unavailable. The present article focuses on the databases for solid and liquid oxide phases involving 25 elements. A short review of the available databases is presented along with the models used for the molten slag and the solid solutions such as spinel, pyroxene, olivine, monoxide, corundum, etc. The critical evaluation/optimization procedure is outlined using examples from the Al203-SiO2-CaO-FeO-Fe2O3 system. Sample calculations are presented in which the oxide databases are used in conjunction with the FactSage databases for metallic and other phases. In particular, the use of the FactSage module for the calculation of multicomponent phase diagrams is illustrated. 展开更多
关键词 THERMODYNAMICS OXIDES DATABASES phase diagrams
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MOLTEN SALT PHASE DIAGRAMS CALCULATION USING ARTIFICIAL NEURAL NETWORK OR PATTERN RECOGNITION-BOND PARAMETERS PART 3.ESTIMATION OF LIQUIDUS TEMPERATURE AND EXPERT SYSTEM 被引量:3
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作者 Wang, Xueye Qiu, Guanzhou +2 位作者 Wang, Dianzuo Li, Chonghe Chen, Nianyi 《中国有色金属学会会刊:英文版》 EI CSCD 1998年第3期150-154,共5页
1INTRODUCTIONTheexperimentaldataontheliquiduslinesorsurfacesinbinaryorternarysystemsfromreferencesarealways... 1INTRODUCTIONTheexperimentaldataontheliquiduslinesorsurfacesinbinaryorternarysystemsfromreferencesarealwaysfinite.Sometimest... 展开更多
关键词 phase diagram CALCULATION artificial NEURAL network bond parameter MOLTEN SALT SYSTEM EXPERT SYSTEM
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New formulae for calculating activities from binary system phase diagrams containing solid solution by introducing the parameterθ 被引量:3
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作者 ZHANG Fan XIE Fanyou +1 位作者 CAI Wenjuan CHOU Kuochih (Applied Science School, University of Science and Technology Beijing, Beijing 100083, China) 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 1997年第3期1-4,共4页
New formulae for calculating activities and activity coefficients from binary phase diagrams containing solidsolution are presented. In the new formulae, a parameterθ is introduced. It seems be more efficient The app... New formulae for calculating activities and activity coefficients from binary phase diagrams containing solidsolution are presented. In the new formulae, a parameterθ is introduced. It seems be more efficient The application ofthese formulae to system Ag-Pb proves its efficiency. 展开更多
关键词 phase diagram ACTIVITY activity coefficient solution θ parameter
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NEW METHODS FOR CALCULATING ACTIVITIES OF COMPONENTS FROM PHASE DIAGRAMS IN BINARY PERITECTIC SYSTEMS 被引量:2
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作者 Zhang, Yongjun Zhang, Xunying Fu, Chongyue 《中国有色金属学会会刊:英文版》 EI CSCD 1997年第2期48-54,共7页
NEWMETHODSFORCALCULATINGACTIVITIESOFCOMPONENTSFROMPHASEDIAGRAMSINBINARYPERITECTICSYSTEMS①ZhangYongjunHunanSu... NEWMETHODSFORCALCULATINGACTIVITIESOFCOMPONENTSFROMPHASEDIAGRAMSINBINARYPERITECTICSYSTEMS①ZhangYongjunHunanSuperiorTechMateri... 展开更多
关键词 THERMODYNAMICS phase diagramS activity calculation BINARY PERITECTIC SYSTEMS
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Studies on Phase Behavior of Alkyl Polyglucoside Based on Microemulsions with Modified Fishlike Phase Diagram 被引量:2
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作者 JinLingCHAI GanZuoLI +1 位作者 ZhaoYuDIAO GaoYongZHANG 《Chinese Chemical Letters》 SCIE CAS CSCD 2004年第3期361-364,共4页
The three-phase behavior in the quaternary system of an alkyl (C8/10- or C12/14-) polyglucoside / 1-butanol / n-octane / water has been studied at 40 ℃ with the modified fishlike phase diagram, which is presented by ... The three-phase behavior in the quaternary system of an alkyl (C8/10- or C12/14-) polyglucoside / 1-butanol / n-octane / water has been studied at 40 ℃ with the modified fishlike phase diagram, which is presented by us for the first time. The mass fraction of 1-butanol in the hydrophile-lipophile balanced interfacial layer, AS, the coordinates of the start point B and the end point E of the phase diagram, and the solubilities of alkyl polyglucoside and 1-butanol in n-octane phase were calculated. The solubilization of the microemulsion was also discussed. 展开更多
关键词 Alkyl polyglucoside MICROEMULSION phase diagram solubilization.
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Thermodynamic database of the phase diagrams in the Mg-Al-Zn-Y-Ce system 被引量:2
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作者 LIU Xingjun WANG Cuiping +2 位作者 WEN Mingzhong CHEN Xing PAN Fusheng 《Rare Metals》 SCIE EI CAS CSCD 2006年第5期441-447,共7页
The Mg-Al-Zn-Y-Ce system is one of the key systems for designing high-strength Mg alloys. The purpose of the present article is to develop a thermodynamic database for the Mg-Al-Zn-Y-Ce multicomponent system to design... The Mg-Al-Zn-Y-Ce system is one of the key systems for designing high-strength Mg alloys. The purpose of the present article is to develop a thermodynamic database for the Mg-Al-Zn-Y-Ce multicomponent system to design Mg alloys using the calculation of phase diagrams (CALPHAD) method, where the Gibbs energies of solution phases such as liquid, fcc, bcc, and hcp phases were described by the subregular solution model, whereas those of all the compounds were described by the sublattice model. The thermodynamic parameters describing Gibbs energies of the different phases in this database were evaluated by fitting the experimental data for phase equilibria and thermodynamic properties. On the basis of this database, a lot of information concerning stable and metastable phase equilibria of isothermal and vertical sections, molar fractions of constituent phases, the liquidus projection, etc., can be predicted. This database is expected to play an important role in the design of Mg alloys. 展开更多
关键词 thermodynamic database CALPHAD method phase diagram Mg-Al-Zn-Y-Ce system magnesium alloys
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Thermodynamic modeling and phase diagram prediction of salt lake brine systems.Ⅰ. Aqueous Mg^2+–Ca^2+–Cl^- binary and ternary systems 被引量:9
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作者 Huan Zhou Xiaolong Gu +4 位作者 Yaping Dai Jingjing Tang Jian Guo Guangbi Li Xiaoqin Bai 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2020年第9期2391-2408,共18页
Salt lake brine is a complex salt-water system under natural environment.Although many models can express the thermodynamic properties and phase equilibrium of electrolyte aqueous solution,the multi-temperature charac... Salt lake brine is a complex salt-water system under natural environment.Although many models can express the thermodynamic properties and phase equilibrium of electrolyte aqueous solution,the multi-temperature characteristics and predictability are still the goals of model development.In this study,a comprehensive thermodynamic model system is re-established based on the eNRTL model and some improvements:(1) new expression of long-range electrostatic term with symmetrical reference state is proposed to handle the electrolyte solution covering entire concentration range;(2) the temperature dependence of the binary interaction parameters is formulated with a Gibbs Helmholtz expression containing three temperature coefficients,the liquid parameters,which associated with Gibbs energy,enthalpy,and heat capacity contribution;and(3) liquid parameters and solid species data are regressed from properties and solubility data at full temperature range.Together the activity coefficient model,property models and parameters of liquid and solid offer a comprehensive thermodynamic model system for the typical bittern of MgCl2-CaCl2-H2 O binary and ternary systems,and it shows excellent agreement with the literature data for the ternary and binary systems.The successful prediction of complete phase diagram of ternary system shows that the model has the ability to deal with high concentration and high non-idealitv system,and the ability to extrapolate the temperature. 展开更多
关键词 Aqueous electrolytes Comprehensive thermodynamic model MgCl2-CaCl2-H2O phase diagram Thermodynamic properties
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Ground-State Phase Diagram of Transverse Spin-2 Ising Model with Longitudinal Crystal-Field 被引量:5
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作者 ZHAO Jie WEI Guo-Zhu XU Xing-Guang 《Communications in Theoretical Physics》 SCIE CAS CSCD 2006年第4期749-753,共5页
The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal-field is studied within the mean-field theory based on Bogoliubov inequality for the Gibbs free energy. The ground-state phase diagram and th... The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal-field is studied within the mean-field theory based on Bogoliubov inequality for the Gibbs free energy. The ground-state phase diagram and the tricritical point are obtained in the transverse field Ω/ zJ-longitudinal crystal D / zJ field plane. We find that there are the first order-order phase transitions in a very small range of D /zJ besides the usual first order-disorder phase transitions and the second order-disorder phase transitions, 展开更多
关键词 transverse spin-2 Ising model longitudinal crystal field ground state phase diagram first orderorder phase transition
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