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Crystal structure,Phase transitions,and thermodynamic properties of magnesium metavanadate(MgV_(2)O_(6))

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Journal of Magnesium and Alloys 2024年第4期12卷 1449-1460页

作者： Guishang Pei Cheng Pan Dapeng Zhong Junyi Xiang Xuewei Lv College of Materials Science and Engineering Chongqing UniversityChongqing 400044China Chongqing Key Laboratory of Vanadium-Titanium Metallurgy and Advanced Materials Chongqing UniversityChongqing 400044China Pangang Group Research Institute Co. Ltd.Panzhihua 617000China

As a promising anode material for magnesium ion rechargeable batteries,magnesium metavanadate(MgV_(2)O_(6))has attracted considerable research interest in recent years.A MgV_(2)O_(6)sample was synthesized via a facile solid-state reaction by multistep-firing stoichiometric mixtures of MgO and V2O5 powder under an air atmosphere.The solid-state phase transition fromα-MgV_(2)O_(6)toβ-MgV_(2)O_(6)occurred at 841 K and the enthalpy change was 4.37±0.04 kJ/mol.The endothermic effect at 1014 K and the enthalpy change was 26.54±0.26 kJ/mol,which is related to the incongruent melting ofβ-MgV_(2)O_(6).In situ XRD was performed to investigate phase transition of the as-prepared MgV_(2)O_(6)at high temperatures.The cell parameters obtained by Rietveld refinement indicated that it crystallizes in a monoclinic system with the C2/m space group,and the lattice parameters of a=9.280 A°,b=3.501 A°,c=6.731 A°,β=111.76°.The solid-state phase transition fromα-MgV_(2)O_(6)toβ-MgV_(2)O_(6)was further studied by thermal kinetics,indicating that this process is controlled first by a fibril-like mechanism and then by a spherulitic-type mechanism with an increasing heating rate.Additionally,the enthalpy change of MgV_(2)O_(6)at high temperatures was measured utilizing the drop calorimetry,heat capacity was calculated and given as:Cp=208.3+0.03583T-4809000T^(−2)(298-923 K)(J mol^(−1)K^(−1)),the high-temperature heat capacity can be used to calculate Gibbs free energy of MgV_(2)O_(6)at high temperatures.

关键词： MgV_(2)O_(6) Crystal structure Phase transitions Thermodynamic functions

Investigation on influence of alloying on Phase transitions of duplex stainless steel based on thermochemical calculation

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China Welding 2023年第4期32卷 11-28页

作者：张志强刘博徐连勇韩永典赵雷曲思成 College of Aeronautical Engineering Civil Aviation University of ChinaTianjin 300300China School of Mechanical and Aerospace Engineering Nanyang Technological UniversitySingapore 639798Singapore School of Materials Science and Engineering Tianjin UniversityTianjin 300072China

This paper investigated on influence of different alloying elements added into duplex stainless steel (DSS) on Phase transitions using thermochemical methods in comparison with experiment.The results showed that the most possible species in the ferrite phase,austenite phase,σphase,Hcp phase,χphase,and carbide were Cr:Va-type,Fe:Va-type,Ni:Cr:Mo-type,Cr_(2)N-type,Fe_(24)Mo_(10)Cr_(24)-type,and Cr:Mo:C-type,respectively.Furthermore,the Ni,N,Cr,and Mo alloying had significant influences on the transition of each DSS phase.The Ni and N additions obviously raised the temperature at ferrite-1/austenite-1 balance while the Cr and Mo decreased the dual-phase balance temperature.In addition,the Ni addition can promote the precipitating ofσphase at relatively high temperature while the precipitating of Hcp phase at relatively low temperature.The Hcp phase andχphase can be obviously increased by the N addition.The introduction of Cr and Mo notably enhances the precipitation ofσphase.However,the promotion ofχphase precipitation is facilitated by the presence of Mo,while the Cr element acts as an inhibitor forχphase precipitation.Furthermore,the ferrite/austenite ratio tested by experiment was higher than that calculated by thermochemical methods,thus pre-designed solution temperature should be lower about 30-100℃than that calculated by thermochemical methods.

关键词： Phase transitions precipitation alloying thermochemistry duplex stainless steel

Phase transitions for Products of Characteristic Polynomials under Dyson Brownian Motion

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Acta Mathematica Sinica,English Series 2021年第3期37卷 509-524页

作者： Peter J.FORRESTER Dang-Zheng LIU ARC Centre of Excellence for Mathematical and Statistical Frontiers School of Mathematics and StatisticsThe University of MelbourneVictoria 3010Australia CAS Key Laboratory of Wu Wen-Tsun Mathematics School of Mathematical SciencesUniversity of Science and Technology of ChinaHefei 230026P.R.China

We study the averaged products of characteristic polynomials for the Gaussian and Laguerre β-ensembles with external source, and prove Pearcey-type Phase transitions for particular full rank perturbations of source. The phases are characterised by determining the explicit functional forms of the scaled limits of the averaged products of characteristic polynomials, which are given as certain multidimensional integrals, with dimension equal to the number of products.

关键词： Random matrices Dyson Brownian motion β-ensembles Phase transitions

Multiscale structures and Phase transitions in metallic glasses：A scattering perspective

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Chinese Physics B 2017年第1期26卷 42-60页

作者：兰司吴桢舵王循理 Department of Physics and Materials Science City University of Hong Kong Kowloon Hong Kong China Herbert Gleiter Institute of Nanoscience Nanjing University of Science and Technology Nanjing 210094 China City University ofHong Kong Shenzhen Research Institute Shenzhen 518057 China

Amorphous materials are ubiquitous and widely used in human society, yet their structures are far from being fully understood. Metallic glasses, a new class of amorphous materials, have attracted a great deal of interests due to their exceptional properties. In recent years, our understanding of metallic glasses increases dramatically, thanks to the development of advanced instrumentation, such as in situ x-ray and neutron scattering. In this article, we provide a brief review of recent progress in study of the structure of metallic glasses. In particular, we will emphasize, from the scattering perspective, the multiscale structures of metallic glasses, i.e., short-to-medium range atomic packing, and Phase transitions in the supercooled liquid region, e.g., crystallization and liquid-to-liquid phase transition. We will also discuss, based on the understanding of their structures and phase stability, the mechanical and magnetic properties of metallic glasses.

关键词： metallic glasses Phase transitions neutron scattering x-ray scattering

Cumulation of a spherically converging shock wave in metals and its dependence on elastic-plastic properties, Phase transitions, spall and shear fractures

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International Journal of Modeling, Simulation, and Scientific Computing 2015年第1期6卷 26-38页

作者： Evgeny A.Kozlov Alexsander V.Petrovtsev Russian Federal Nuclear Center-Zababakhin Research Institute of Technical Physics Snezhinsk Chelyabinsk RegionRussia

Consideration is given to results of experimental and theoretical investigations how alpha-epsilon phase transition in the unalloyed iron and the 30 KhGSA steel and its absence in the austenitic 12Kh18N10T stainless steel influence processes under explosive deformation of spheres made of these materials.Polymorphous transition is shown to significantly effect on:amount of explosion-products energy transferred to a sphere,evolution of the converging-wave structure and its parameters,profiles of stress wave and temperature T(R,t)for some Lagrangian particles along the sphere radius,character of energy cumulation under spherical convergence of waves.

关键词： Cumulation spherically converging shock wave elastic-plastic properties Phase transitions spall and shear fractures

Thermodynamic quantities and Phase transitions of five-dimensional de Sitter hairy spacetime

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Chinese Physics C 2023年第10期47卷 225-236页

作者：李新平张丽春马宇波李怀繁 Department of Physics Shanxi Datong UniversityDatong 037009China Institute of Theoretical Physics Shanxi Datong UniversityDatong 037009China

In this study,we take the mass,electric charge,hair parameter,and cosmological constant of five-dimensional de Sitter hairy spacetime as the state parameters of the thermodynamic system,and when these state parameters satisfy the first law of thermodynamics,the equivalent thermodynamic quantities of spacetime and the Smarr relation of five-dimensional de Sitter hairy spacetime are obtained.Then,we study the thermodynamic characteristics of the spacetime described by these equivalent thermodynamic quantities and find that de Sitter hairy spacetime has a phase transition and critical phenomena similar to those of van de Waals systems or charged AdS black holes.It is shown that the phase transition point of de Sitter hairy spacetime is determined by the ratio of two event horizon positions and the cosmic event horizon position.We discuss the influence of the hair parameter and electric charge on the critical point.We also find that the isochoric heat capacity of the spacetime is not zero,which is consistent with the ordinary thermodynamic system but differs from the isochoric heat capacity of AdS black holes,which is zero.Using the Ehrenfest equations,we prove that the critical phase transition is a second order equilibrium phase transition.Research on the thermodynamic properties of five-dimensional de Sitter hairy spacetime lays a foundation for finding a universal de Sitter spacetime thermodynamic system and studying its thermodynamic properties.Our universe is an asymptotically dS spacetime,and the thermodynamic characteristics of de Sitter hairy spacetime will help us understand the evolution of spacetime and provide a theoretical basis to explore the physical mechanism of the accelerated expansion of the universe.

关键词： thermodynamic quantities Phase transitions de Sitter hairy spacetime

Structures and Phase transitions of ScH_3 under high pressure

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Chinese Physics B 2013年第5期22卷 429-433页

作者：孔博周筑文陈德良令狐荣锋 School of Physics & Electronic Sciences Guizhou Normal College College of Physical Science and Technology Sichuan University

The structures and the Phase transitions of ScH3 under high pressure are investigated using first-principles calcula- tions. The calculated structural parameters at zero pressure agree well with the available experimental data. With increasing pressure, the transition sequence hcp （GdHa-type）→ C2/m →fcc→4hcp （YH3-type）→Cmcm of ScH3 is predicted first; the corresponding transition pressures at 0 K are 23 GPa, 25 GPa, 348 GPa, and 477 GPa, respectively. The C2/m symmetry structure is a possible candidate but not a good one as the intermediate state from hexagonal to cubic in ScH3. On the other hand, via the analysis of the structures of hexagonal SCH2.9, cubic ScH3, and cubic ScH2, we find that the repulsive interactions of H-H atoms must play an important role in the transition from hexagonal to cubic.

关键词： ab-initio calculations Phase transitions high pressure

Characteristics of Phase transitions via intervention in random networks

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Chinese Physics B 2014年第7期23卷 596-600页

作者：贾啸洪劲松杨宏春杨春史晓红胡建全 School of Physical Electronics University of Electronic Science and Technology of China School of Mathematical Science University of Electronic Science and Technology of China

We present a percolation process in which the classical Erdts-Rtnyi （ER） random evolutionary network is intervened by the product rule （PR） from some moment to. The parameter to is continuously tunable over the real interval [0, 1]. This model becomes the random network under the Achlioptas process at to = 0 and the ER network at to = 1. For the percolation process at to≤1, we introduce a relatively slow-growing point, after which the largest cluster begins growing faster than that in the ER model. A weakly discontinuous transition is generated in the percolation process at to ≤ 0.5. We take the relatively slow-growing point as the lower pseudotransition point and the maximum gap point of the order parameter as the upper pseudotransition point. The critical point can be approximately predicted by each fitting function of the two points about to. This contributes to understanding the rapid mergence of the large clusters at the critical point. The numerical simulations indicate that the lower pseudotransition point and the upper pseudotransition point are equal in the thermodynamic limit. When to 〉 0.5, the percolation processes generate a continuous transition. The scaling analyses of several quantities are presented, including the relatively slow-growing point, the duration of the relatively slow-growing process, as well as the relatively maximum strength between the percolation percolation at to 〈 1 and the ER network about different to. The presented mechanism can be viewed as a two-stage percolation process that has many potential applications in the growth processes of real networks.

关键词： percolation Phase transitions networks

Thermal expansion behavior,Phase transitions and some physico-mechanical characteristics of fired doped rice husk silica refractory

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Journal of Advanced Ceramics 2013年第1期2卷 79-86页

作者： Benjamin Iyenagbe UGHEOKE Othman MAMAT B.ARI-WAHJOEDI Department of Mechanical Engineering Universiti Teknologi PETRONASBandar Seri Iskandar 31750TronohPerakMalaysia Department of Fundamental and Applied Sciences Universiti Teknologi PETRONASBandar Seri Iskandar 31750TronohPerakMalaysia

This paper presents the findings on thermal expansion behavior of slaked lime doped rice husk silica(RHS)refractory monitored between 25℃and 1500℃.It also reports the phase transition analysis within the temperature range of 850-1450℃.A sudden expansion of 0.7%noticed at 220℃is due to the transformation ofα-cristobalite toβ-cristobalite.The highest expansion(0.85%)reached within the temperature range of 650-850℃,remains almost constant for the investigated temperature range,and is not high enough to cause macro cracks in the refractory.The phase transition order is similar to those reported for quartzite refractory after 600℃,though the crystallization temperature is lowered due to the presence of the dopant.Modulus of rupture,apparent porosity,bulk density,refractoriness and reheat change are reported and their results meet with the standards qualifying them for use in coke ovens.

关键词： rice husk silica refractory thermal expansion Phase transitions physico-mechanical characteristics