Integrated multi-scale approach combining global homogenization and local refinement for multi-field analysis of high-temperature superconducting composite magnets

Second-generation high-temperature superconducting(HTS)conductors,specifically rare earth-barium-copper-oxide(REBCO)coated conductor(CC)tapes,are promising candidates for high-energy and high-field superconducting applications.With respect to epoxy-impregnated REBCO composite magnets that comprise multilayer components,the thermomechanical characteristics of each component differ considerably under extremely low temperatures and strong electromagnetic fields.Traditional numerical models include homogenized orthotropic models,which simplify overall field calculation but miss detailed multi-physics aspects,and full refinement(FR)ones that are thorough but computationally demanding.Herein,we propose an extended multi-scale approach for analyzing the multi-field characteristics of an epoxy-impregnated composite magnet assembled by HTS pancake coils.This approach combines a global homogenization(GH)scheme based on the homogenized electromagnetic T-A model,a method for solving Maxwell's equations for superconducting materials based on the current vector potential T and the magnetic field vector potential A,and a homogenized orthotropic thermoelastic model to assess the electromagnetic and thermoelastic properties at the macroscopic scale.We then identify“dangerous regions”at the macroscopic scale and obtain finer details using a local refinement(LR)scheme to capture the responses of each component material in the HTS composite tapes at the mesoscopic scale.The results of the present GH-LR multi-scale approach agree well with those of the FR scheme and the experimental data in the literature,indicating that the present approach is accurate and efficient.The proposed GH-LR multi-scale approach can serve as a valuable tool for evaluating the risk of failure in large-scale HTS composite magnets.

Comparison of the interface reaction behaviors of CaO–V_(2)O_(5) and MnO_(2)–V_(2)O_(5) solid-state systems based on the diffusion couple method

The formation mechanism of calcium vanadate and manganese vanadate and the difference between calcium and manganese in the reaction with vanadium are basic issues in the calcification roasting and manganese roasting process with vanadium slag.In this work,CaO–V_(2)O_(5) and MnO_(2)–V_(2)O_(5) diffusion couples were prepared and roasted for different time periods to illustrate and compare the diffusion reaction mechanisms.Then,the changes in the diffusion product and diffusion coefficient were investigated and calculated based on scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDS) analysis.Results show that with the extension of the roasting time,the diffusion reaction gradually proceeds among the CaO–V_(2)O_(5) and MnO_(2)–V_(2)O_(5) diffusion couples.The regional boundaries of calcium and vanadium are easily identifiable for the CaO–V_(2)O_(5) diffusion couple.Meanwhile,for the MnO_(2)–V_(2)O_(5) diffusion couple,MnO_(2) gradually decomposes to form Mn_(2)O_(3),and vanadium diffuses into the interior of Mn_(2)O_(3).Only a part of vanadium combines with manganese to form the diffusion production layer.CaV_(2)O_(6) and MnV_(2)O_(6) are the interfacial reaction products of the CaO–V_(2)O_(5) and MnO_(2)–V_(2)O_(5) diffusion couples,respectively,whose thicknesses are 39.85 and 32.13μm when roasted for 16 h.After 16 h,both diffusion couples reach the reaction equilibrium due to the limitation of diffusion.The diffusion coefficient of the CaO–V_(2)O_(5) diffusion couple is higher than that of the MnO_(2)–V_(2)O_(5) diffusion couple for the same roasting time,and the diffusion reaction between vanadium and calcium is easier than that between vanadium and manganese.

Strontium ferrite powders prepared from oily cold rolling mill sludge by solid-state reaction method

Oily cold rolling mill （CRM） sludge is one of the pollutants emitted by iron and steel plants. Recycling oily CRM sludge can not only reduce pollution but also bring social and environmental benefits. In this study, using oily CRM sludge as sources of iron oxide, the strontium ferrite powders were synthesized in multiple steps including vacuum distillation, magnetic separation, oxidizing roasting, and solidstate reaction. The optimal technological conditions of vacuum distillation and oxidizing roasting were studied carefully. To consider the effects of Fe203/ SrCO3 tool ratio, calcination temperature, milling time and calcination time on magnetic properties of prepared strontium ferrite powders, the orthogonal experimental method was adopted. The maximum saturation magneti- zation （62.6 mA-m2.g-1） of the synthesized strontium ferrite powders was achieved at the Fe203/SrCO3 mol ratio of 6, 5 h milling time, 1250 ~C calcination temperature, and 1 h calcination time. Strontium ferrite powders syn- thesis method not only provides a cheap, high quality raw material for the production of strontium ferrite powders, but also effectively prevents the environmental pollution.

Preparation of Li[Ni_(1/3)Co_(1/3)Mn_(1/3)]O_2 powders for cathode material in secondary battery by solid-state method

Employing Li2CO3, NiO, Co3O4, and MnCO3 powders as starting materials, Li[Ni1/3Co1/3Mn1/3]O2 was synthesized by solid-state reaction method. Various grinding aids were applied during milling in order to optimize the synthesis process. After successive heat treatments at 650 and 950 ℃, the prepared powders were characterized by X-ray diffraction (XRD) analysis, scanning electron microscopy, and transmission electron microscopy. The powders prepared by adding salt (NaCl) as grinding aid exhibit a clear R3m layer structure. The powders by other grinding aids like heptane show some impurity peaks in the XRD pattern. The former powders show a uniform particle size distribution of less than 1 μm average size while the latter shows a wide distribution ranging from 1 to 10 μm. Energy dispersive X-ray (EDX) analysiss show that the ratio of Ni, Co, and Mn content in the powder is approximately 1/3, 1/3, and 1/3, respecively. The EDX data indicate no incorporation of sodium or chlorine into the powders. Charge-discharge tests gave an initial discharge capacity of 160 mAh·g-1 for the powders with NaCl addition while 70 mAh·g-1 for the powders with heptane.

Analysis on high-temperature oxidation and growth stress of iron-based alloy using phase field method

High-temperature oxidation is an important property to evaluate thermal protection materials. However, since oxidation is a complex process involving microstructure evolution, its quantitative analysis has always been a challenge. In this work, a phase field method （PFM） based on the thermodynamics theory is developed to simulate the oxidation behavior and oxidation induced growth stress. It involves microstructure evolution and solves the problem of quantitatively computational analysis for the oxidation behavior and growth stress. Employing this method, the diffusion process, oxidation performance, and stress evolution axe predicted for Fe-Cr-A1-Y alloys. The numerical results agree well with the experimental data. The linear relationship between the maximum growth stress and the environment oxygen concentration is found. PFM provides a powerful tool to investigate high-temperature oxidation in complex environments.

A Hybrid Backward Euler Control Volume Method to Solve the Concentration-Dependent Solid-State Diffusion Problem in Battery Modeling

Several efficient analytical methods have been developed to solve the solid-state diffusion problem, for constant diffusion coefficient problems. However, these methods cannot be applied for concentration-dependent diffusion coefficient problems and numerical methods are used instead. Herein, grid-based numerical methods derived from the control volume discretization are presented to resolve the characteristic nonlinear system of partial differential equations. A novel hybrid backward Euler control volume (HBECV) method is presented which requires only one iteration to reach an implicit solution. The HBECV results are shown to be stable and accurate for a moderate number of grid points. The computational speed and accuracy of the HBECV, justify its use in battery simulations, in which the solid-state diffusion coefficient is a strong function of the concentration.

Dissolution-precipitation mechanism of self-propagating high-temperature synthesis of TiC-Cu cermets

The mechanism of self-propagating high-temperature synthesis （SHS） of TiC-Cu cermets was studied using a combustion front quenching method. Microstructural evolution in the quenched sample was observed using scanning electron microscope （SEM） with energy dispersive X-ray （EDX） spectrometry, and the combustion temperature was measured. The results showed that the combustion reaction started with local formation of Ti-Cu melt and could be described with the dissolution-precipitation mechanism, namely, Ti, Cu, and C particles dissolved into the Ti-Cu solution and TiC particles precipitated in the saturated Ti-Cu-C liquid solution. The local formation of Ti-Cu melt resulted from the solid diffusion between Ti and Cu particles.

The effect of agglomerate on micro-structural evolution in solid-state sintering

Discrete element method （DEM） is used in the present paper to simulate the microstructural evolution of a planar layer of copper particles during sintering. Formation of agglomerates and the effect of their rearrangement on densification are mainly focused on. Comparing to the existing experimental observations, we find that agglomerate can form spontaneously in sintering and its rearrangement could accelerate the densification of compacts. Snapshots of numerical simulations agree qualitatively well with experimental observations. The method could be readily extended to investigate the effect of agglomerate on sintering in a three- dimensional model, which should be very useful for understanding the evolution of microstructure of sintering systems.

First Principle Material Genome Approach for All Solid-State Batteries

Due to ever-increasing concern about safety issues in using alkali metal ionic batteries, all solid-state batteries (ASSBs) have attracted tremendous attention. The foundation to enable high-performance ASSBs lies in delivering ultra-fast ionic conductors that are compatible with both alkali anodes and high-voltage cathodes. Such a challenging task cannot be fulfilled, without solid understanding covering materials stability and properties, interfacial reactions, structural integrity, and electrochemical windows. Here in this work, we will review recent advances on fundamental modeling in the framework of material genome initiative based on the density functional theory (DFT), focusing on solid alkali batteries. Efforts are made in offering a dependable road chart to formulate competitive materials and construct "better" batteries.

Spatial Distribution of High-temperature Risk with a Return Period of Different Years in the Yangtze River Delta Urban Agglomeration

Against the background of global warming,research on the spatial distribution of high-temperature risk is of great significance to effectively prevent the adverse effects of high temperatures.By using air temperature data from 1951 to 2018 measured by meteorological stations located in the Yangtze River Delta urban agglomeration,the daily maximum air temperature distribution is interpolated at a resolution of 1 km based on the local thin disk smooth spline function;the high-temperature threshold for return periods of 5,10,20 and 30 yr are then calculated by using the generalized extreme value method.The yearly average high-temperature intensity and high-temperature days are finally calculated as high-temperature danger factors.Socioeconomic statistical data and remotely sensed image data in 2018 are used as the background data to calculate the spatial distribution of high-temperature vulnerability factors and prevention capacity factors,which are then used to compute the high-temperature risk index during different recurrence periods in the Yangtze River Delta urban agglomerations.The results show that the spatial distribution features of high-temperature risk in different return periods are similar.The high-temperature risk index gradually increases from northeast to southwest and from east coast to inland,which has obvious latitude variation characteristics and a relationship with the comprehensive influence of the underlying surface and urban scale.In terms of time variation,the high-temperature risk index and its spatial distribution difference gradually decreases with increasing return period.In different cities,the high-temperature risk in the central area of the city is generally higher than that in the surrounding suburban areas.Jinhua,Hangzhou of Zhejiang Province and Xuancheng of Anhui Province are the top three cities with high-temperature risk in the study area.

Correlated-Electron Systems and High-Temperature Superconductivity

We present recent theoretical results on superconductivity in correlated-electron systems, especially in the two-dimensional Hubbard model and the three-band d-p model. The mechanism of superconductivity in high-temperature superconductors has been extensively studied on the basis of various electronic models and also electron-phonon models. In this study, we investigate the properties of superconductivity in correlated-electron systems by using numerical methods such as the variational Monte Carlo method and the quantum Monte Carlomethod. The Hubbard model is one of basic models for strongly correlated electron systems, and is regarded as the model of cuprate high temperature superconductors. The d-p model is more realistic model for cuprates. The superconducting condensation energy obtained by adopting the Gutzwiller ansatz is in reasonable agreement with the condensation energy estimated for YBa2Cu3O7. We show the phase diagram of the ground state using this method. We have further investigated the stability of striped and checkerboard states in the under-doped region. Holes doped in a half-filled square lattice lead to an incommensurate spin and charge density wave. The relationship of the hole density x and incommensurability δ, δ~x, is satisfied in the lower doping region, as indicated by the variationalMonte Carlocalculations for the two-dimensional Hubbard model. A checkerboard-like charge-density modulation with a roughly period has also been observed by scanning tunneling microscopy experiments in Bi2212 and Na-CCOC compounds. We have performed a variational Monte Carlo simulation on a two-dimensional t-t′-t″- U Hubbard model with a Bi-2212 type band structure and found that the period checkerboard spin modulation, that is characterized by multi Q vectors, is indeed stabilized. We have further performed an investigation by using a quantumMonte Carlomethod, which is a numerical method that can be used to simulate the behavior of correlated electron systems. We present a new algorithm of the quantum Monte Carlo diagonalization that is a method for the evaluation of expectation value without the negative sign problem. We compute pair correlation functions and show that pair correlation is indeed enhanced with hole doping.

Fabrication of YAG:Ce^(3+) and YAG:Ce^(3+),Sc^(3+) Phosphors by Spark Plasma Sintering Technique

In this study,a single-doped phosphors yttrium aluminum garnet(Y_(3)Al_(5)O_(12),YAG):Ce^(3+),single-doped YAG:Sc^(3+),and double-doped phosphors YAG:Ce^(3+),Sc^(3+) were prepared by spark plasma sintering(SPS)(lower than 1 200℃).The characteristics of synthesized phosphors were determined using scanning electron microscopy(SEM),X-ray diffraction(XRD),and fluorescence spectroscopy.During SPS,the lattice structure of YAG was maintained by the added Ce^(3+) and Sc^(3+).The emission wavelength of YAG:Ce^(3+) prepared from SPS(425-700 nm) was wider compared to that of YAG:Ce^(3+) prepared from high-temperature solid-state reaction(HSSR)(500-700 nm).The incorporation of low-dose Sc^(3+) in YAG:Ce^(3+) moved the emission peak towards the short wavelength.

AN ENERGY-STABLE PARAMETRICFINITE ELEMENT METHOD FOR SIMULATING SOLID-STATE DEWETTING PROBLEMS INTHREE DIMENSIONS

We propose an accurate and energy-stable parametric finite element method for solving the sharp-interface continuum model of solid-state dewetting in three-dimensional space.The model describes the motion of the film/vapor interface with contact line migration and is governed by the surface diffusion equation with proper boundary conditions at the contact line.We present a weak formulation for the problem,in which the contact angle condition is weakly enforced.By using piecewise linear elements in space and backward Euler method in time,we then discretize the formulation to obtain a parametric finite element approximation,where the interface and its contact line are evolved simultaneously.The resulting numerical method is shown to be well-posed and unconditionally energystable.Furthermore,the numerical method is generalized to the case of anisotropic surface energies in the Riemannian metric form.Numerical results are reported to show the convergence and efficiency of the proposed numerical method as well as the anisotropic effects on the morphological evolution of thin films in solid-state dewetting.

Preparation of BaCe_(0.5)Zr_(0.4)Y_(0.1)O_(3-α) by Sol-Gel Method and Its Electrical Properties

A precursor of BaCe0.5Zr0.4Y0. 1O3-α electrolytes was synthesized by the sol-gel method and sintered at temperature which were 150 - 250 ℃ lower than by solid state reaction. The AC impedance spectrums of electrolytes were measured by AUTOLAB PGSTA30 electrochemical measuring device at different temperatures. The conductivities of the electrolytes are 1.62×10^-4 - 6.43×10^-3, 2.52×10^-5 - 3.73×10^-3S·cm^-1 in the temperature range of 350-800℃. The activity energies are 0.54 and 0.84 eV. At the same time BaCe0.9Y0.1O3-α was prepared by direct solid state reaction. The conductivity of BaCe0.9Y0.1O3-α is 1 × 10^-4- 4×10^-3 S·cm^-1 and the activation energy is 0.50 eV at the same condition. The results show that conduction of electrolyte prepared by sol-gel method is higher than the one by solid state reaction. As far as BaCe0.9Y0.1O3-α concerned, its conductivity of the Zr-substituted specimens is decreased.

A review of ^(17)O isotopic labeling techniques for solid-state NMR structural studies of metal oxides in lithium-ion batteries

Recent advances in utilizing ^(17)O isotopic labeling methods for solid-state nuclear magnetic resonance(NMR)investigations of metal oxides for lithium-ion batteries have yielded extensive insights into their structural and dynamic details.Herein,we commence with a brief introduction to recent research on lithium-ion battery oxide materials studied using ^(17)O solid-state NMR spectroscopy.Then we delve into a review of ^(17)O isotopic labeling methods for tagging oxygen sites in both the bulk and surfaces of metal oxides.At last,the unresolved problems and the future research directions for advancing the ^(17)O labeling technique are discussed.

Preparation and characterization of continuous high-temperature resistant Si-Al-C fibers by one-step method

Using polymer-derived technology, continuous high-temperature resistant Si-Al-C fibers were prepared by one step method, which included melt-spinning of polya-luminocarbosilane (PACS), curing of continuous PACS fibers, and sintering of the cured products. The results show that the average diameter and tensile strength of continuous Si-Al-C fibers are 11 to 12 μm and 1.8 to 2.0 GPa, respectively. The chemical formula of Si-Al-C fibers is SiC1.01O0.0400Al0.024, which is nearly stoichometric. The fibers are mainly composed of β-SiC crystalline, small amount of α-SiC, and amorphous SiC. Continuous Si-Al-C fibers exhibit excellent thermal stability. When the fibers were exposed in argon for 1 h, the tensile strength did not decrease until 1500℃. After heat treatment at 1800℃ in argon for 1 h, the fibers maintained about 80% of the initial strength. It was higher than that of Nicalon and Hi-Nicalon fibers.

Study of Sm_(0.2)Ce_(0.8)O_(1.9)(SDC) electrolyte prepared by a simple modified solid-state method

Sm0.2Ce0.8O1.9 （SDC） electrolyte was prepared by a modified solid state method at relatively low sintering temperatures without any sintering promoters. The phase composition and microstructure of the electrolytes were investigated by X-ray diffraction （XRD） and field emission scanning electron microscopy （FESEM） technologies. A relative density of SDC electrolyte sintered at 1300 ℃ reached 97.3%and the mean SDC grain size was about 770 nm. Their ionic conductivity and thermal expansion coefficient were also measured by electrochemical workstation and dilatometer. The electrolyte attained a high conductivity of 5×10^-2 S/cm at 800 ℃ with an activation energy of 1.03 eV and a proper thermal expansion coefficient of 12.6×10^-6 K^-1.

Thermal Performances of High-Temperature Thermal Energy Storage System with Tin Embedded in Copper Matrix by Theoretical Methods

There is a critical need to develop advanced high-temperature thermal storage systems to improve efficiencies and reduce the costs of solar thermal storage system.In this work,two typical systems composed with Cu as matrix and Sn as the phase change material(PCM)are explored,namely,the 3-deimentional(3D)structure system by embedding Sn particles into Cu matrix and the 2-deimentional(2D)structure system by embedding Sn wires into Cu matrix.Given the thermophysical properties of a nanomaterial could be importantly different from that of a bulk one,we thus firstly derive the thermophysical properties of PCM and matrix theoretically,like the thermal conductivity by kinetic method and the specific heat capacity based on Lindemann’s criterion.And then,these properties are utilized to estimate the energy storage ability in both 3D and 2D structure system,and the influence of structure on heat transfer efficiency is theoretically investigated in both 3D and 2D structure system.Results turn out that 3D structure system is a better choice than a 2D structure system,because of larger specific surface area,a larger sensitive heat capacity and a larger thermal conductivity.When the feature size of the PCM decreases to be less than a critical value which is about 500 nm for Sn,the thermal conductivity of the system decreases exponentially while the heat storage capacity increases lineally.Moreover,when the feature size of Sn geometry is less than a critical value,which is 15 nm for 3D structure system and 25 nm for 2D structure,the Cu matrix can’t play a role in improving the effective thermal conductivity of the whole system.

Research on charge ordering and magnetic properties in La_(0.3)Ca_(0.7)Mn_(1-x)W_xO_3 system

The perovskite manganite sample La0.3Ca0.7Mn1-xWxO3 （x = 0.08, 0.12） was prepared by the solid-state reaction method. The effect of W doping on the Mn site to La0.3Ca0.7MnO3 charge ordering phase and the changing process of magnetic properties were studied through the measurement of the M-T curve, M-H curves, and ESR curves of the sample. The results showed that when x = 0.08, the charge ordering （CO） phase exists in the system, the transition temperature Tco= 275 K, and the system exhibits PM when T 〉 275 K. The system transforms from spin-disordering paramagnetism to spin-ordering antiferromagnetism in the charge ordering state with the temperature decreasing from 275 K to 230 K. The long-range antiferromagnetism forms and AFM/CO states coexist between 230 K and 5 K. There is a little ferromagnetic component in the AFM/CO background in a low temperature range. When x = 0.12, the CO phase in the system has almost melted completely. There is a little remnant of the CO phase below 150 K. The system exhibits paramagnetism when T 〉 150 K and transforms from paramagnetism to ferromagnetism when T〈 150 K.

Preparation and Characterization of W-Type Hexaferrite Doped with La^(3+)

A series of W-type ferrites with the composition ofBal-xLaxCo2Fe16O27（where, x =0.0, 0.05, 0.10, 0.15, 0.20 and 0.25） were prepared by solid-state reaction method. The structure transformations of the ferrites were examined by XRD, DTA-TG and XPS, and the microwave-absorbing properties were investigated by evaluating the permeability and permittivity of materials（μτ,ετ, ）. The results showed that the phase-transition temperature increased with the addition of La^3＋ content, and a single-phase was formed at 1250℃ at last. Microwave properties were obviously improved as a result of the substitution of La^3＋ for Ba^2＋ at the frequency range of 0.5 - 18.0 GHz.