Modification and refinement mechanism of Mg_2Si phase in Sr-containing AZ61-0.7Si magnesium alloy

The effect of Sr on modification and refinement of the Mg 2 Si phase in an AZ61-0.7Si magnesium alloy has been investigated and analyzed.The results indicate that Sr can effectively modify and refine the Chinese-script shaped Mg2Si phase in the AZ61-0.7Si alloy.By adding 0.06wt.%-0.12wt.%Sr to AZ61-0.7Si alloy,the Mg2Si phase in the alloy can be changed from the initial coarse Chinese-script shape to fine granule and/or irregular polygonal shapes.Accordingly,the Sr-containing AZ61-0.7Si alloy exhibits higher tensile and creep properties than the AZ61-0.7Si alloy without Sr modification.The mechanism on modification and refinement of the Mg2Si phase in Sr-containing AZ61-0.7Si alloy is possibly related to the following two aspects:(1)adding Sr may form the Al4Sr phase which can serve as the heterogeneous nucleus for the Mg2Si particles and/or(2)adding Sr may lower the onset crystallizing temperature and increase the undercooling level.

Mechanical properties and electronic structures of MgCu_2, Mg_2Ca and MgZn_2 Laves phases by first principles calculations

Mechanical properties and electronic structure of MgCu2, Mg2 Ca and MgZn2 phases were investigated by means of first principles calculations from CASTEP program based on density functional theory（DFT）. The calculated lattice parameters are in good agreement with the experimental and literature values. The calculated heat of formation and cohesive energies showed that MgCu2 has the strongest alloying ability and structural stability. Elastic constants of MgCu2, Mg2 Ca and MgZn2 were calculated, and the bulk moduli, shear moduli, elastic moduli and Poisson ratio were derived. The calculated results show that MgCu2, Mg2 Ca and MgZn2 are all ductile phases. Among the three phases, MgCu2 has the strongest stiffness and the plasticity of MgZn2 phase is the best. Melting points of the three phases were predicted using cohesive energy and elastic constants. Density of states（DOS）, Mulliken population, electron occupation number and charge density difference were discussed. Finally, Debye temperature was calculated and discussed.

Mg^(2+)掺杂对富锂层状氧化物材料Li_(1.2)Mn_(0.54)Ni_(0.13)Co_(0.13)O_(2)的影响

Mg^(2+)作为一种电化学惰性的阳离子,由于其离子半径(0.072 nm)与Li^(+)的离子半径(0.076 nm)相近,因此被广泛应用于取代富锂层状氧化物(LLOs)材料中Li^(+)的位置。然而,Mg^(2+)对LLOs材料晶体结构的影响还存在争议。利用溶胶凝胶法成功制备了一系列Mg^(2+)掺杂富锂正极材料Li_(1.2-x)Mg_(x)Mn_(0.54)Ni_(0.13)Co_(0.13)O_(2),通过X射线衍射仪和X射线光电子能谱等对其晶体结构和元素价态进行了系统的研究。结果表明,Mg^(2+)掺杂导致LLOs材料晶胞参数的增加。通过与Li_(1.2)Mn_(0.54)Ni_(0.13)Co_(0.13)O_(2)材料的电化学性能对比发现,Mg^(2+)掺杂有效地提高了LLOs材料的电化学性能。经过优化后,Mg-0.03样品展现出最优异的电化学性能,在0.1 C倍率下的初始放电比容量为291.9 mA•h/g,首圈库伦效率为78.40%。

Mg(OH)_(2)对磷酸镁水泥水化过程及性能的影响

磷酸镁水泥(MPC)的镁质原料主要为重烧MgO,由于制备重烧MgO需要高温煅烧,其使用成本和碳排放量过高。氢氧化镁(Mg(OH)_(2))的来源丰富,制取成本低廉且无污染、安全环保,如能大量采用对缓解使用成本和碳排放量过高这一问题具有重要意义。因此,本工作使用Mg(OH)_(2)代替部分重烧MgO,通过X射线衍射、热分析、扫描电镜和能谱分析等测试手段,研究其对MPC工作性能、水化过程、强度发展和微观结构的影响。结果表明,Mg(OH)_(2)的掺入加快了MPC的水化过程,浆体的流动度降低,凝结时间缩短,本工作通过水玻璃热处理改性等缓凝手段改善其工作性能。随着Mg(OH)_(2)的掺入,磷酸镁水泥的水化温度和pH值显著降低,水化28 d后的K-鸟粪石(K-struvite)结晶数量增多,抗压强度随Mg(OH)_(2)含量的增加而降低,当Mg(OH)_(2)掺量在50%以内时,其后期强度下降在15%的范围内,随Mg(OH)_(2)掺量增大,更多的水化产物是由Mg(OH)_(2)反应形成的,当Mg(OH)_(2)掺量为66.6%时,重烧MgO的反应率由平均值22%降低至7%。总而言之,采用大掺量Mg(OH)_(2)制备磷酸镁水泥具有可行性且能确保材料的后期力学性能满足工程应用的要求,对降低磷酸镁水泥使用成本和碳排放具有潜在的应用前景。

Modification effect of lanthanum on primary phase Mg_2Si in Mg-Si alloys

The modifying effect of La addition on primary phase Mg2Si in Mg-5Si alloys was investigated. The results showed that a proper amount of La could effectively modify the primary phase Mg2Si, Based on the present experiment, the optimal modification effect was obtained with an addition of about 0.5 wt.% La. The size of the primary phase MgzSi was considerably reduced to 25μm or less and the morphology was modified from a coarse dendritic shape to a polyhedral shape. However, when the addition of La increased to 0.8 wt.% or higher, the primary Mg2Si grew into a coarse dendritic morphology again. Moreover, it was found that some LaSi2 compounds were formed during solidification and the amount of the compounds appeared to increase gradually with increasing La content.

Modification and refinement effects of Sb and Sr on Mg_(17)Al_(12) and Mg_2Si phases in Mg-12Al-0.7Si alloy

The effects of Sb and Sr on the modification and refinement of Mg17Al12 and Mg2Si phases in Mg- 12Al-0.7Si alloy were investigated and compared. The microstructure and mechanical properties of Mg-12Al0.7Si alloy and its modification mechanism by Sb and Sr were investigated using a scanning electron microscope （SEM）, an energy dispersive spectrometer （EDS）, X-ray diffraction （XRD） and differential thermal analysis （DTA）. The results indicate that by adding 0.5wt.% Sb to the Mg-12Al-0.7Si alloy, the Mg17Al12 phase was refined and broken into some discontinuous island structures. However, some network Mg17Al12 phases still can be detected in Mg-12Al-0.7Si-0.09Sr alloy. Therefore, Sb performs better in modification and refinement of Mg17Al12 phase than does Sr. Small amounts of fine polygonal shaped Mg2Si phases were found in Mg-12AI-0.7Si-0.5Sb alloy, while the morphology of Mg2Si phases in Mg-12Al-0.7Si-0.09Sr alloy changed from the coarse Chinese script shapes to fine granule and irregular polygonal shapes, indicating that the effects of modification and refinement on Mg2Si phase are more significant by adding 0.09wt.% Sr than 0.5wt.% Sb. The ultimate tensile strengths of the Sb and Sr modified Mg-12Al-0.7Si alloys were considerably increased both at room temperature and at 200 ℃.

Rheological behavior of semi-solid Mg_2Si/AM60 magnesium matrix composites at steady state

The microstructure and rheological behavior of semi-solid Mg2Si/AM60 magnesium matrix composite at steady state were investigated.The results show that the primary α-Mg phases are knapped by mechanical stirring and the Chinese script type reinforced Mg2Si phases exist in liquid phase and grain boundary.The analysis of apparent viscosity indicates that the apparent viscosity of semi-solid Mg2Si/AM60 magnesium matrix composite at steady state increases with increasing the volume fraction of Mg2Si and solid fraction of primary α-Mg,but decreases with increasing the shearing rate and shearing time,and the apparent viscosity keeps stable when shearing time reaches 300 s.

Microstructure and corrosion resistance of a Mg2Sn-dispersed Mg alloy subjected to pulsed electron beam treatment

We report that the corrosion resistance of a Mg-Sn-based alloy with MgzSn precipitates can be considerably improved by surface modification using pulsed electron beam treatment.The alloy subjected to a pulse electron beam treatment showed a modified surface layer with a thickness of〜12 μm,appearing more resistant to corrosion attack than the bare surface of the alloy.In 0.6 M NaCl solution,the alloys with and without the surface modification exhibited average corrosion rates of 4.3 and 8.1 mm y^-1,respectively.The improved corrosion resistance was attributed to reduced cathodic activation,resulting from the surficial reduction of relatively noble Mg2Sn precipitates.

Preparation and properties of superfine Mg(OH)_2 flame retardant

Preparation of superfine magnesium hydroxide with the bittern and ammonia was studied. The properties of the products were analyzed by laser granularity, X-ray diffraction, scanning electron microscope, the limiting oxygen index and the wetting angle measurements. The results show that the mean particle size of the magnesium hydroxide is about 230 nm with a platelet shape and the specific surface area is about 48 m2/g when the temperature is 55 ℃ , and the ammonia and bittern are instilled simultaneously during the reaction process. After the modification, the limiting oxygen index and physical chemistry performance of the magnesium hydroxide were examined. The results show that the contact angle of magnesium hydroxide is 132.5? and the limiting oxygen index is 31.5 %, indicating that the modified magnesium hydroxide is an effective flame retardant and can be applied as flame retardant additives of the macromolecule compounds such as plastic, synthetic rubber and synthetic fibre.

Influence of Sb modification on microstructures and mechanical properties of Mg2 Si/AM60 composites

The refining effect and mechanism of Sb on Mg2Si and the microstructure of the matrix were investigated.The results indicate that there are Mg3Sb2 particles in the composites with the addition of Sb,and Mg3Sb2 can promote the formation of fine polygonal type Mg2Si by providing nucleation site.Meanwhile,the grain size of Sb modified alloy is finer than that of the matrix. The improved microstructure results in the improvement of mechanical properties.The ultimate tensile strength is increased by 12.2%with the addition of 0.8%Sb.

Preparation of crystalline Mg(OH)2 nanopowder from serpentinite mineral

In this paper we describe a route to produce crystalline Mg（OH）2 nanopowders from serpentinite ore distributed in the Halilovskiy array （Russia, Orenburg region）. An efficient extraction route consisting of treatment on serpentinite in 40% HNO3 at 80 ℃followed by NH4OH titration for Mg（OH）2 precipitation was demonstrated. In this study, crystalline Mg（OH）2 nanopowders have been synthesized by solvothermal reaction method using （Mg（NO3）2·6H2O） which were obtained from serpentinite, NH4OH as a precipitator, and hydroxyethylated nonylphenol as surface-active substance. Microstructure and phase composition of samples were investigated employing scanning electron microscopy （SEM） and transmission electron microscopy （TEM）, X-ray phase analysis （XRD）, and inductively coupled plasma optical emission spectroscopy （ICP-OES）. XRD reveals that Mg（OH）2 nanopowder with high purity has the brucite structure. It was found that crystalline Mg（OH）2 nanopowders exclusively consist of lamellar-like structures and the sizes of Mg（OH）2 are 30-265 nm length or width.

Assessment of Mg(OH)_(2)/TiO_(2) coating in the Mg-Ca-Zn alloy for improved corrosion resistance and antibacterial performance

The high activity of metallic magnesium and alloys limits its potential in biomedical applications;in recent years,extensive efforts have been devoted to modulating this reactivity.In this work,we present Mg(OH)_(2) and TiO_(2)barrier coatings to reduce the degradation of magnesium alloy(Mg-Ca-Zn)surfaces.These coatings were deposited by the anodization method and the spin-coating technique,respectively.The anodized layer was coated with TiO_(2)generated from the hydrolysis of 3%weight of TTIP(Ti[OCH(CH_(3))_(2)]_(4),Titanium(IV)isopropoxide)in 2-Propanol deposited by the spin-coating method.Studying the degradation in Ringer’s solution by electrochemical impedance spectroscopy and OCP revealed a 98%reduction in pittings in uncoated samples after 14 days of immersion.The p H measurements revealed that the TiO_(2)coating reduced the alkalization of the physiological environment,keeping the pH at 6.0 values.In vitro studies of two types of bacteria(E.coli and S.aureus)exhibited zones of inhibition in the agar and activity bactericidal(kill time test).The mechanisms behind the improved degradation resistance and enhanced antibacterial activity are presented and discussed here.Surface modification with Mg(OH)_(2)/TiO_(2)coatings is a promising strategy to control the biodegradation of magnesium implants for bone regeneration.

Effect of Cu addition on microstructure and properties of Mg-10Zn-5Al-0.1Sb high zinc magnesium alloy

To improve the strength, hardness and heat resistance of Mg-Zn based alloys, the effects of Cu addition on the as-cast microstructure and mechanical properties of Mg-10Zn-5Al-0.1Sb high zinc magnesium alloy were investigated by means of Brinell hardness measurement, scanning electron microscopy （SEM）, energy dispersive spectroscopy （EDS）, XRD and tensile tests at room and elevated temperatures. The results show that the microstructure of as-cast Mg-10Zn-5AI-0.1Sb alloy is composed of α-Mg, τ-Mg32（Al, Zn）49, Ф-Al2MgsZn2 and Mg3Sb2 phases. The morphologies of these phases in the Cu-containing alloys change from semi-continuous long strip to black herringbone as well as particle-like shapes with increasing Cu content. When the addition of Cu is over 1.0wt.%, the formation of a new thermally-stable Mg2Cu phase can be observed. The Brinell hardness, room temperature and elevated temperature strengths firstly increase and then decrease as the Cu content increases. Among the Cucontaining alloys, the alloy with the addition of 2.0wt.% Cu exhibits the optimum mechanical properties. Its hardness and strengths at room and elevated temperatures are 79.35 HB, 190 MPa and 160 MPa, which are increased by 9.65%, 21.1% and 14.3%, respectively compared with those of the Cu-free one. After T6 heat treatment, the strengths at room and elevated temperatures are improved by 20% and 10%, respectively compared with those of the ascast alloy. This research results provide a new way for strengthening of magnesium alloys at room and elevated temperatures, and a method of producing thermally-stable Mg-10Zn-5Al based high zinc magnesium alloys.

Is proton a charge carrier for δ-MnO_(2) cathode in aqueous rechargeable magnesium-ion batteries?

Manganese dioxide(MnO_(2)) is considered as a potential cathode material for aqueous magnesium-ion batteries. However, the charge/discharge mechanism of MnO_(2)in aqueous electrolyte is still unclear. In present study, highly porous δ-MnO_(2) is investigated, which delivers a high capacity of 252.1 m Ah g^(-1) at 0.05 A g^(-1) and excellent rate capability, i.e., 109.7 m Ah g^(-1) at 1 A g^(-1), but a low-capacity retention of 54.4% after 800 cycles at 1 A g^(-1). The two-step discharging process, namely a consequent H^(+) and Mg^(2+) insertion reaction, is verified, by comparing the electrochemical performance of δ-MnO_(2) in 1 M MgCl_(2) and 1 M MnCl_(2) aqueous electrolyte and analyzing detailedly the Mg content and the bonding state of Mn at different charge/discharge state. Furthermore, partial irreversibility of Mg^(-1) ion insertion/extraction is observed, which may be one of the major reasons leading to capacity decay.

Facile fabrication of spherical flower-like Mg(OH)2 and its fast and efficient removal for heavy metal ions

Spherical flower-like Mg(OH)_(2) was fabricated from MgSO_(4) effluent and its adsorption performance for heavy metal ions was evaluated.The appropriate fabrication conditions are as follows:Mg^(2+)/NH4OH molar ratio of 1:0.5,temperature of 120°C and time of 1 h at Mg^(2+)concentration of 2 mol/L.Spherical flower-like Mg(OH)_(2) composed of ultra-thin sheets exhibits an excellent adsorption ability for Ni^(2+),Cu^(2+),Zn^(2+),Pb^(2+),Fe^(3+)and Co^(2+),and the adsorption reaches the equilibrium in 6 min.The maximum adsorption capacities of the studied heavy metal ions onto Mg(OH)_(2) at 20°C are 58.55,85.84,44.94,485.44,625.00 and 27.86 mg/g,respectively.The adsorption is well fitted by the Langmuir model,indicating that the adsorption is monolayer.The adsorption kinetics follows the pseudo-second-order model.Chemisorption is the operative mechanism.Spherical flower-like Mg(OH)_(2) is a qualified candidate for heavy metal ions removal.

Shape controllable synthesis and enhanced upconversion photoluminescence ofβ-NaGdF4:Yb^3+,Er^3+nanocrystals by introducing Mg(^2+)

Different concentrations of Mg^（2＋） -doped hexagonal phase NaGdF_4：Yb^（3＋）, Er^（3＋）nanocrystals（NCs） were synthesized by a modified solvothermal method. Successful codoping of Mg^（2＋）ions in upconversion nanoparticles（UCNPs） was supported by XRD, SEM, EDS, and PL analyses. The effects of Mg^（2＋）doping on the morphology and the intensity of the upconversion（UC） emission were discussed in detail. It turned out that with the concentration of Mg^（2＋）increasing, the morphology of the nanoparticles turn to change gradually and the UC emission was increasing gradually as well. Notably the UC fluorescence intensities of Er^（3＋）were gradually improved owing to the codoped Mg^（2＋）and then achieved a maximum level as the concentration of Mg^（2＋）ions was 60 mol% from the amendment of the crystal structure of β-NaGdF_4：Yb^（3＋）,Er^（3＋）nanoparticles. Moreover, the UC luminescence properties of the rare-earth（Yb3＋, Er^（3＋）） ions codoped NaGdF_4 nanocrystals were investigated in detail under 980-nm excitation.

Solvation Structure and Dynamics of Mg(TFSI)_(2) Aqueous Electrolyte

Using ab initio molecular dynamics(AIMD)simulations,classical molecular dynamics(CMD)simulations,small-angle X-ray scattering(SAXS),and pulsed-field gradient nuclear magnetic resonance(PFG-NMR),the solvation structure and ion dynamics of magnesium bis(trifluoromethanesulfonyl)imide(Mg(TFSI)_(2))aqueous electrolyte at 1,2,and 3 m concentrations are investigated.From AIMD and CMD simulations,the first solvation shell of an Mg;ion is found to be composed of six water molecules in an octahedral configuration and the solvation shell is rather rigid.The TFSI^(-)ions prefer to stay in the second solvation shell and beyond.Meanwhile,the comparable diffusion coefficients of positive and negative ions in Mg(TFSI)_(2)aqueous electrolytes have been observed,which is mainly due to the formation of the stable[Mg(H_(2)O_(6))_(2)]^(+)complex,and,as a result,the increased effective Mg ion size.Finally,the calculated correlated transference numbers are lower than the uncorrelated ones even at the low concentration of 2 and 3 m,suggesting the enhanced correlations between ions in the multivalent electrolytes.This work provides a molecular-level understanding of how the solvation structure and multivalency of the ion affect the dynamics and transport properties of the multivalent electrolyte,providing insight for rational designs of electrolytes for improved ion transport properties.

Adsorption equilibrium, kinetics, and dynamic separation of Ca2+ and Mg2+ ions from phosphoric acid–nitric acid aqueous solution by strong acid cation resin

The separation of Ca2+and Mg2+ions from phosphoric acid-nitric acid aqueous solution is very significant for the neutralization process of nitrophosphate fertilizer.This paper studied the adsorption equilibrium,kinetics,and dynamic separation of Ca2+and Mg2+ions by strong acid cation resin,and the effects of phosphoric acid and nitric acid on the adsorption process were investigated.The results reveal that the adsorption process of Ca2+and Mg2+ions in pure water on resin is in good agreement with the Langmuir isotherm model and their maximal adsorption capacities are 1.86 mmol·g-1 and 1.83 mmol·g-1,respectively.The adsorption kinetics of Ca2+and Mg2+ions on resin fits better with the pseudo-first-order model,and the adsorption equilibrium in pure water is reached within 10 min contact time,while at the present of phosphoric acid,the adsorption rate of Ca2+and Mg2+ions on resin will go down.The dynamic separation experiments demonstrate that the designed column adsorption is able to undertake the separation of metal ions from the mix acids aqueous solution,but the dynamic operation should control the flow rate of mix acid solution.Besides nitric acid solution was proved to be effective to completely regenerate the spent resin and achieve the recyclable operation of separation process.

Effects of Mg2+ on the binding of the CREB/CRE complex:Full-atom molecular dynamics simulations

Metal ions play critical roles in the interaction between deoxyribonucleic acid(DNA) and protein.The experimental research has demonstrated that the Mg^2+ ion can affect the binding between transcription factor and DNA.In our work,by full-atom molecular dynamic simulation, the effects of the Mg^2+ ion on the cyclic adenosine monophosphate(cAMP)response element binding protein(CREB)/cAMP response elements(CRE) complex are investigated.It is illustrated that the number of hydrogen bonds formed at the interface between protein and DNA is significantly increased when the Mg^2+ ion is added.Hence, an obvious change in the structure of the DNA is observed.Then the DNA base groove and base pair parameters are analyzed.We find that, due to the introduction of the Mg2+ ion, the DNA base major groove becomes narrower.A potential mechanism for this observation is proposed.It is confirmed that the Mg^2+ ion can enhance the stability of the DNA–protein complex.

Synthesis and electrochemical performance of Li_2Mg_(0.15)Mn_(0.4)Co_(0.45)SiO_4/C cathode material for lithium ion batteries

The synthesis, structure and performance of Li2Mg0.15Mn0.4Co0.45SiO4/C cathode material were studied. The Li2Mg0.15Mn0.4Co0.45SiO4/C solid solution with orthorhombic unit cell （space group Pmn21） was synthesized successfully by combination of wet process and solid-state reaction at high temperature, and its electrochemical performance was investigated primarily. Li2Mg0.15Mn0.4Co0.45SiO4/C composite materials deliver a charge capacity of 302 mA-h/g and a discharge capacity of 171 mA.h/g in the first cycle. The discharge capacity is stabilized at about 100 mA-h/g after 10 cycles at a current density of 10 mA/g in the voltage of 1.5-4.8 V vs Li/Li^＋. The results show that Mg-substitution for the Co ions in Li2Mn0.4Co0.6SiO4 improves the stabilization of initial structure and the electrochemical nerformance.