High-throughput calculations combining machine learning to investigate the corrosion properties of binary Mg alloys

Magnesium(Mg)alloys have shown great prospects as both structural and biomedical materials,while poor corrosion resistance limits their further application.In this work,to avoid the time-consuming and laborious experiment trial,a high-throughput computational strategy based on first-principles calculations is designed for screening corrosion-resistant binary Mg alloy with intermetallics,from both the thermodynamic and kinetic perspectives.The stable binary Mg intermetallics with low equilibrium potential difference with respect to the Mg matrix are firstly identified.Then,the hydrogen adsorption energies on the surfaces of these Mg intermetallics are calculated,and the corrosion exchange current density is further calculated by a hydrogen evolution reaction(HER)kinetic model.Several intermetallics,e.g.Y_(3)Mg,Y_(2)Mg and La_(5)Mg,are identified to be promising intermetallics which might effectively hinder the cathodic HER.Furthermore,machine learning(ML)models are developed to predict Mg intermetallics with proper hydrogen adsorption energy employing work function(W_(f))and weighted first ionization energy(WFIE).The generalization of the ML models is tested on five new binary Mg intermetallics with the average root mean square error(RMSE)of 0.11 eV.This study not only predicts some promising binary Mg intermetallics which may suppress the galvanic corrosion,but also provides a high-throughput screening strategy and ML models for the design of corrosion-resistant alloy,which can be extended to ternary Mg alloys or other alloy systems.

Impact of scandium and terbium on the mechanical properties,corrosion behavior,and biocompatibility of biodegradable Mg-Zn-Zr-Mn alloys

Magnesium(Mg)-based bone implants degrade rapidly in the physiological environment of the human body which affects their structural integrity and biocompatibility before adequate bone repair.Rare earth elements(REEs)have demonstrated their effectiveness in tailoring the corrosion and mechanical behavior of Mg alloys.This study methodically investigated the impacts of scandium(Sc)and terbium(Tb)in tailoring the corrosion resistance,mechanical properties,and biocompatibility of Mg–0.5Zn–0.35Zr–0.15Mn(MZZM)alloys fabricated via casting and hot extrusion.Results indicate that addition of Sc and Tb improved the strength of MZZM alloys via grain size reduction and solid solution strengthening mechanisms.The extruded MZZM–(1–2)Sc–(1–2)Tb(wt.%)alloys exhibit compressive strengths within the range of 336–405 MPa,surpassing the minimum required strength of 200 MPa for bone implants by a significant margin.Potentiodynamic polarization tests revealed low corrosion rates of as–cast MZZM(0.25 mm/y),MZZM–2Tb(0.45 mm/y),MZZM–1Sc–1Tb(0.18 mm/y),and MZZM–1Sc–2Tb(0.64 mm/y),and extruded MZZM(0.17 mm/y),MZZM–1Sc(0.15 mm/y),MZZM-2Sc(0.45 mm/y),MZZM-1Tb(0.17 mm/y),MZZM-2Tb(0.10 mm/y),MZZM–1Sc-1Tb(0.14 mm/y),MZZM-1Sc-2Tb(0.40 mm/y),and MZZM–2Sc–2Tb(0.51 mm/y)alloys,which were found lower compared to corrosion rate of high-purity Mg(~1.0 mm/y)reported in the literature.Furthermore,addition of Sc,or Tb,or Sc and Tb to MZZM alloys did not adversely affect the viability of SaOS2 cells,but enhanced their initial cell attachment,proliferation,and spreading shown via polygonal shapes and filipodia.This study emphasizes the benefits of incorporating Sc and Tb elements in MZZM alloys,as they effectively enhance corrosion resistance,mechanical properties,and biocompatibility simultaneously.

Influence of Sr on microstructure evolution,mechanical and corrosion properties of extruded Mg-2Zn-0.5Ca alloy

Degradable Mg-Zn-Ca alloys with Sr addition were prepared by vacuum melting and hot extrusion.Effect of Sr on microstructure,mechanical and corrosion properties of hot extruded Mg-2Zn-0.5Ca-xSr(x=0,0.5,1.0)alloys was investigated.The results show that Sr addition into Mg-2Zn-0.5Ca alloys produced significant grain refinement in ingots and obvious texture weakening effects in extruded bars.The ultimate compressive strength increased as the Sr content increased,while the ultimate tensile strength increased firstly and then declined with the increasing of Sr content.Electrochemical tests indicated the corrosion current density of the surface parallel to extrusion direction(ED)was much lower than that of the surface perpendicular to ED.In-vitro immersion tests demonstrated the increase in the pH of solution and weight loss of Mg-2Zn-0.5Ca-0.5Sr alloy remain the lowest during immersion tests.The best comprehensive property was obtained in Mg-2Zn-0.5Ca-0.5Sr alloy,which has the largest strength and the best corrosion resistance.

Microstructures,corrosion and mechanical properties of as-cast Mg-Zn-Y-(Gd)alloys

Long period stacking ordered（LPSO） structure phases were prepared by conventional solidification method in Mg（94）Zn3YxGd（3-x）（x=3,2,1.5,1,mole fraction） alloys,the microstructures,corrosion and compressive mechanical properties of which were investigated,separately.The results reveal that the microstructures of the as-cast Mg（94）Zn3YxGd（3-x） alloys,with n（Zn）/n（Y＋Gd）=1：1,consist of α（Mg） phase,Mg3Zn3RE2（W） phase,Mg（12）ZnRE（14H-LPSO） phase and a few bright cube-shaped Mg-Y-Gd phases.The formation and the distribution of LPSO-phase in the alloys can be influenced by the content of Gd.The volume fraction of 14H-LPSO phase increases first and then decreases with the increase of the Gd content.For the electrochemical impedance spectroscopy（EIS） measurement,a R（Q（R（QR））） model was used to fit the test results in 3.5%（mass fraction） NaCl solution at room temperature.The corrosion current densities of all samples are about 10-（-5） A/cm-2.When x（Gd）≤1%,Mg-Zn-Y-（Gd）alloy shows good corrosion resistance,which is better than that of the commercial AZ91 D magnesium alloy.The corrosion rate increases when the Gd content is higher than 1.5%.At room temperature,the compressive properties of Mg-Zn-Y-（Gd） alloys increase remarkably with the increase of the volume fraction of LPSO phase.In addition,the pinning effect of W-phase and dispersive cube-shaped Mg-Y-Gd phase is beneficial to improving the mechanical properties of as-cast Mg（94）Zn3YxGd（3-x） alloy in deformation process.

EFFECT OF NANOCRYSTALLINE AND TWIN BOUNDARIES ON CORROSION BEHAVIOR OF 316L STAINLESS STEEL USING SMAT

By means of surface mechanical attrition treatment （ SMAT）, the groin size with a diameter of aboat 60hm formed at about 20μm depth and numerous mechanical twins at about 50μm depth from the treated surface were synthesized in 316L stainless steel because of the different distributions of strain and strain rate along depth orientation. For instance the maximum strain rate reached 10^3-10^4s^-1 on the top surface. The relationship between the microsturcture and the corrosion property was studied in 0.05M H2SO4＋ 0.25M Na2SO4 aqueous solution, and the results show an extreme improvement of corrosion resistance owing to the appearance of twin boundaries and the obvious reduction in corrosion resistance attributed to the presence of nanocrystaline boundaries.

Microstructure,hardness and corrosion properties of laser processed Ti6Al4V-based composites

Nb and Ti-13 Nb powders were used for improving the surface of Ti6Al4 V alloy.The deposition of the powders was carried out at various laser powers.The scanning electron microscopy（SEM）-EDS and optical microscopy were used for characterization.X-ray diffractometer（XRD） was used for analyzing the elemental composition and phase constituents.The hardness,wear and corrosion properties were achieved.The corrosion and the wear behaviours of the deposited layers were studied in a Hanks solution（simulated body fluid,SBF）.The microstructures of Nb coatings reveal the presence of orthorhombic,dendritic α″ and metastable β-Nb phases which produce uneven hardness with an average of HV 364.For Ti-13 Nb coatings,martensitic α′ and metastable β-Nb phases with an average hardness of HV 423 were observed.The resistance of wear on dry sliding of Ti-13 Nb coating is attributed to the increase in hardness.Experimental results indicate that deposition of Nb and Ti-13 Nb on Ti6Al4 V grossly reduces the mass fractions of Al and V in all coatings.In SBF,Nb reinforcement produces the best coating that reveals the best wear and corrosion resistances as compared with the substrate.Hence,this coating will perform best for orthopaedic implant material enhancement.

An Improved Algorithm of Grounding Grids Corrosion Diagnosis Based on Total Least Square Method

A new model considering corrosion property for grounding grids diagnosis is proposed,which provides reference solutions of ambiguous branches.The constraint total least square method based on singular value decomposition is adopted to improve the effectiveness of grounding grids' diagnosis algorithm.The improvement can weaken the influence of the model's error,which results from the differences between design paper and actual grid.Its influence on touch and step voltages caused by the interior resistance of conductors is taken into account.Simulation results show the validity of this approach.

Effects of interrupted ageing and asymmetric rolling on microstructures, mechanical properties, and intergranular corrosion behavior of Al-Mg-Si-Zn alloy

Effects of interrupted ageing(T6I6) and asymmetric rolling on microstructures, mechanical properties, and intergranular corrosion(IGC) behaviors of Al-Mg-Si-Zn alloy were investigated. Results showed that the T6 alloy has the lowest strength and the worst IGC resistance, while the T6I6 alloy has higher strength and better IGC resistance.What’ s more, the alloy treated by pre-rolling deformation has higher strength and better IGC resistance;and the alloy treated by the pre-asymmetry rolling achieves the highest strength, the best IGC resistance and lower elongation. The mechanical properties depend on microstructures such as the grain size, texture, dislocation density and precipitation, the grain boundary misorientation and grain boundary microstructure are responsible for the IGC resistance.

Corrosion related properties of iron(100) surface in liquid lead and bismuth environments:A first-principles study

The corrosion of steels in liquid metal lead （Pb） and bismuth （Bi） is a critical challenge in the development of accel-erator driven systems （ADS）. Using a first-principles method with a slab model, we theoretically investigate the interaction between the Pb （Bi） atom and the iron （Fe） （100） surface to assess the fundamental corrosion properties. Our investigation demonstrates that both Pb and Bi atoms favorably adsorb on the （100） surface. Such an adsorption decreases the energy required for the dissociation of an Fe atom from the surface, enhancing the dissolution tendency significantly. The seg- regation of six common alloying elements （Cr, A1, Mn, Ni, Nb, and Si） to the surface and their impacts on the corrosion properties are also considered. The present results reveal that Si seems to have a relatively good performance to stabilize the surface and alleviate the dissolving trend caused by Pb and Bi.

Corrosion properties of plastically deformed AZ80 magnesium alloy

AZ80 magnesium alloys were deformed at 200,250,300,350 and 400℃ with different deformation degree of 50%,75%, 83%,87%and 90%,respectively.The corrosion properties of different deformed AZ80 samples were studied by galvanic test in 3.5%NaCl solution.The results show that plastic deformation could improve the corrosion resistance of AZ80 alloy;and the corrosion rate of AZ80 deformed at 250℃ with the deformation degree of 83%was the lowest,which was 33%of the as-cast AZ80 alloy.Further studies of the microstructure show that the refined grain size and continuously distribution ofβphase around the grain boundary did have a positive effect on the improvement of corrosion resistance of AZ80 alloys.For AZ80 alloys,the smaller the grain size is,the more homogeneous the structure is,and the better the corrosion resistance is.

The effect of sodium silicate concentration on microstructure and corrosion properties of MAO-coated magnesium alloy AZ31 in simulated body fluid

In recent years,magnesium and its alloys are considered as biodegradable implants.However magnesium implants may rapidly corrode before the natural healing process of the tissue is completed.In this investigation,micro arc oxidation process has been studied for avoiding primary corrosion of the magnesium alloy in simulated body fluid.Anodized coating was formed on AZ31 alloy in nontoxic silicate-alkaline solution at constant current.The effects of silicate concentration and conductivity of electrolyte solution on microstructure and corrosion properties of coating were evaluated.Scanning electron microscopy showed that a thick and condensed coating is formed after enough anodizing period.Energy dispersive spectroscopy showed that Si,O and Mg are the main components of the coating.Corrosion resistance of the coated and uncoated samples was assessed using potentiodynamic polarization and electrochemical impedance spectroscopy tests in SBF at 37℃ and pH of 7.4.Maximum corrosion resistance was achieved at 30 g/L concentration of sodium silicate in anodizing solution.It was observed that further increase in silicate concentration decreased the corrosion resistance.

Effects of Zn content on the microstructure and the mechanical and corrosion properties of as-cast low-alloyed Mg–Zn–Ca alloys

The effects of Zn content on the microstxucture and the mechanical and corrosion properties of as-cast low-alloyed Mg-xZn~.2Ca alloys （x = 0.6wt%, 2.0wt%, 2.5wt%, hereafter denoted as 0.6Zn, 2.0Zn, and 2.5Zn alloys, respectively） axe investigated. The results show that the Zn content not only influences grain refinement but also induces different phase precipitation behaviors. The as-cast microstxucture of the 0.6Zn alloy is composed of ct-Mg, Mg2Ca, and Ca2Mg6Zn3 phases, whereas 2.0Zn and 2.5Zn alloys only contain ct-Mg and Ca2Mg6Zn3 phases, as revealed by X-ray diffraction （XRD） and txonsmission electron microscopy （TEM） analyses. Moreover, with in- creasing Zn content, both the ultimate tensile strength （UTS） and the elongation to fracture first increase and then decrease. Among the three investigated alloys, the largest UTS （178 MPa） and the highest elongation to fracture （6.5%） are obtained for the 2.0Zn alloy. In addition, the corrosion rate increases with increasing Zn content. This paper provides on updated investigation of the alloy composi- tion-microstxucture-property relationships of different Zn-containing Mg-Zn-Ca alloys.

Microstructure, mechanical and corrosion properties of magnesium alloy bone plate treated by high-energy shot peening

To enhance the mechanical properties and corrosion resistance of magnesium alloys,high-energy shot peening(HESP)was used.According to the results,the in-situ surface nanocrystallization(ISNC)microstructure was fabricated on the magnesium alloy surface,and its formation mechanism was the coordination among twins,dislocations,subgrain boundary formation and dynamic recrystallization.Under the released surface stress of sample,the residual compressive stress and microhardness rose,thus enhancing compactness of the surface passivation film Mg(OH)2.Besides,the corrosion rate dropped by 29.2% in maximum.In the polarization curve,the maximum positive shift of the corrosion potential of sample was 203 mV, and the corrosion current density decreased by 31.25% in maximum.Moreover,the compression resistance and bending resistance of the bone plate were enhanced,and the maximum improvement rates were 18.2% and 23.1%,respectively.Accordingly,HESP significantly enhanced mechanical properties and corrosion resistance of magnesium alloys.

Effect of surface preparation on corrosion properties and nickel release of a NiTi alloy

Surface preparation is potentially important to the corrosion and biomedical properties of NiTi shape memory alloys. The effect of surface preparation on corrosion properties and nickel release of a Ti-56 wt.%Ni alloy has been studied. Surface of the NiTi coupons were prepared by four methods, namely, chemical etching, electropolishing, mechanical polishing and oxidizing, and then examined by corrosion test system. Furthermore, the Ni ion releases from NiTi samples with different surface preparations dipped in 1% HCl solution were analysed. Compared with the surface after chemical treatment, mechanical polishing and thermal oxidation, electropolished surface has better corrosion resistance and less nickel release for not only its lower surface roughness, but also the composition and property of its surface film.

Corrosion properties of ECAP-processed Mg-Al-Ca-Mn alloys with separate Al2Ca and Mg2Ca phases

To investigate the effect of separate Al_(2)Ca and Mg_(2)Ca phases on the corrosion properties of Mg−Al−Ca−Mn alloys,OM,SEM,immersion and electrochemical tests were conducted on the as-cast and ECAP Al_(2)Ca-containing(2Ca)and Mg_(2)Ca-containing(4Ca)alloys.At the beginning of corrosion,the two as-cast alloys are corroded slowly compared with ECAP alloys.With prolonging the corrosion time,the corrosion of ECAP alloys becomes slighter than that of as-cast alloys,which is mainly ascribed to the dispersion and refinement of the second phase in ECAP alloys.Moreover,the corrosion degree of 2Ca alloys is always slighter than that of 4Ca alloys,suggesting that Al_(2)Ca phase is more beneficial to the enhancement of corrosion resistance of Mg−Al−Ca−Mn based alloys than Mg_(2)Ca phase.Finally,based on the examinations of corrosion surface and electrochemical testing results,different corrosion mechanisms caused by the distributions and morphology of Al_(2)Ca and Mg_(2)Ca phases are discussed.

Influence of welding speed on corrosion behaviour of friction stir welded AA5086 aluminium alloy

The plates of AA5086 aluminium alloy were joined together by friction stir welding at a fixed rotation speed of 1000 r/min various welding speeds ranging from 63 to 100 mm/min.Corrosion behavior of the parent alloy(PA),the heat affected zone(HAZ),and the weld nugget zone(WNZ)of the joints were studied in 3.5%(mass fraction)aerated aqueous Na Cl solution by potentiodynamic polarization and electrochemical impedance spectroscopy(EIS).The corrosion susceptibility of the weldments increases when the welding speed increases to 63 and 100 mm/min.However,the value of corrosion rate in the weldments is lower than that in the PA.Additionally,the corrosion current density increases with increasing the welding speed in the HAZ and the WNZ.On the contrary,the corrosion potential in the WNZ appears more positive than in the HAZ with decreasing the welding speed.The WNZ exhibits higher resistance compared to the HAZ and the PA as the welding speed decreases.The results obtained from the EIS measurements suggest that the weld regions have higher corrosion resistance than the parent alloy.With increasing the welding speed,the distribution and extent of the corroded areas in the WNZ region are lower than those of the HAZ region.In the HAZ region,in addition to the pits in the corroded area,some cracks can be seen around the corroded areas,which confirms that intergranular corrosion is formed in this area.The alkaline localized corrosion and the pitting corrosion are the main corrosion mechanisms in the corroded areas within the weld regions.Crystallographic pits are observed within the weld regions.

Impressive strides in amelioration of corrosion and wear behaviors of Mg alloys using applied polymer coatings on PEO porous coatings:A review

Magnesium(Mg)and its alloys have received much attention in a lot of areas due to their special chemical and physical properties.Nevertheless,high corrosion rates are a limiting factor.The plasma electrolytic oxidation(PEO)technique is a simple approach to place an oxide film on the surface of light metals like Mg alloys.This method has been considered for controlling the rate of corrosion and improving some other properties.On the other hand,PEO coatings cannot make enough protection of Magnesium alloys for a long time due to porosity and fine cracks.Therefore,PEO-based composite coatings are used to make adequate corrosion protection on the Mg alloys surface.The popularity of these coatings is due to their good corrosion resistance,simplicity,high coating capability,and cost-effectiveness in complex segments.Formation of an organic layer on the surface of PEO coating is one of the effective methods to close the defects and thus prevent the corrosive species penetration into the substrate.Coating the PEO coating with a polymer layer can be a good solution to control the amount of damage and improve the corrosion and abrasion resistance.In addition,PEO coating can eliminate the problems of insufficient adhesion of polymer coatings and is considered as a suitable base for composite coatings.This review paper presents the corrosion and abrasion behavior of the PEO/Polymer dual coating system on Mg alloys.Given the fundamental role of coatings thickness and morphology in wear and corrosion behavior,these aspects have been highly discussed in this study.

Microstructure,mechanical properties and corrosion performance of selective laser melting Ti/GNPs composite with a porous structure

In this study,nano-graphene reinforced titanium matrix composites(GNPs/Ti)with a honeycomb porous structure were fabricated by selective laser melting(SLM).The effects of graphene on the microstructure,mechanical properties and corrosion performance of the SLM GNPs/Ti were systematically investigated.Results of microstructure characterization show that:1)the density of the SLM GNPs/Ti was improved as compared to that of the SLM Ti;2)abundant TiC particles were formed in the SLM GNPs/Ti.The hardness and compressive strength of the composite increased by 90%(from HV 236 to HV 503)and 14%(from 277 MPa to 316 MPa),respectively,attributed to the uniformly distributed TiC and fine GNPs in the Ti matrix.Electrochemical tests reveal that the corrosion current density of the SLM GNPs/Ti is only 0.328μA/cm^(2),that is about 25%less than that of the SLM Ti.The results indicate that the incorporation of nano-graphene is a potential method to strengthen the Ti by SLM.

Mechanical and corrosion properties of Ti-35Nb-7Zr-xHA composites fabricated by spark plasma sintering

To improve the bioactivity of Ti?Nb?Zr alloy,Ti?35Nb?7Zr?xHA(hydroxyapatite,x=5,10,15and20,mass fraction,%)composites were fabricated by spark plasma sintering.The effects of the HA content on microstructure,mechanical and corrosionproperties of the composites were investigated utilizing X-ray diffraction(XRD),scanning electron microscope(SEM),mechanicaltests and electrochemical tests.Results show that all sintered composites are mainly composed ofβ-Ti matrix,α-Ti andmetal?ceramic phases(CaO,CaTiO3,CaZrO3,TixPy,etc).Besides,some residual hydroxyapatites emerge in the composites(15%and20%HA).The compressive strengths of the composites are over1400MPa and the elastic moduli of composites((5%?15%)HA)present appropriate values(46?52GPa)close to that of human bones.The composite with15%HA exhibits low corrosion currentdensity and passive current density in Hank's solution by electrochemical test,indicating good corrosion properties.Therefore,Ti?35Nb?7Zr?15HA composite might be an alternative material for orthopedic implant applications.

Effect of Mn and MnS on corrosion properties of domestic pipeline steels and welds

Base metals of domestic pipeline steels were used to study the effect of Mn on corrosion properties of SSCC(Sulfide Stress Corrosion Cracking), and welds were carried out to study the effect of MnS on corrosion properties of HIC (Hydrogen Induced Cracking) both in solutions with wet hydrogen sulfide(H_2S). They were respectively conducted by referring to the standards of SSCC and HIC. Testing results revealed that with the increase of content Mn, the resistance of SSCC will be decreased, from the point of metallurgic view, and it is Mn element not C element to lead to the testing results of SSCC. Meanwhile, even under the condition without inclusions MnS, HIC in welds still occurred. That is to say, MnS is not necessary for HIC, the presence of local banded structures in which Mn and P are inclined to aggregate cause to the phenomena of HIC.