Ab initio molecular dynamics simulations of nano-crystallization of Fe-based amorphous alloys with early transition metals

The addition of early transition metals（ETMs） into Fe-based amorphous alloys is practically found to be effective in reducing the α-Fe grain size in crystallization process. In this paper, by using ab initio molecular dynamics simulations, the mechanism of the effect of two typical ETMs（Nb and W） on nano-crystallization is studied. It is found that the diffusion ability in amorphous alloy is mainly determined by the bonding energy of the atom rather than the size or weight of the atom. The alloying of B dramatically reduces the diffusion ability of the ETM atoms, which prevents the supply of Fe near the grain surface and consequently suppresses the growth of α-Fe grains. Moreover, the difference in grain refining effectiveness between Nb and W could be attributed to the larger bonding energy between Nb and B than that between W and B.

Formation and mechanical properties of ductile Fe-based amorphous alloys using a cast iron with minor addition of B and Al

Fe-based amorphous alloys with ductility were synthesized using the commercial cast iron QT50 (denoted as QT) with the combining minor addition of B and Al by single roller melt-spinning. The melt-spun (QT1-xBx)99Al1 (x is from 0.006wt% to 0.01wt%) amorphous alloys exhibit onset crystallization temperatures and Curie temperatures of 759-780 and 629-642 K respectively, and whi- ch increase with B content. The amorphous ribbons are ductile and can be bent 180° without breaking. With the increase in B content from 0.006wt% to 0.01wt%, the Vickers microhardness of the amorphous alloys increases from Hv 830 to Hv 1110. The effects of the additional B and Al elements on the glass forming ability and mechanical properties were also discussed.

Ductile Fe-based amorphous alloys with high iron content

Fe-based amorphous alloys with high iron content of 76at%-80at%were synthesized in the Fe-Mo-Si-P-C-B alloy system by the single roller melt-spinning technique.The amorphous ribbons exhibit high Vickers microhardness and good ductility,which can be indented and bent 180°without breaking.A number of shear bands could be observed around the indents and the bending traces.Studies on the magnetic properties of the amorphous alloys show that they possess high saturation magnetizations of 1.34-1.6 T,which increases with the increase of iron content.The core losses of these Fe-based amorphous alloys at various magnetic inductions were tested and found to be significantly dependent on their components.The Fe-Mo-Si-P-C-B amorphous alloys with excellent mechanical properties and soft magnetic properties have promising potential in functional applications.

Clean production of Fe-based amorphous soft magnetic alloys via smelting reduction of high-phosphorus iron ore and apatite

Separated preparation of prealloys and amorphous alloys results in severe solidification-remelting and beneficial element removal-readdition contradictions,which markedly increase energy consumption and emissions.This study offered a novel strategy for the direct production of FePC amorphous soft magnetic alloys via smelting reduction of high-phosphorus iron ore(HPIO)and apatite.First,the thermodynamic conditions and equilibrium states of the carbothermal reduction reactions in HPIO were calculated,and the element content in reduced alloys was theoretically determined.The phase and structural evolutions,as well as element migration and enrichment behaviors during the smelting reduction of HPIO and Ca_(3)(PO_(4))_(2),were then experimentally verified.The addition of Ca_(3)(PO_(4))_(2)in HPIO contributes to the enrichment of the P element in reduced alloys and the subsequent development of Fe_(3)P and Fe_(2)P phases.The content of P and C elements in the range of 1.52 wt% -14.63 wt% and 0.62 wt% -2.47 wt%,respectively,can be well tailored by adding 0-50 g Ca_(3)(PO_(4))_(2)and controlling the C/O mole ratio of 0.8-1.1,which is highly consistent with the calculated results.These FePC alloys were then successfully formed into amorphous ribbons and rods.The energy consumption of the proposed strategy was estimated to be 2.00×10^(8) kJ/t,which is reduced by 30% when compared with the conventional production process.These results are critical for the comprehensive utilization of mineral resources and pave the way for the clean production of Fe-based amorphous soft magnetic alloys.

Purifying Fe-based amorphous alloys to enhance glass-forming ability by designing a novel refining slag

Designing low melting point and low basicity refining slag suitable for Fe-based amorphous alloys and understanding the inclusions’formation,removal,influencing mechanisms are quite vital in the fields of metallurgy and materials.In this study,a novel 13%SiO_(2)-32%CaO-30%Al_(2)O_(3)-25%B_(2)O_(3)(wt.%)refining slag was designed after careful calculations of the liquid phase region,slag-metal equilibrium,surface tension,viscosity,deoxidation capability and sulfur distribution ratio.After refining with our designed slag,the content of impurities and the number density of inclusions in a representative Fe_(83)Si_(2)B_(15)(at.%)amor-phous alloy were significantly reduced.Moreover,the glass-forming ability(GFA)of the alloy was also enhanced,enabling the preparation of amorphous ribbons with a lower cooling rate.Based on the impu-rities in Fe-based amorphous alloys as well as the calculated oxide and sulfide free energy diagrams,CaO,SiO_(2),Al_(2)O_(3) oxides and CaS,TiS,MnS sulfides will form in the master alloy.The high melting point in-clusions in the melt are generally removed via a floatation-separation-absorption process and the Mn,Ti,S impurities are removed via slag-metal interface reactions during refining.As for the detrimental effect of inclusions on glass formation,the small lattice disregistry between Ti,Mn-containing inclusions and primaryα-Fe gains reveal that these inclusions are effective in promoting the heterogeneous nucleation,and therefore greatly deteriorate the GFA.These findings are important and provide an ideal solution to purifying the Fe-based amorphous alloys by refining and enhancing the GFA for industrial production.

Influence of thermal history on the crystallization behavior of high-Bs Fe-based amorphous alloys

A crucial step in creating cutting-edge soft magnetic alloys is the nanocrystallization of Fe-based amorphous alloys.However,it is unclear how the thermal history affects the nanocrystallization.In this work,high-precision nanocalorimetry and in-situ hightemperature transmission electron microscopy are used to systematically examine how the pre-annealing relaxation process affects the nanocrystallization of Fe-based amorphous alloys.We discover that the glass with more thermal energy storage will crystallize into superb nanocrystalline structures with exceptionally advanced soft magnetism.The soft magnetic properties of Fe-B nanocrystalline alloys can be improved by increasing the relaxation temperature.This finding provides solid and clear evidence for the influences of thermal history on crystallization behavior for Fe-based amorphous alloys,which is helpful for designing advanced soft magnetic nanocrystalline alloys.

Progress and prospects of Mg-based amorphous alloys in azo dye wastewater treatment

Mg-based amorphous alloys exhibit efficient catalytic performance and excellent biocompatibility with a promising application probability,specifically in the field of azo dye wastewater degradation.However,the problems like difficulty in preparation and poor cycling stability need to be solved.At present,Mg-based amorphous alloys applied in wastewater degradation are available in powder and ribbon.The amorphous alloy powder fabricated by ball milling has a high specific surface area,and its reactivity is thousands of times better than that of gas atomized alloy powder.But the development is limited due to the high energy consumption,difficult and costly process of powder recycling.The single roller melt-spinning method is a new manufacturing process of amorphous alloy ribbon.Compared to amorphous powder,the specific surface area of amorphous ribbon is relatively lower,therefore,it is necessary to carry out surface modification to enhance it.Dealloying is a way that can form a pore structure on the surface of the amorphous alloys,increasing the specific surface area and providing more reactive sites,which all contribute to the catalytic performance.Exploring the optimal conditions for Mg-based amorphous alloys in wastewater degradation by adjusting amorphous alloy composition,choosing suitable method to preparation and surface modification,reducing cost,expanding the pH range will advance the steps to put Mg-based amorphous alloys in industrial environments into practice.

Evaluating corrosion resistances of Fe-based amorphous alloys by yCr/Mo values

In this paper, the synthetic effect ofCr, Mo and Y on corrosion resistance was explored, and the YCr/Mo value was employed to evaluate the corrosion resistance. The composition of amorphous alloy was designed by mixing the Fe41Co7Cr15Mo14C15B6Y2 （BMG1） with good glass forming ability （GFA） and Fe50Cr22B23Ni5.4 with a high corrosion resistance at 9：1 ratio. At the same time, the contents of Y, Mo and Cr were fine-tuned. The electrochemical tests demonstrated that the passivation current density decreased with the increase of the yCr/Mo value. The passivation current density of Fe-based amorphous alloy was reduced by about half an order of magnitude. The fitting result showed that the logarithm ofpassivation current density （I） and the YCr/Mo value （X） were logarithmic relationship, and the fitting equation was I=-5.649＋4.904× 1015 e 17.52x. The X-ray photoelectron spectroscopy （XPS） results showed that the yC,/Mo value played a key role in stability of passive films. When the yCr/Mo value Was low, the Cr6＋ ion, Mo6＋ ion were enriched in the initial stage of passivation process, then leading to the increase passivation current density. However, when the YCr/Mo value was high, the low-valence Fe2-, Cr3＋, and Mo4＋ ion were enriched more easily, which result in small passivation current densities and more stable passive films.

Ferromagnetic element microalloying and clustering effects in high B_s Fe-based amorphous alloys

Fe83（Cox,Niy）（B11Si2P3C1）1-x,y/17（x,y=1–3）amorphous alloys with high saturation magnetic flux density（Bs）and excellent soft-magnetic properties were developed and then the microalloying and clustering effects were explored.The microalloying of Co and Ni improves the Bsfrom 1.65 T to 1.67–1.72 T and 1.66–1.68 T,respectively.The Ni-doped alloys exhibit better soft-magnetic properties,containing a low coercivity（Hc） of about 5.0 A/m and a high Effective permeability（μe）of（8–10）×10^3,whereas the microalloying of Co leads to a deteriorative Hc of 5.0–13.0 A/m and a μeof（5–8）×10^3.Moreover,microalloying of Ni can increase the ductile-brittle transition（DBT）temperature of the ribbons,while a totally opposite effect is found in the Co-doped alloys.The formation of dense α-Fe（Co,Ni）clusters during annealing process is used to explain the distinct effects of Co and Ni microalloying on the magnetic properties and bending toughness.

Effects of W Addition on the Electrochemical Behaviour and Passive Film Properties of Fe-Based Amorphous Alloys in Acetic Acid Solution

The electrochemical behaviour and passive film properties of Fe-Cr-Mo-W-C-B-Y amorphous alloys in acetic acid solution were investigated. The potentiodynamic polarisation and Nyquist curves demonstrated that W addition signifi- cantly enhanced the corrosion resistance. Mott-Schottky plots and angle-resolved X-ray photoelectron spectra indicated that passive films with different W contents exhibited dipolar （p-n） semiconducting characteristics separated by fiat-band potentials. The outer and inner oxide layers of the passive films were modified by reducing the acceptor and donor densities. Moreover, W addition favoured the formation of a thicker and more stable passive film to inhibit the dissolution of alloy elements.

Research of caged dynamics of clusters center atoms in Pd_(82)Si_(18) amorphous alloy

To date,there is still a lack of a comprehensive explanation for caged dynamics which is regarded as one of the intricate dynamic behaviors in amorphous alloys.This study focuses on Pd_(82)Si_(18)as the research object to further elucidate the underlying mechanism of caged dynamics from multiple perspectives,including the cage's lifetime,atomic local environment,and atomic potential energy.The results reveal that Si atoms exhibit a pronounced cage effect due to the hindrance of Pd atoms,resulting in an anomalous peak in the non-Gaussian parameters.An in-depth investigation was conducted on the caged dynamics differences between fast and slow Si atoms.In comparison to fast Si atoms,slow Si atoms were surrounded by more Pd atoms and occupied lower potential energy states,resulting in smaller diffusion displacements for the slow Si atoms.Concurrently,slow Si atoms tend to be in the centers of smaller clusters with coordination numbers of 9 and 10.During the isothermal relaxation process,clusters with coordination numbers 9 and 10 have longer lifetimes,suggesting that the escape of slow Si atoms from their cages is more challenging.The findings mentioned above hold significant implications for understanding the caged dynamics.

Formation and corrosion behavior of Fe-based amorphous metallic coatings prepared by detonation gun spraying

Amorphous metallic coatings with a composition of Fe48Cr15Mo14C15B6Y2 were prepared by detonation gun spraying process. Microstructural studies show that the coatings present a densely layered structure typical of thermally sprayed deposits with the porosity below 2%. Both crystallization and oxidation occurred obviously during spraying process, so that the amorphous fraction of the coatings decreased to 54% compared with fully amorphous alloy ribbons of the same component. Corrosion behavior of the amorphous coatings was investigated by electrochemical measurement. The results show that the coatings exhibit extremely wide passive region and low passive current density in 3.5% NaCl (mass fraction) and 1 mol/L HCl solutions, which illustrates excellent ability to resist localized corrosion.

Fabrication and microstructure of Fe-based amorphous composite coatings by laser cladding

Fe-based amorphous composite coatings were fabricated on AISI 1045 steel by laser cladding. The results of the X- ray diffraction and transmission electron microscopy analyses .show the coating is composed of an amorphous phase in majority and a nanocrystaUine phuse in m,inority. Phase composition of the coating changes along the depth of the coating. The reasonable scanning speed for fabricating an amorphous composite coating is 3 500 mm/min when the laser power is 4 800 W and the laser beam diameter is 2 mm. If the scanning speed is lower than 3 500 mm/min, the intensity of the two main diffraction peaks in X-ray diffraction patterns of the coatings decreases with the scanning speeds increasing. At the same time, a broad halo peak emerges and enlarges. High laser power and fast scanning speed are the essential conditions of amorphization. The coating exhibits high microhardness.

Fe-based amorphous coating prepared using high-velocity oxygen fuel and its corrosion behavior in static lead-bismuth eutectic alloy

The Fe_(949.7)Cr_(18)Mn_(1.9)Mo_(7.4)W_(1.6)B_(15.2)C_(3.8)Si_(2) amorphous coating was deposited on T91 steel substrate by using the high-velocity oxygen fuel(HVOF)spray technique to enhance the corrosion resistance of T91 stainless steel in liquid lead-bismuth eutectic(LBE).The corrosion behavior of the T91 steel and coating exposed to oxygen-saturated LBE at 400℃ for 500 h was investigated.Results showed that the T91 substrate was severely corroded and covered by a homogeneously distributed dual-layer oxide on the interface contacted to LBE,consisting of an outer magnetite layer and an inner Fe-Cr spinel layer.Meanwhile,the amorphous coating with a high glass transition temperature(Tg=550℃)and crystallization temperature(T_(x)=600℃)exhibited dramatically enhanced thermal stability and corrosion resistance.No visible LBE penetration was observed,although small amounts of Fe_(3)O_(4),Cr_(2)O_(3),and PbO were found on the coating surface.In addition,the amorphicity and interface bonding of the coating layer remained unchanged after the LBE corrosion.The Fe-based amorphous coating can act as a stable barrier layer in liquid LBE and have great application potential for long-term service in LBE-cooled fast reactors.

Ferromagnetic Fe-based Amorphous Alloy with High Glass-forming Ability

A ferromagnetic amorphous Fe73Al4Ge2Nb1P10C6B4 alloy with high glass-forming ability was synthesized by melt spinning. The supercooled liquid region before crystallization reaches about 65.7 K. The crystallized structure consists of alpha -Fe, Fe3B, FeB, Fe3P and Fe3C phases. The Fe-based amorphous alloy exhibits good magnetic properties with a high saturation magnetization and a low saturated magnetostriction. The crystallization leads to an obvious decrease in the soft magnetic properties.

Influence of Metalloid Elements on the Magnetic Properties and Anisotropy of FeNi-based Amorphous Alloys

The magnetic properties and anisotropy of amor- phous(Fe_(80)Ni_(20))_(78)Si_xB_(22-x).alloys have been investigated systematically.The maximum permeability,coercive force and remanence have been determined for as-prepared and annealed samples,The results on the technical magnetic properties of this alloy system have been discussed and compared with Masumoto's.

Effect of Kerosene Flowing Rate on Microstructure and Wearing Properties for Fe-based Amorphous Coatings

The effects of kerosene flow rate on the microstructure and wearing properties were investigated for Fe-based amorphous coatings sprayed by High Velocity Oxygen Fuel (HVOF).The microstructures and wearing properties of the Fe-based amorphous coatings were analyzed with scanning electron microscope (SEM),X-ray diffraction analyzer (XRD),and ball-on-disc tribometer (CFT-1),respectively.The experimental results show that the well interfacial bonding can be observed between the amorphous coating layer and the substrate,and the porosity in amorphous coating layer is less to 1%.Only some crystalline a-Fe and FeO phases can be detected by XRD in the amorphous coatings,while the amorphous content is up to 99.4%.The wearing coefficient is near to 0.15,which is superior to SUS316 of 0.28.As the increasing of wearing loads,the failure mode is changed from oxidation wear to the composite of oxidation and abrasive wear.

Hot-press sintering of MA Fe-based nanocrystalline/amorphous soft magnetic powder

Microstructures and magnetic properties of Fe84Nb7B9,Fe80Ti8B 12 and Fe32Ni36（Nb/V）7Si8B17 powders and their bulk alloys prepared by mechanical alloying（MA） method and hot-press sintering were studied. The results show that: 1) After MA for 20 h,nanocrystalline bcc singl e phase supersaturated solid solution forms in Fe84-Nb7B9 and Fe8 0Ti8B12 alloys,amorphous structure forms in Fe32Ni36Nb7 Si8B17 alloy,duplex microstructure composed of nanocrystalline γ- （FeNi） supersaturated solid solution and trace content of Fe2B phase forms in Fe32Ni36-V7Si8B17 alloy. 2) The decomposition process of supersaturated solid solution phases in Fe84Nb7B9 and Fe80Ti8B 12 alloys happens at 710780 ℃,crystallization reaction in Fe （32）Ni36Nb7Si8B17 alloy happens at 530 ℃（the temperature of peak value） and residual amorphous crystallized further happens at 760 ℃ （the temperature of peak value）,phase decomposition process of supersaturated solid solution at 780 ℃ （the temperature of peak value） and crystallization reaction at 431 ℃ （the temperature of peak value） happens in Fe32Ni36V7S i8B17 alloy. 3) under 900 ℃,30 MPa,（0.5 h） hot-press sintering conditions,bulk alloys with high relative density（94.7%95.8%） can be ob tained. Except that the grain size of Fe84Nb7B9 bulk alloy is large,s uperfine grains （grain size 50200 nm） are obtained in other alloys. Exc ept that single phase microstructure is obtained in Fe80Ti8B12 bul k alloy,multi-phase microstructures are obtained in other alloys. 4) The magne tic properties of Fe80Ti8B12bulk alloy（Bs=1.74 T,Hc= 4.35 kA/m） are significantly superior to those of other bulk alloys,which is r elated to the different phases of nanocrystalline or amorphous powder formed dur ing hot-press sintering process and grain size.

INFLUENCE OF B ON H_2S CORROSION-RESISTANTBEHAVIOR OF Fe-BASED AMORPHOUS

Substituting boron for carbon can improve the corrosion behavior of Fe-based amorphous significantly especially in acid solution with saturated H_2S. XPS analysis proves that boron enriches in the surface layer of amorphous and reacts with hydrogen to form B_(10)H_(14) . It efficiently prevents the intrusion of hydrogen to the sample, thus the destructive effect of hydrogen can be decreased greatly.

Application of Fe-Based Amorphous Alloy in Industrial Wastewater Treatment:A Review

Amorphous alloy(MGs)is a solid alloy with disordered atomic accumulation obtained by ultra-rapid solidification of alloy melt.The atom deviates from the equilibrium position and is in metastable state.Up to now,a large number of MGs have been applied to the treatment of dye and heavy metal contaminated wastewater and ideal experimental results have been obtained.However,there is no literature to systematically summarize the chemical reaction and degradation mechanism in the process of degradation.On the basis of reviewing the classification,application,and synthesis of MGs,this paper introduces in detail the chemical reactions such as decolorization,mineralization,and ion leaching of Fe-based amorphous alloy(Fe-MGs)in the degradation of organic and inorganic salt wastewater through direct reduction or advanced oxidation mechanism.Compared with crystalline materials,the higher reaction rate of Fe-MGs can be attributed to lower activation energy,negative redox potential,loose product layer,and band structure with downward shift of valence band top.Finally,some suggestions and prospects are put forward for the limitations and research prospects of MGs in the environmental field,which provides a new idea for the synthesis of new environmental functional materials.