A series of rod samples with diameter of 3 mm(Zr0.55Al0.10Ni0.05Cu0.30)100-xFex(x=0,1,2,3,4) were prepared by magnetic suspend melting and copper mold suction casting method.The effects of a small amount of Fe on ...A series of rod samples with diameter of 3 mm(Zr0.55Al0.10Ni0.05Cu0.30)100-xFex(x=0,1,2,3,4) were prepared by magnetic suspend melting and copper mold suction casting method.The effects of a small amount of Fe on glass forming ability(GFA) and mechanical properties of Zr55Al10Ni5Cu30 bulk metallic glass(BMG) were investigated.The results show that the addition of an appropriate amount(less than 3%,mole fraction) of Fe enhances GFA,as indicated by the increase in the reduced glass transition temperature Trg(=Tg/Tl) and the parameter γ(=Tx/(Tg+Tl)) with increasing Fe content,and GFA gets deteriorated by further Fe addition(4%).The addition of Fe also effectively improves the compressive plasticity and increases the compressive fracture strength in these Zr-based BMGs.Compressive tests on BMG sample with 3 mm in diameter and 6 mm in length reveal work-hardening and a certain plastic strain in the alloy containing 2% Fe.The BMG composite containing 4% Fe also exhibits a high fracture strength along with significant plasticity.展开更多
Pd81Si19 amorphous alloys were prepared by combination methods of melt spinning and B2O3 flux treatment. A compari- son between the ribbons prepared from the fluxed ingots and the non-fluxed ones has been carried out....Pd81Si19 amorphous alloys were prepared by combination methods of melt spinning and B2O3 flux treatment. A compari- son between the ribbons prepared from the fluxed ingots and the non-fluxed ones has been carried out. The result reveals that after fluxing treatment the glass transition temperature of the as-prepared glassy ribbons is reduced while the initial crystallization tem- perature is enhanced. It results in that the supercooled liquid region (defined as the difference between the initial crystallization tem- perature and the glass transition temperature) of the glassy alloy treated with fluxing technology has been increased from 31 to 42 K. This shows that fluxing technique can enhance the glass forming ability (GFA) of the binary alloy and improve the thermal stability of supercooled liquid of the glassy alloy.展开更多
The influences of the addition of Ag on the glass forming ability (GFA) and corrosion behavior were investigated in the Mg-Ni-based alloy system by X-ray diffraction (XRD) and electrochemical polarization in 0.1 mol/L...The influences of the addition of Ag on the glass forming ability (GFA) and corrosion behavior were investigated in the Mg-Ni-based alloy system by X-ray diffraction (XRD) and electrochemical polarization in 0.1 mol/L NaOH solution.Results shows that the GFA of the Mg-Ni-based BMGs can be improved dramatically by the addition of an appropriate amount of Ag;and the addition element Ag can improve the corrosion resistance of Mg-Ni-based bulk metallic glass.The large difference in atomic size and large negative mixing enthalpy in alloy system can contribute to the high GFA.The addition element Ag improves the forming speed and the stability of the passive film,which is helpful to decrease the passivation current density and to improve the corrosion resistance of Mg-Ni-based bulk metallic glass.展开更多
The effects of microalloying of Ti and B on the glass formation of Cu60Pr30Ni10Al10-2xTixBx(x = 0, 0.05% (atom fraction)) amorphous alloys was investigated using differential scanning calorimetry (DSC) and X-ray...The effects of microalloying of Ti and B on the glass formation of Cu60Pr30Ni10Al10-2xTixBx(x = 0, 0.05% (atom fraction)) amorphous alloys was investigated using differential scanning calorimetry (DSC) and X-ray diffraction (XRD). XRD analysis showed that mieroalloying with 0.05% Ti and 0.05% B improved the glass forming ability (GFA). The smaller difference in the Gibbs free energy between the liquid and crystalline states at the glass transition temperature (△G1-X(Tg)) and the smaller thermodynamic fragility index (△Sf/Tm, where ASf is the entropy of fusion, and Tm is the melting temperature) after mieroalloying correlated with the higher GFA.展开更多
The thermodynamic model of multicomponent chemical short range order (MCSRO) was established in order to evaluate the glass forming ability (GFA) of ternary alloys. Comprehensive numerical calculations using MSCRO sof...The thermodynamic model of multicomponent chemical short range order (MCSRO) was established in order to evaluate the glass forming ability (GFA) of ternary alloys. Comprehensive numerical calculations using MSCRO software were conducted to obtain the composition dependence of the MCSRO undercooling in Zr Ni Cu, Zr Si Cu and Pd Si Cu ternary systems. By the MCSRO undercooling principle, the composition range of Zr Ni Cu system with optimum GFA is determined to be 62.5 ~ 75 Zr, 5~ 20 Cu, 12.5 ~ 25 Ni ( n (Ni)/ n (Cu)=1~5). The TTT curves of Zr Ni Cu system were also calculated based on the MCSRO model. The critical cooling rates for Zr based alloy with deep MSCRO undercooling are estimated to be as low as 100?K/s, which is consistent with the practical cooling rate in the preparation of Zr based bulk metallic glass (BMG). The calculation also illustrates that the easy glass forming systems such as Pd based alloys exhibit an extraordinary deep MCSRO undercooling. It is shown that the thermodynamic model of MCSRO provides an effective method for the alloy designing of BMG.展开更多
By a mean field theoretical computation,the equilibrium distributions of additional Ag and Al in the crystalline phase of CuZr-based alloys were determined to occupy the two sublattices of the B2 structure randomly.Wi...By a mean field theoretical computation,the equilibrium distributions of additional Ag and Al in the crystalline phase of CuZr-based alloys were determined to occupy the two sublattices of the B2 structure randomly.With the molecular dynamics technique,the effects of Ag and Al on the enthalpy difference(ΔH) between the supercooled melt and the crystalline phase were evaluated.The improved glass forming ability of Cu45Zr45Al10 and Cu45Zr45Ag10 can be attributed to their remarkably smaller ΔH than that of CuZr.The calculated diffusion coefficients are more sensitive to the atomic weight of the component atoms than to their interaction strength.As the component atom with the largest mass,the additional Ag increases the viscosity of the supercooled melt significantly and the experimentally stronger glass formation ability of Cu45Zr45Ag10 than Cu45Zr45Al10 can be well understood.展开更多
Zr-based Bulk metallic glasses exhibit incredible corrosion resistance and glass forming ability,however,these properties need further enhancement to meet the practical use.In this study,Zr63Fe2.5Cu23Al11.5,a new type...Zr-based Bulk metallic glasses exhibit incredible corrosion resistance and glass forming ability,however,these properties need further enhancement to meet the practical use.In this study,Zr63Fe2.5Cu23Al11.5,a new type of Zr-based bulk metallic glass was fabricated.Potentiodynamic polarization techniques were used to measure the corrosion resistance of this alloy.Furthermore,crystallization behavior and kinetics of Zr63Fe2.5Cu23Al11.5 bulk metallic glass were investigated by using differential scanning calorimetry of non-isothermal model.Kissinger and Ozawa methods were used for calculating activation energies of crystallization and the mechanism of crystallization was analyzed by Johnson-Mehl-Avrami-Kolmogorow methods.The results suggest that this specified metallic glass system possesses a relatively high thermal stability and glass forming ability.Moreover,the crystallization procedure is mainly dominated by nucleation with an increasing rate.The study demonstrates that the slight composition adjustment of Zr-Fe-Cu-Al system bulk metallic glass can make a considerable contribution to higher glass forming and thermal stability as well as corrosion resistance.展开更多
Nd55-x Al10+x Fe15 (x =0, 5, 10) bulk glass-forming alloys with distinct glass transition in differential scanning calorimetry (DSC) traces were obtained by suction casting, The glass forming ability (GFA) of t...Nd55-x Al10+x Fe15 (x =0, 5, 10) bulk glass-forming alloys with distinct glass transition in differential scanning calorimetry (DSC) traces were obtained by suction casting, The glass forming ability (GFA) of the alloys was investigated. It was found that the reduced glass transition temperature (Trg) and the parameter γ of the alloys increased with the increasing concentration of Al. The glass formation enthalpy of the alloys was calculated based on Miedema's model, and it was suggested that the GFA of the alloys could be enhanced by the decrease of the glass formation enthalpy with Al additions.展开更多
The glass forming ability (GFA), microstructure and magnetic property in (Nd60Al10Ni10)Cu20-xFex (0≤ x≤ 20) alloys were investigated by using X-ray diffraction (XRD), differential scanning calorimetry (DSC), high re...The glass forming ability (GFA), microstructure and magnetic property in (Nd60Al10Ni10)Cu20-xFex (0≤ x≤ 20) alloys were investigated by using X-ray diffraction (XRD), differential scanning calorimetry (DSC), high resolution transmission electron mi- croscopy (HRTEM) and magnetic property measurement. It is shown that the GFA of the alloys decreases with Fe content. The sam- ples for bulk cylinders with x≤10 show a distinct endothermic peak in the DSC traces due to a glass transition in the range of 421-438 K. With further increasing Fe, the glass transition is masked by the crystallization. The microstructure of the Nd-based alloy can change progressively from full glassy state into composite state with nanocrystalline particles in the glassy matrix indicating the glass forming ability degrades with increasing Fe. The average size of nanocrystals increases with Fe and the distribution changes from homogenous to heterogeneous. The magnetic property varies from paramagnetic to hard magnetic when the Fe content increases up to about 4at% indicating that the magnetic property is related to the metastable phases.展开更多
Bulk metallic glasses(BMGs) with new chemical compositions(ZrCoAgAlNi) were fabricated and the effects of Ag minor addition on the glass forming ability(GFA) and crystallization kinetics were studied. The x-ray diffra...Bulk metallic glasses(BMGs) with new chemical compositions(ZrCoAgAlNi) were fabricated and the effects of Ag minor addition on the glass forming ability(GFA) and crystallization kinetics were studied. The x-ray diffraction(XRD) test was applied to identify the amorphousness of BMGs or possible crystalline phases. Using differential scanning calorimeter(DSC), the thermal stability and crystallization kinetics under a non-isothermal condition at the different heating rates were studied. Considering the heating rate dependency of glass transition and crystallization kinetics, the activation energy was evaluated and measured for the mentioned processes. It was revealed that the rise in Ag content led to the decrease in activation energy for glass transition, while the activation energy for crystallization increased. The thermal stability and GFA were also studied and it was found that the Ag addition strongly affected the inherent features of BMGs. With the increase in Ag content, the atomic mobility and structural rearrangement changed in the material and consequently, the GFA and thermal stability were significantly improved.展开更多
It has been confirmed that glass-forming ability (GFA) of supercooled liquids is related to not only liquid phase stability but also the crystallization resistance. In this paper, it is found that the liquid region ...It has been confirmed that glass-forming ability (GFA) of supercooled liquids is related to not only liquid phase stability but also the crystallization resistance. In this paper, it is found that the liquid region interval (T1 - Tg) characterized by the normalized parameter of Tg/T1 could reflect the stability of glass-forming liquids at the equilibrium state, whilst the normalization of supercooled liquid region △Tx=(Tx - Tg), i.e. △Tx/Tx (wherein T1 is the liquidus temperature, Tg the glass transition temperature, and Tx the onset crystallization temperature) could indicate the crystallization resistance during glass formation. Thus, a new parameter, defined as ζ = Tg/T1+△Tx/Tx is established to predict the GFA of supercooled liquids. In comparison with other commonly used criteria, this parameter demonstrates a better statistical correlation with the GFA for various glass-forming systems including metallic glasses, oxide glasses and cryoprotectants.展开更多
A new microstructure model is developed for amorphous alloys,so called Cluster medel, in which the amorphous phase is thought of composing of randomly distributed ordered clusters of different sizes.Thermodynamic calc...A new microstructure model is developed for amorphous alloys,so called Cluster medel, in which the amorphous phase is thought of composing of randomly distributed ordered clusters of different sizes.Thermodynamic calculation on this model deduces a parameter describing the glass forming ability of metallic alloys:α_c=(1-2.08/Φ_m)T_g/T_m,where T_g is gass transition temperature,T_m is the melting temperature,and Φ_m is entralpy change of melting.It is believed that easy glass forming alloy systems have larger values of a_c.This new criterion of GFA not only provides the theoretical background for several GFA criteria in the literature cited,but also can predict the GFA of many alloy systems more reasonably and accurately.展开更多
Molecular dynamics(MD) simulations were performed to investigate the glass forming ability(GFA) and microscopic structural properties of liquid Cu-Zr alloys.Based on the analysis of composition dependences of the redu...Molecular dynamics(MD) simulations were performed to investigate the glass forming ability(GFA) and microscopic structural properties of liquid Cu-Zr alloys.Based on the analysis of composition dependences of the reduced glass transition temperatures and the excess volume,we found that the Cu-Zr glasses have the largest GFA at Cu65Zr35 composition.To get more detailed information of local structure,we calculated the pair correlation functions,partial pair correlation functions,the excess entropy,chemical order parameter,coordination number,and Voronoi index of Cu-Zr liquids.We found that there exists an obvious and close relationship among the GFA,the excess entropy calculated using the total pair correlation functions,chemical order parameters,and some Cu centered cluster with Voronoi index <0,2,8,1> and Zr centered cluster with Voronoi index <0,3,6,4>,which all have nonlinear dependences on Cu/Zr concentration and have extreme values at liquid Cu65Zr35 composition.展开更多
The glass forming ability (GFA) and thermodynamic properties of the La-AI-Cu-Co alloy system were investigated, and novel La-AI-Cu-Co bulk metallic glasses (BMGs) with a minimum critical diameter of 8 mm were fabr...The glass forming ability (GFA) and thermodynamic properties of the La-AI-Cu-Co alloy system were investigated, and novel La-AI-Cu-Co bulk metallic glasses (BMGs) with a minimum critical diameter of 8 mm were fabricated. The differing GFAs were examined from a thermodynamic viewpoint. The GFA of the La-A1-Cu-Co alloys was well-correlated with the supercooled liq- uid region, ATx, and the parameter, 7; but not with the reduced glass transition temperature, Trg. In addition, the La62Al14Cu14Co8 BMG exhibited a high GFA, low glass transition temperature of 412 K, and broad supercooled liquid region of 70 K. These novel BMGs, which were fabricated from low-cost raw materials, had the potential to be used in various applications. The GFA of the pre- sent alloys exhibited a dependence on the relative number of AlqEo and AI-Cu atomic pairs, i.e., on the AI:Co and AI:Cu ratios, which were -2.3 and 0.85, respectively.展开更多
Mg86.33Ni13.67-xYx(x=0, 1, 3, 6, 10) amorphous alloys were obtained by single-roller melt-spinning technique and the effect of Y addition on the glass forming ability(GFA), crystallization and micro-hardness of Mg-Ni ...Mg86.33Ni13.67-xYx(x=0, 1, 3, 6, 10) amorphous alloys were obtained by single-roller melt-spinning technique and the effect of Y addition on the glass forming ability(GFA), crystallization and micro-hardness of Mg-Ni alloys were studied. The results show that the GFA of Mg86.33Ni13.67-xYx(x=0, 1, 3, 6, 10) is improved successfully with the Y addition. The highest GFA appeares at x=6, while the reduced glass transition temperature (Trg) is 0.5225 and the supercooled liquid region(ΔTx) is 42.06 K; the position of the main diffraction halo is different for the alloys, and the maximum of the main diffraction halo of alloys with x=0, 1, 3 corresponds to the main peaks of a metastable fcc-Mg6Ni or fcc-Mg6Ni + Ni-Y intermetallic phases, and for the alloys with x=6, 10, it corresponds to Mg-Y and Ni-Y intermetallic phases; the micro-hardness of the alloys is improved with Y additions, and the highest micro-hardness is obtained at x=6 at.%, which is 960 MPa.展开更多
Fe-based metallic glasses(MGs)have shown great commercial values due to their excellent soft magnetic properties.Magnetism prediction with consideration of glass forming ability(GFA)is of great signifi-cance for devel...Fe-based metallic glasses(MGs)have shown great commercial values due to their excellent soft magnetic properties.Magnetism prediction with consideration of glass forming ability(GFA)is of great signifi-cance for developing novel functional Fe-based MGs.However,theories or models established based on condensed matter physics exhibit limited accuracy and some exceptions.In this work,based on 618 Fe-based MGs samples collected from published works,machine learning(ML)models were well trained to predict saturated magnetization(B_(s))of Fe-based MGs.GFA was treated as a feature using the experimental data of the supercooled liquid region(△T_(x)).Three ML algorithms,namely eXtreme gradient boosting(XGBoost),artificial neural networks(ANN)and random forest(RF),were studied.Through feature selection and hyperparameter tuning,XGBoost showed the best predictive performance on the randomly split test dataset with determination coefficient(R^(2))of 0.942,mean absolute percent error(MAPE)of 5.563%,and root mean squared error(RMSE)of 0.078 T.A variety of feature importance rankings derived by XGBoost models showed that T_(x) played an important role in the predictive performance of the models.This work showed the proposed ML method can simultaneously aggregate GFA and other features in ther-modynamics,kinetics and structures to predict the magnetic properties of Fe-based MGs with excellent accuracy.展开更多
The formation of bulk metallic glasses(BMGs) in the ternary Zr(56) Co(28-x)Al(16) and quaternary Zr(56) Co(28-x)CuxAl16(x=2, 4, 5, 6, 7, mole fraction, %) glassy alloys was investigated via the copper mo...The formation of bulk metallic glasses(BMGs) in the ternary Zr(56) Co(28-x)Al(16) and quaternary Zr(56) Co(28-x)CuxAl16(x=2, 4, 5, 6, 7, mole fraction, %) glassy alloys was investigated via the copper mold suction casting method. The main purpose of this work was to locate the optimal BMG-forming composition for the quaternary Zr Co(Cu)Al alloys and to improve the plasticity of the parent alloy. The X-ray diffractometry(XRD), transmission electron microscopy(TEM) and differential scanning calorimetry(DSC) were used to investigate the glassy alloys structure and their glass forming ability(GFA). In addition, the compression test, microhardness, nano-indentation and scanning electron microscopy(SEM) were utilized to discuss the possible mechanisms involved in the enhanced plasticity achievement. The highest GFA among Cu-containing alloys was found for the Zr(56) Co(22) Cu6 Al(16) alloy, which was similar to that of the base alloy. Furthermore, the plasticity of the base alloy increased significantly from 3.3% to 6% for the Zr(56) Co(22) Cu)6 Al(16) BMG. The variations in the plasticity and GFA of the alloys were discussed by considering the positive heat of mixing within Cu and Co elements.展开更多
The heredity of clusters in rapidly cooled(Zr_(50)Cu_(50))_(100-x)Al_x melts and its correlation with glass-forming ability(GFA)are studied via molecular dynamics simulations.Pair distribution function and the largest...The heredity of clusters in rapidly cooled(Zr_(50)Cu_(50))_(100-x)Al_x melts and its correlation with glass-forming ability(GFA)are studied via molecular dynamics simulations.Pair distribution function and the largest standard cluster(LSC)are adopted to characterize the local atomic structures in the(Zr_(50)Cu_(50))_(100-x)Al_(x)systems.The[12/555]icosahedra and their medium-range order(IMRO)play an important role in forming(Zr_(50)Cu_(50))_(100-x)Al_(x)metallic glasses(MGs).The fraction of[12/555],the number of IMRO,and the maximum size of IMRO in MGs increase significantly with increasing x.A tracking study further reveals that the configuration heredity of icosahedral clusters starts from supercooled liquids.No direct correlation exists between the GFA and the onset temperature of continuous or stated heredity.Instead,a larger hereditary supercooled degree of icosahedra matches with better GFA of Al-doped Zr_(50)Cu_(50)alloys.展开更多
As greater attention is paid to energy consumption and global warming, magnetic refrigeration (MR) technologies based on the magneto-caloric effect (MCE) have been developed. Systems based on MR are expected to be...As greater attention is paid to energy consumption and global warming, magnetic refrigeration (MR) technologies based on the magneto-caloric effect (MCE) have been developed. Systems based on MR are expected to be more compact, energy efficient, and environmentally safe compared with traditional vapor-cycle refrigeration technologies .展开更多
Based on the Cu-Zr-Ti ternary phase diagram,four sets of Cu-Zr-Ti multilayered films with various compositions of Cu20Zr36Ti44,Cu36Zr31Ti33,Cu49Zr24Ti27,and Cu67Zr16Ti17 were prepared and then the ion beam mixing was ...Based on the Cu-Zr-Ti ternary phase diagram,four sets of Cu-Zr-Ti multilayered films with various compositions of Cu20Zr36Ti44,Cu36Zr31Ti33,Cu49Zr24Ti27,and Cu67Zr16Ti17 were prepared and then the ion beam mixing was carried out.It turned out that the increase of Cu content doesn't always have a positive effect on the glass forming ability.The glass forming ability of Cu49Zr24Ti27 was degraded due to the appearance of a Cs Cl-type B2 structure Cu Zr phase in the eutectic region.The experimental observations justify the existence of the Cu Zr phase under the non-equilibrium condition.Possible formation mechanisms for the crystalline phase were also discussed in terms of the atomic collision theory.展开更多
基金Project(50371016) supported by the National Natural Science Foundation of ChinaProject(50611130629) supported by the International Cooperation and Exchange of the National Natural Science Foundation of China
文摘A series of rod samples with diameter of 3 mm(Zr0.55Al0.10Ni0.05Cu0.30)100-xFex(x=0,1,2,3,4) were prepared by magnetic suspend melting and copper mold suction casting method.The effects of a small amount of Fe on glass forming ability(GFA) and mechanical properties of Zr55Al10Ni5Cu30 bulk metallic glass(BMG) were investigated.The results show that the addition of an appropriate amount(less than 3%,mole fraction) of Fe enhances GFA,as indicated by the increase in the reduced glass transition temperature Trg(=Tg/Tl) and the parameter γ(=Tx/(Tg+Tl)) with increasing Fe content,and GFA gets deteriorated by further Fe addition(4%).The addition of Fe also effectively improves the compressive plasticity and increases the compressive fracture strength in these Zr-based BMGs.Compressive tests on BMG sample with 3 mm in diameter and 6 mm in length reveal work-hardening and a certain plastic strain in the alloy containing 2% Fe.The BMG composite containing 4% Fe also exhibits a high fracture strength along with significant plasticity.
基金This work was financially supported by the National Natural Science Foundation of China (No.50431030, 50671050)the Basic Science Research Foundation of Tsinghua University (No.091201107)the National Center for Nanoscience and Technology of China.
文摘Pd81Si19 amorphous alloys were prepared by combination methods of melt spinning and B2O3 flux treatment. A compari- son between the ribbons prepared from the fluxed ingots and the non-fluxed ones has been carried out. The result reveals that after fluxing treatment the glass transition temperature of the as-prepared glassy ribbons is reduced while the initial crystallization tem- perature is enhanced. It results in that the supercooled liquid region (defined as the difference between the initial crystallization tem- perature and the glass transition temperature) of the glassy alloy treated with fluxing technology has been increased from 31 to 42 K. This shows that fluxing technique can enhance the glass forming ability (GFA) of the binary alloy and improve the thermal stability of supercooled liquid of the glassy alloy.
基金supported by the National Natural Science Foundation of China (Grant No. 50972066)
文摘The influences of the addition of Ag on the glass forming ability (GFA) and corrosion behavior were investigated in the Mg-Ni-based alloy system by X-ray diffraction (XRD) and electrochemical polarization in 0.1 mol/L NaOH solution.Results shows that the GFA of the Mg-Ni-based BMGs can be improved dramatically by the addition of an appropriate amount of Ag;and the addition element Ag can improve the corrosion resistance of Mg-Ni-based bulk metallic glass.The large difference in atomic size and large negative mixing enthalpy in alloy system can contribute to the high GFA.The addition element Ag improves the forming speed and the stability of the passive film,which is helpful to decrease the passivation current density and to improve the corrosion resistance of Mg-Ni-based bulk metallic glass.
基金Project supported by the National Natural Science Foundation of China (50471052)Natural Science Foundation of Shandong Province (Z2004F02)
文摘The effects of microalloying of Ti and B on the glass formation of Cu60Pr30Ni10Al10-2xTixBx(x = 0, 0.05% (atom fraction)) amorphous alloys was investigated using differential scanning calorimetry (DSC) and X-ray diffraction (XRD). XRD analysis showed that mieroalloying with 0.05% Ti and 0.05% B improved the glass forming ability (GFA). The smaller difference in the Gibbs free energy between the liquid and crystalline states at the glass transition temperature (△G1-X(Tg)) and the smaller thermodynamic fragility index (△Sf/Tm, where ASf is the entropy of fusion, and Tm is the melting temperature) after mieroalloying correlated with the higher GFA.
文摘The thermodynamic model of multicomponent chemical short range order (MCSRO) was established in order to evaluate the glass forming ability (GFA) of ternary alloys. Comprehensive numerical calculations using MSCRO software were conducted to obtain the composition dependence of the MCSRO undercooling in Zr Ni Cu, Zr Si Cu and Pd Si Cu ternary systems. By the MCSRO undercooling principle, the composition range of Zr Ni Cu system with optimum GFA is determined to be 62.5 ~ 75 Zr, 5~ 20 Cu, 12.5 ~ 25 Ni ( n (Ni)/ n (Cu)=1~5). The TTT curves of Zr Ni Cu system were also calculated based on the MCSRO model. The critical cooling rates for Zr based alloy with deep MSCRO undercooling are estimated to be as low as 100?K/s, which is consistent with the practical cooling rate in the preparation of Zr based bulk metallic glass (BMG). The calculation also illustrates that the easy glass forming systems such as Pd based alloys exhibit an extraordinary deep MCSRO undercooling. It is shown that the thermodynamic model of MCSRO provides an effective method for the alloy designing of BMG.
文摘By a mean field theoretical computation,the equilibrium distributions of additional Ag and Al in the crystalline phase of CuZr-based alloys were determined to occupy the two sublattices of the B2 structure randomly.With the molecular dynamics technique,the effects of Ag and Al on the enthalpy difference(ΔH) between the supercooled melt and the crystalline phase were evaluated.The improved glass forming ability of Cu45Zr45Al10 and Cu45Zr45Ag10 can be attributed to their remarkably smaller ΔH than that of CuZr.The calculated diffusion coefficients are more sensitive to the atomic weight of the component atoms than to their interaction strength.As the component atom with the largest mass,the additional Ag increases the viscosity of the supercooled melt significantly and the experimentally stronger glass formation ability of Cu45Zr45Ag10 than Cu45Zr45Al10 can be well understood.
基金National Key R&D Program of China(Grant No.2017YFB0702404)National Natural Science Foundation of China(Grant Nos.51901212,51701192).
文摘Zr-based Bulk metallic glasses exhibit incredible corrosion resistance and glass forming ability,however,these properties need further enhancement to meet the practical use.In this study,Zr63Fe2.5Cu23Al11.5,a new type of Zr-based bulk metallic glass was fabricated.Potentiodynamic polarization techniques were used to measure the corrosion resistance of this alloy.Furthermore,crystallization behavior and kinetics of Zr63Fe2.5Cu23Al11.5 bulk metallic glass were investigated by using differential scanning calorimetry of non-isothermal model.Kissinger and Ozawa methods were used for calculating activation energies of crystallization and the mechanism of crystallization was analyzed by Johnson-Mehl-Avrami-Kolmogorow methods.The results suggest that this specified metallic glass system possesses a relatively high thermal stability and glass forming ability.Moreover,the crystallization procedure is mainly dominated by nucleation with an increasing rate.The study demonstrates that the slight composition adjustment of Zr-Fe-Cu-Al system bulk metallic glass can make a considerable contribution to higher glass forming and thermal stability as well as corrosion resistance.
文摘Nd55-x Al10+x Fe15 (x =0, 5, 10) bulk glass-forming alloys with distinct glass transition in differential scanning calorimetry (DSC) traces were obtained by suction casting, The glass forming ability (GFA) of the alloys was investigated. It was found that the reduced glass transition temperature (Trg) and the parameter γ of the alloys increased with the increasing concentration of Al. The glass formation enthalpy of the alloys was calculated based on Miedema's model, and it was suggested that the GFA of the alloys could be enhanced by the decrease of the glass formation enthalpy with Al additions.
文摘The glass forming ability (GFA), microstructure and magnetic property in (Nd60Al10Ni10)Cu20-xFex (0≤ x≤ 20) alloys were investigated by using X-ray diffraction (XRD), differential scanning calorimetry (DSC), high resolution transmission electron mi- croscopy (HRTEM) and magnetic property measurement. It is shown that the GFA of the alloys decreases with Fe content. The sam- ples for bulk cylinders with x≤10 show a distinct endothermic peak in the DSC traces due to a glass transition in the range of 421-438 K. With further increasing Fe, the glass transition is masked by the crystallization. The microstructure of the Nd-based alloy can change progressively from full glassy state into composite state with nanocrystalline particles in the glassy matrix indicating the glass forming ability degrades with increasing Fe. The average size of nanocrystals increases with Fe and the distribution changes from homogenous to heterogeneous. The magnetic property varies from paramagnetic to hard magnetic when the Fe content increases up to about 4at% indicating that the magnetic property is related to the metastable phases.
文摘Bulk metallic glasses(BMGs) with new chemical compositions(ZrCoAgAlNi) were fabricated and the effects of Ag minor addition on the glass forming ability(GFA) and crystallization kinetics were studied. The x-ray diffraction(XRD) test was applied to identify the amorphousness of BMGs or possible crystalline phases. Using differential scanning calorimeter(DSC), the thermal stability and crystallization kinetics under a non-isothermal condition at the different heating rates were studied. Considering the heating rate dependency of glass transition and crystallization kinetics, the activation energy was evaluated and measured for the mentioned processes. It was revealed that the rise in Ag content led to the decrease in activation energy for glass transition, while the activation energy for crystallization increased. The thermal stability and GFA were also studied and it was found that the Ag addition strongly affected the inherent features of BMGs. With the increase in Ag content, the atomic mobility and structural rearrangement changed in the material and consequently, the GFA and thermal stability were significantly improved.
基金Project supported by National Science Council, Taiwan, China (Grant No NSC 94-2216-E-110-010)post-doc sponsorship from National Science Council, Taiwan, China (Grant No NSC 95-2816-E-110-001)
文摘It has been confirmed that glass-forming ability (GFA) of supercooled liquids is related to not only liquid phase stability but also the crystallization resistance. In this paper, it is found that the liquid region interval (T1 - Tg) characterized by the normalized parameter of Tg/T1 could reflect the stability of glass-forming liquids at the equilibrium state, whilst the normalization of supercooled liquid region △Tx=(Tx - Tg), i.e. △Tx/Tx (wherein T1 is the liquidus temperature, Tg the glass transition temperature, and Tx the onset crystallization temperature) could indicate the crystallization resistance during glass formation. Thus, a new parameter, defined as ζ = Tg/T1+△Tx/Tx is established to predict the GFA of supercooled liquids. In comparison with other commonly used criteria, this parameter demonstrates a better statistical correlation with the GFA for various glass-forming systems including metallic glasses, oxide glasses and cryoprotectants.
文摘A new microstructure model is developed for amorphous alloys,so called Cluster medel, in which the amorphous phase is thought of composing of randomly distributed ordered clusters of different sizes.Thermodynamic calculation on this model deduces a parameter describing the glass forming ability of metallic alloys:α_c=(1-2.08/Φ_m)T_g/T_m,where T_g is gass transition temperature,T_m is the melting temperature,and Φ_m is entralpy change of melting.It is believed that easy glass forming alloy systems have larger values of a_c.This new criterion of GFA not only provides the theoretical background for several GFA criteria in the literature cited,but also can predict the GFA of many alloy systems more reasonably and accurately.
基金Funded by the National Natural Science Foundation of China (Grant Nos. 11074253,10874182 and 50803066)the Foundation of the Education Committee of Anhui Province,China (Grant Nos. KJ2010A031 and KJ2010A012)
文摘Molecular dynamics(MD) simulations were performed to investigate the glass forming ability(GFA) and microscopic structural properties of liquid Cu-Zr alloys.Based on the analysis of composition dependences of the reduced glass transition temperatures and the excess volume,we found that the Cu-Zr glasses have the largest GFA at Cu65Zr35 composition.To get more detailed information of local structure,we calculated the pair correlation functions,partial pair correlation functions,the excess entropy,chemical order parameter,coordination number,and Voronoi index of Cu-Zr liquids.We found that there exists an obvious and close relationship among the GFA,the excess entropy calculated using the total pair correlation functions,chemical order parameters,and some Cu centered cluster with Voronoi index <0,2,8,1> and Zr centered cluster with Voronoi index <0,3,6,4>,which all have nonlinear dependences on Cu/Zr concentration and have extreme values at liquid Cu65Zr35 composition.
文摘The glass forming ability (GFA) and thermodynamic properties of the La-AI-Cu-Co alloy system were investigated, and novel La-AI-Cu-Co bulk metallic glasses (BMGs) with a minimum critical diameter of 8 mm were fabricated. The differing GFAs were examined from a thermodynamic viewpoint. The GFA of the La-A1-Cu-Co alloys was well-correlated with the supercooled liq- uid region, ATx, and the parameter, 7; but not with the reduced glass transition temperature, Trg. In addition, the La62Al14Cu14Co8 BMG exhibited a high GFA, low glass transition temperature of 412 K, and broad supercooled liquid region of 70 K. These novel BMGs, which were fabricated from low-cost raw materials, had the potential to be used in various applications. The GFA of the pre- sent alloys exhibited a dependence on the relative number of AlqEo and AI-Cu atomic pairs, i.e., on the AI:Co and AI:Cu ratios, which were -2.3 and 0.85, respectively.
基金supported by the Award Fund for Outstanding Young Scientist in Shandong Province, China (No. BS2011CL004)
文摘Mg86.33Ni13.67-xYx(x=0, 1, 3, 6, 10) amorphous alloys were obtained by single-roller melt-spinning technique and the effect of Y addition on the glass forming ability(GFA), crystallization and micro-hardness of Mg-Ni alloys were studied. The results show that the GFA of Mg86.33Ni13.67-xYx(x=0, 1, 3, 6, 10) is improved successfully with the Y addition. The highest GFA appeares at x=6, while the reduced glass transition temperature (Trg) is 0.5225 and the supercooled liquid region(ΔTx) is 42.06 K; the position of the main diffraction halo is different for the alloys, and the maximum of the main diffraction halo of alloys with x=0, 1, 3 corresponds to the main peaks of a metastable fcc-Mg6Ni or fcc-Mg6Ni + Ni-Y intermetallic phases, and for the alloys with x=6, 10, it corresponds to Mg-Y and Ni-Y intermetallic phases; the micro-hardness of the alloys is improved with Y additions, and the highest micro-hardness is obtained at x=6 at.%, which is 960 MPa.
基金financially supported by National Natural Science Foundation of China(No.21771017)the Fundamental Research Funds for the Central Universities。
文摘Fe-based metallic glasses(MGs)have shown great commercial values due to their excellent soft magnetic properties.Magnetism prediction with consideration of glass forming ability(GFA)is of great signifi-cance for developing novel functional Fe-based MGs.However,theories or models established based on condensed matter physics exhibit limited accuracy and some exceptions.In this work,based on 618 Fe-based MGs samples collected from published works,machine learning(ML)models were well trained to predict saturated magnetization(B_(s))of Fe-based MGs.GFA was treated as a feature using the experimental data of the supercooled liquid region(△T_(x)).Three ML algorithms,namely eXtreme gradient boosting(XGBoost),artificial neural networks(ANN)and random forest(RF),were studied.Through feature selection and hyperparameter tuning,XGBoost showed the best predictive performance on the randomly split test dataset with determination coefficient(R^(2))of 0.942,mean absolute percent error(MAPE)of 5.563%,and root mean squared error(RMSE)of 0.078 T.A variety of feature importance rankings derived by XGBoost models showed that T_(x) played an important role in the predictive performance of the models.This work showed the proposed ML method can simultaneously aggregate GFA and other features in ther-modynamics,kinetics and structures to predict the magnetic properties of Fe-based MGs with excellent accuracy.
基金Iran University of Science and Technology for the financial support
文摘The formation of bulk metallic glasses(BMGs) in the ternary Zr(56) Co(28-x)Al(16) and quaternary Zr(56) Co(28-x)CuxAl16(x=2, 4, 5, 6, 7, mole fraction, %) glassy alloys was investigated via the copper mold suction casting method. The main purpose of this work was to locate the optimal BMG-forming composition for the quaternary Zr Co(Cu)Al alloys and to improve the plasticity of the parent alloy. The X-ray diffractometry(XRD), transmission electron microscopy(TEM) and differential scanning calorimetry(DSC) were used to investigate the glassy alloys structure and their glass forming ability(GFA). In addition, the compression test, microhardness, nano-indentation and scanning electron microscopy(SEM) were utilized to discuss the possible mechanisms involved in the enhanced plasticity achievement. The highest GFA among Cu-containing alloys was found for the Zr(56) Co(22) Cu6 Al(16) alloy, which was similar to that of the base alloy. Furthermore, the plasticity of the base alloy increased significantly from 3.3% to 6% for the Zr(56) Co(22) Cu)6 Al(16) BMG. The variations in the plasticity and GFA of the alloys were discussed by considering the positive heat of mixing within Cu and Co elements.
基金the National Natural Science Foundation of China(Grant No.51701071)the Natural Science Foundation of Hunan Province,China(Grant Nos.2018JJ3100 and 2018JJ2078)the Project of the Hunan Educational Department,China(Grant No.19B122)。
文摘The heredity of clusters in rapidly cooled(Zr_(50)Cu_(50))_(100-x)Al_x melts and its correlation with glass-forming ability(GFA)are studied via molecular dynamics simulations.Pair distribution function and the largest standard cluster(LSC)are adopted to characterize the local atomic structures in the(Zr_(50)Cu_(50))_(100-x)Al_(x)systems.The[12/555]icosahedra and their medium-range order(IMRO)play an important role in forming(Zr_(50)Cu_(50))_(100-x)Al_(x)metallic glasses(MGs).The fraction of[12/555],the number of IMRO,and the maximum size of IMRO in MGs increase significantly with increasing x.A tracking study further reveals that the configuration heredity of icosahedral clusters starts from supercooled liquids.No direct correlation exists between the GFA and the onset temperature of continuous or stated heredity.Instead,a larger hereditary supercooled degree of icosahedra matches with better GFA of Al-doped Zr_(50)Cu_(50)alloys.
基金supported by the National Natural Science Foundation of China(Grant Nos.51271103,and 51671119)
文摘As greater attention is paid to energy consumption and global warming, magnetic refrigeration (MR) technologies based on the magneto-caloric effect (MCE) have been developed. Systems based on MR are expected to be more compact, energy efficient, and environmentally safe compared with traditional vapor-cycle refrigeration technologies .
基金The National Natural Science Foundation of China(Grant No.51131003)The National Basic Research Program of China("973"Project)(Grant Nos.2011CB606301,2012CB825700)The Administration of Tsinghua University
文摘Based on the Cu-Zr-Ti ternary phase diagram,four sets of Cu-Zr-Ti multilayered films with various compositions of Cu20Zr36Ti44,Cu36Zr31Ti33,Cu49Zr24Ti27,and Cu67Zr16Ti17 were prepared and then the ion beam mixing was carried out.It turned out that the increase of Cu content doesn't always have a positive effect on the glass forming ability.The glass forming ability of Cu49Zr24Ti27 was degraded due to the appearance of a Cs Cl-type B2 structure Cu Zr phase in the eutectic region.The experimental observations justify the existence of the Cu Zr phase under the non-equilibrium condition.Possible formation mechanisms for the crystalline phase were also discussed in terms of the atomic collision theory.