Universal basis underlying temperature, pressure and size induced dynamical evolution in metallic glass-forming liquids

The dramatic temperature-dependence of liquids dynamics has attracted considerable scientific interests and efforts in the past decades, but the physics of which remains elusive. In addition to temperature, some other parameters, such as pressure, loading and size, can also tune the liquid dynamics and induce glass transition, which makes the situation more complicated. Here, we performed molecular dynamics simulations for Ni_(50)Zr_(50) bulk liquid and nanodroplet to study the dynamics evolution in the complex multivariate phase space, especially along the isotherm with the change of pressure or droplet size. It is found that the short-time Debye–Waller factor universally determines the long-time relaxation dynamics no matter how the temperature, pressure or size changes. The basic correlation even holds at the local atomic scale. This finding provides general understanding of the microscopic mechanism of dynamic arrest and dynamic heterogeneity.

Effects of rare-earth elements on the glass-forming ability and mechanical properties of Cu_(46)Zr_(47-x)Al_7M_x(M = Ce,Pr,Tb,and Gd) bulk metallic glasses

Cu46Zr47-xA17Mx （M = Ce, Pr, Tb, and Gd） bulk metallic glassy （BMG） alloys were prepared by copper-mold vacuum suction casting. The effects of rare-earth elements on the glass-forming ability （GFA）, thermal stability, and mechanical properties of Cu46Zr47-xA17Mx were investigated. The GFA of Cu46Zr47-xA17Mx （M = Ce, Pr） alloys is dependent on the content of Ce and Pr, and the optimal content is 4 at.%. Cu46Zr47-xA17Thx（X = 2, 4, and 5） amorphous alloys with a diameter of 5 mm can be prepared. The GFA of Cu46Zr47-xA17Gdx（x = 2, 4, and 5） increases with increasing Gd. Tx and Tp of all decrease. Tg is dependent on the rare-earth element and its content. ATx for most of these alloys decreases except the Cu46Zra2Al7Gd5 alloy. The activation energies △Eg, △Ex, and △Ep for the Cu46Zr42A17Gd5 BMG alloy with Kissinger equations are 340.7, 211.3, and 211.3 kJ/mol, respectively. These values with Ozawa equations are 334.8, 210.3, and 210.3 kJ/mol, respec- tively. The Cu46Zr45Al7Tb2 alloy presents the highest microhardness, Hv 590, while the Cu46Zr43A17Pr4 alloy presents the least, Hv 479. The compressive strength （at.f.） of the Cu46Zra3A17Gd4 BMG alloy is higher than that of the Cu46Zr43Al7Tb4 BMG alloy.

Measurement scheme to detect α relaxation time of glass-forming liquid

A measurement scheme for detecting theαrelaxation time(τ)of glass-forming liquid is proposed,which is based on the measured ionic conductivity of the liquid doped with probing ions by low-and middle-frequency dielectric spectroscopy and according to the Nernst-Einstein,Stokes-Einstein,and Maxwell equations.The obtainedτvalues of glycerol and propylene carbonate by the scheme are consistent with those obtained by traditional dielectric spectroscopy,which confirms its reliability and accuracy.Moreover,theτof 1,2-propanediol in a larger temperature range is compared with existing data.

Glass-forming Ability and Chemical Stability of Magneto-optical Glass Heavily Doped with Rare Earth Oxide

The glass-forming region of B2O3-Al2O3-SiO2 （BAS） glass heavily doped with rare earth oxides was investigated by an effective method, and the chemical stability was investigated by powder method. Influences of rare earth oxides on the glass-forming ability and the chemical stability of the BAS glass were also discussed. The experimental results show that the BAS glass-forming region expands firstly with the increase of the Tb2O3 content up to 30mol% and then shrinks. The acid-resistant capacity of the BAS glass doped with rare earth oxides is the lowest, the water-resistant capacity is secondary, and the alkali-resistant capacity is the best. Besides, the glass chemical stability can be improved by doping appropriate amount of rare earth oxides. Moreover, the stronger the ionic polarization ability of the rare earth ions is, the better the chemical stability of the BAS glass will be.

Formation and thermal stability of Cu-Zr-Al-Er bulk metallic glasses with high glass-forming ability

The formation and thermal stabilities of Cu46.25Zr46.25xAl7.5Erx (x=0 to 8) bulk metallic glasses (BMGs) were investigated. The addition of a small amount of Er (2at%) for replacing Zr effectively improves the glass-forming ability of Cu46.25Zr46.25Al7.5 alloy, and the glassy rod with a diameter of at least 12 mm can be formed. The glass transition temperature (Tg), temperature interval of su- percooled liquid region △Tx (=Tx-Tg), and reduced glass transition temperature Trg (=Tg/Tl) of Cu46.25Zr44.25Al7.5Er2 glassy alloy are 699 K, 62 K and 0.607, respectively.

Formation and Mechanical Properties of Zr-Nb-Cu-Ni-Al-Lu Bulk Glassy Alloys with Superior Glass-Forming Ability

Glass-forming ability（GFA） and mechanical properties of（Zr_（0.58）Nb_（0.03）Cu_（0.16）Ni_（0.13）Al_（0.10））_（100-x）Lu_x（x= 0-3 at%） alloys have been investigated.The GFA of Zr_（58）Nb_3Cu_（16）Ni_（13）Al_（10） alloy is dramatically enhanced by adding Lu.The（Zr_（0.58）Nb_（0.03）Cu_（0.16）Ni_（0.13）Al_（0.10））_（98）Lu_2 alloy possesses the highest GFA in the studied Zr-Nb-Cu-Ni-Al-Lu alloys,with its critical diameter for glass formation reaching 20 mm by copper-mould casting method,while that of the Lu-free Zr_（58）Nb_3Cu_（16）Ni_（13）Al_（10） alloy is 7 mm.The critical diameters of（Zr_（0.58）Nb_（0.03）Cu_（0.16）Ni_（0.13）Al_（0.10））_（100-x）Lu_x（x =1 at%and 3 at%） alloys are 15 mm and 12 mm,respectively.The Lu addition to Zr_（58）Nb_3Cu_（16）Ni_（13）Al_（10） alloy induces the change of initial crystallization phases from face-centred-cubic Zr_2Ni and tetragonal Zr_2Ni phases for the Lu-free Zr_（58）Nb_3Cu_（16）Ni_（13）Al_（10） alloy to an icosahedral quasi-crystalline phase for the Lu-doped alloys,which may be the origin for the enhanced GFA of the Lu-doped alloys.The compressive fracture strength and plastic strain of the bulk glassy（Zr_（0.58）Nb_（0.03）Cu_（0.16）Ni_（0.13）Al_（0.10））_（98）Lu_2 alloy are1 610 MPa and 1.5%,respectively.

Correlation between the glass-forming ability and activation energy of crystallization for Zr_(75-x)Ni_(25)Al_x metallic glasses

The thermal stability and the kinetics of glass transition and crystallization for Zr75-xNi25Alx （x = 8-15） metallic glasses were investigated using differential scanning calorimetry （DSC） under continuous heating conditions. The apparent activation energy of glass transition rises monotonously with the A1 content increasing; the activation energy of crystallization increases with A1 changing from 8at% to 15at%, and then decreases with A1 further up to 24at%, which exhibits a good correlation to the thermal stability and the glass-forming ability （GFA）. The Zr60Ni25A115 metallic glass with the largest supercooled liquid region and GFA possesses the highest activation energy of crystallization. The relation between the thermal stability, GFA and activation energy of crystallization was discussed in terms of the primary precipitated phases.

New criterion in predicting glass forming ability of various glass-forming systems

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.

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.

Non-monotonic temperature evolution of nonlocal structure–dynamics correlation in CuZr glass-forming liquids

The structure–dynamics correlations in a nonlocal manner were investigated in CuZr metallic glass-forming liquids via classical molecular dynamics simulations.A spatial coarse-graining approach was employed to incorporate the nonlocal structural information of given structural order parameters in the structure–dynamics relationship.It is found that the correlation between structure order parameters and dynamics increases with increasing coarse-graining length and has a characteristic length scale.Moreover,the characteristic correlation length exhibits a non-monotonic temperature evolution as temperature approaches glass transition temperature,which is not sensitive to the considered structure order parameters.Our results unveil a striking change in the structure–dynamics correlation,which involves no fitting theoretical interpretation.These findings provide new insight into the structure–dynamics correlation in glass transition.

Vaporization and Thermodynamics of Glass-Forming Oxide Melts: Mass Spectrometric Study and Modeling

Information on the vaporization processes and thermodynamic properties of glass-forming oxide melts in the systems MgO-B2O3-SiO2, CaO-B2O3-SiO2, SrO-B2O3-SiO2, BaO-B2O3-SiO2, PbO-B2O3-SiO2, CdO-B2O3-SiO2, ZnO-B2O3-SiO2, Bi2O3-B2O3-SiO2 and Bi2O3-GeO2-SiO2 together with the earlier obtained data is discussed. These data were obtained by high-temperature mass spectrometric method. Various types of vapor species were found over oxide systems studied such as the associated, dissociated and polymerized products of vaporization. The regularities of the vaporization of the binary and multicomponent glass-forming oxide melts were illustrated and discussed from the point of view of the acid-base concept. Results on determination of thermodynamic functions in oxide systems were considered taking into account the main requirements for the confirmation of their reliability. The generalized lattice theory of associated solutions was used for the calculation of thermodynamic properties of the ternary silicate melts studied. Using this approach the different levels of deviations from the ideality in the melts under investigation were clarified. The relative numbers of bonds of various types formed in the melts considered were also calculated based on the generalized lattice theory of associated solutions.

Effect of Al Addition on the Glass-Forming Ability and Magnetic Properties of a Gd-Co Binary Amorphous Alloy

The glass-forming ability （CFA） and magnetic properties of the Cd50 Co50-based amorphous alloy with AI addition substitution for Co are investigated. It is found that the CFA and magneto-caloric effect of the Gd50Co45Al5 amorphous alloy are better than Cd50Co50 amorphous alloy. The maximum magnetic entropy change （-△ Sm^peak） and the magnetic refrigerant capacity- of the amorphous alloy under a field of 5 T are about 6.64 J·kg^-1 K^-1 and 764 J·kg^-1, respectively. The field dependence of magnetic entropy change meets the one predicted by the mean field theory, which is investigated for a better understanding of the magneto-caloric behaviors of the Gdso Co45Al5 amorphous alloy.

Effect of Y element on atomic structure, glass forming ability,and magnetic properties of FeBC alloy

The atomic structure of amorphous alloys plays a crucial role in determining both their glass-forming ability and magnetic properties. In this study, we investigate the influence of adding the Y element on the glass-forming ability and magnetic properties of Fe_(86-x)Y_xB_7C_7(x = 0, 5, 10 at.%) amorphous alloys via both experiments and ab initio molecular dynamics simulations. Furthermore, we explore the correlation between local atomic structures and properties. Our results demonstrate that an increased Y content in the alloys leads to a higher proportion of icosahedral clusters, which can potentially enhance both glass-forming ability and thermal stability. These findings have been experimentally validated. The analysis of the electron energy density and magnetic moment of the alloy reveals that the addition of Y leads to hybridization between Y-4d and Fe-3d orbitals, resulting in a reduction in ferromagnetic coupling between Fe atoms. This subsequently reduces the magnetic moment of Fe atoms as well as the total magnetic moment of the system, which is consistent with experimental results. The results could help understand the relationship between atomic structure and magnetic property,and providing valuable insights for enhancing the performance of metallic glasses in industrial applications.

Investigating the Potential of Quasi-One-Dimensional Organic Crystals of TTT(TCNQ)2 for Thermoelectric Applications

The purpose of this paper is to present the results of investigations on quasi-one-dimensional organic crystals of tetrathiotetracene-tetracyanoquinodi- methane (TTT(TCNQ)2) from the prospective of thermoelectric applications. The calculations were performed after analytical expressions, obtained in the frame of a physical model, more detailed than the model presented earlier by authors. The main Hamiltonian of the model includes the electronic and phonon part, electron-phonon interactions and the impurity scattering term. In order to estimate the electric charge transport between the molecular chains, the physical model was upgraded to the so-called three-dimen- sional (3D) physical model. Numeric computations were performed to determine the electrical conductivity, Seebeck coefficient, thermal conductivity, thermoelectric power factor and thermoelectric figure-of-merit as a function on charge carrier concentrations, temperatures and impurity concentrations. A detailed analysis of charge-lattice interaction, consisting of the exploration of the Peierls structural transition in TCNQ molecular chains of TTT(TCNQ)2 was performed. As result, the critical transition temperature was determined. The dispersion of renormalized phonons was examined in detail.

Effect of niobium on glass-formation ability and soft magnetic properties of Gd-doping glassy alloys

The effect of niobium on glass-formation ability and soft magnetic properties were studied in Fe-Gd-B glassy alloys. The glassy alloys exhibited high glass-formation ability when the element of Nb was added. Bulk glassy rod （Fe0.87Co0.13）68.5Gd3.5Nb3B25 with a diameter up to 3 mm was produced by copper mold casting. The size of the atom might play an important role in increasing glass-formation ability. The coercive force of glassy （Fe0.87Co0.13）71.5.xGd3.sNbxB25 （x=1.2, 1.5, 2, 2.5, 3, 4） alloys decreased after the addition of niobium element and was in the range of 1.5-2.9 A/m. The permeability spectrum of （Fe0.87Co0.13）70.3Gd3.5Nb1.5B25 glassy ribbon showed that the relaxation frequency （f0） was 6.1 MHz.

Effects of Cu,Fe and Co addition on the glass-forming ability and mechanical properties of Zr-Al-Ni bulk metallic glasses

The thermal stability,glass-forming ability(GFA) and mechanical properties of Zr60Al15Ni25xTMx(TM = Cu,Fe and Co,x = 0-10) bulk metallic glasses(BMGs) were systematically investigated.Additional 5-10 at.% Cu greatly enhances the thermal stability and GFA of the base alloy.Zr60Al15Ni15Cu10 BMG exhibits the largest supercooled liquid region of 104 K and critical diameter of 18 mm.However,addition of 5-10 at.% Fe or Co decrease the thermal stability and GFA.In addition,the plasticity of the BMG can be improved by adding of Cu,while the strength is decreased slightly.Zr60Al15Ni20Cu5 BMG has the largest plastic strain of 5.5% with a yield stress of 1755 MPa and Young's modulus of 83 GPa.Addition of Co brings an increase of strength but a lower of plasticity,and additional Fe reduces the strength and plasticity simultaneously.

A Group of Cu(Zr)-based BMGs with Critical Diameter in the Range of 12 to 18 mm

A group of Cu（Zr）-based bulk metallic glasses （BMGs） with critical diameter （De） in the 12 to 18 mm range have been obtained using copper mould casting. In the Cu-Zr-Y-Al quaternary system, a new record of Dc=14 mm was established for Cu-based compositions, and 16 mm for compositions based on equi-atomic CuZr. Additional partial substitution of Hf for Zr further elevated the Dc to 18 mm at Cu42Zr43Hf1.5Y3.5Al10.

Glass-forming ability and corrosion performance of Mn-doped Mg-Zn-Ca amorphous alloys for biomedical applications

In the present work, ribbon and 2-mm rod samples of Mg-Zn-Ca-Mn alloys were prepared by meltspinning and copper mold injection methods, respectively. Effects of Mn doping on glass-forming ability and corrosion performance in simulated body fluid of Mg65Zn30Ca5 alloy were studied through X-ray diffraction, scanning electron microscopy, differential scanning calorimeter, and electrochemical and immersion tests. Results show that with the Mn addition increasing, all the ribbon samples are completely in amorphous state. However, the microstructure of 2-mm rod samples transfers from fully amorphous for the Mn-free alloy to almost polycrystalline state with precipitated Mg, Mn, and MgZn phases. Glass-forming ability of Mg65Zn30Ca5 alloy is decreased by Mn addition. Results of electrochemical and immersion tests demon- strate that the Mn-doped samples exhibit more negative corrosion potential and larger corrosion current density, suggesting that the corrosion resistance decreases with doping amount of Mn element increasing.

Effects of Mo additions on the glass-forming ability and magnetic properties of bulk amorphous Fe-C-Si-B-P-Mo alloys

Glass formation, mechanical and magnetic properties of the Fe76-xC7.0Si3.3B5.0P8.7Mox (x=0, 1 at.%, 3 at.% and 5 at.%) alloys prepared using an industrial Fe-P master alloy have been studied. With the substitution of Mo for Fe, glass-forming ability (GFA) was significantly enhanced and fully amorphous rods with a diameter of up to 5 mm were produced in the alloy with 3% Mo. The Mo-containing amorphous alloys also exhibited high fracture strength of 3635–3881 MPa and excellent magnetic properties including a high saturation magnetization of 1.10–1.41 T, a high Curie temperature and a low coercive force. The unique combination of high GFA, high fracture strength and excellent magnetic properties make the newly developed bulk metallic glasses viable for practical engineering applications.

Crystallization Behaviour and Mechanical Properties of Zr_(65)Cu_(18)Ni_9Al_8 Bulk Metallic Glass

Designing and synthesis of cost effective bulk metallic glasses （BMGs） has been of considerable interest during the last decade so that they can be made commercially viable. Among these, Zr-based BMGs have been reported extensively due to their attractive properties, An alloy having composition Zr65Cu18Ni9A18 was designed and synthesized using 2-3 N pure materials by Cu mould casting. The alloy was characterized by X- ray diffraction （XRD）, scanning electron microscopy （SEM）, energy dispersive X-ray spectroscopy （EDS） and high temperature differential scanning calorimetry （DSC）. Thermal parameters like supercooled liquid region △Tx, reduced glass transition temperature Trg, γ and δ parameters were evaluated. Mechanical properties like microhardness, nanohardness, elastic modulus and fracture strength were measured. The alloy showed wide supercooled liquid region of 129＋1 K with improved thermal stability. The alloy has considerable fracture strength along with fair amount of ductility.