Atomic packing and short-to-medium range order evolution of Zr-Pd metallic glass

A larger-scale Zr70Pd30 alloy system has been simulated using molecular dynamics (MD) to investigate structure evolution in Zr70Pd30 metallic glass. The simulated pair distribution function of Zr70Pd30 metallic glass agrees well with the experimental results. Voronoi polyhedron analysis indicates that the icosahedra are not randomly distributed in space,but form characteristic intercrossed icosahedral clusters with medium-range order. Intercrossed icosahedral clusters are the dominant local configurations i...     

Synthesis,structure and mechanical properties of Zr-Cu-based bulk metallic glass composites

The unusual glass-forming ability (GFA) of the Zr₄₈Cu₃₆Ag₈Al₈ alloy and the high ductility of the Zr₄₈Cu₃₆Ag₈Al₈ metallic glass-matrix composites containing Ta powder were reported. The bulk metallic glass rod with a diameter of 25 mm was successfully synthesized using copper mold casting for the Zr₄₈Cu₃₆Ag₈Al₈ alloy. High GFA of this alloy was found to be related to a large supercooled liquid region and a quaternary eutectic point with low melting temperature. The bulk metallic glass matrix composites were prepared by introducing extra Ta particles into the Zr₄₈Cu₃₆Ag₈Al₈ melt. The composites consist of Ta particles homogenously distributed in the Zr₄₈Cu₃₆Al₈Ag₈ metallic glass matrix. The optimum content of Ta powder is 10at% for the composite with the highest plasticity, which shows a plastic strain of 31%.     

Correlation between the glass-forming ability and activation energy of crystallization for Zr75−x Ni25Al x metallic glasses

The thermal stability and the kinetics of glass transition and crystallization for Zr_75?x Ni₂₅Al _x (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 Al content increasing; the activation energy of crystallization increases with Al changing from 8at% to 15at%, and then decreases with Al further up to 24at%, which exhibits a good correlation to the thermal stability and the glass-forming ability (GFA). The Zr₆₀Ni₂₅Al₁₅ 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.     

块状金属玻璃Zr55Cu30Al10Ni5的微压痕尺寸效应

基于Drucker-Prager屈服准则,建立了适用于描述压敏材料的低阶应变梯度塑性(CMSG)理论. 通过ABAQUS自定义材料子程序(UMAT),构造了CMSG理论本构计算的有限元格式,并对块状金属玻璃Zr₅₅Cu₃₀Al₁₀Ni₅的圆锥压痕实验响应进行了数值模拟分析. 计算结果与实验数据相吻合,表明该理论可以很好地描述金属玻璃的弹塑性行为. 在此基础上,研究了不同压深下的载荷位移曲线和硬度,计算结果显示该材料的硬度随着压痕深度的增大而减小,表明基于Drucker-Prager屈服准则的CMSG理论可以预测金属玻璃Zr₅₅Cu₃₀Al₁₀Ni₅在微米尺度下表现出来的尺寸效应现象. 此外,通过分析不同摩擦因数下材料的载荷位移曲线,表明摩擦力对该材料微压痕响应的影响可以忽略不计.     

Mechanical, deformation and fracture behaviors of bulk metallic glass composites reinforced by spherical B2 particles

Ti_(45)Cu_(40)Ni_7Zr_5Sn_(2.5)Si_(0.5) alloys were prepared under various cooling rate conditions during solidification.The alloys exhibited different volume fractions of B2 particles with 0～40 vol%in an amorphous matrix.Monolithic bulk metallic glass of 1 mm diameter showed no macroscopic plasticity and exhibited the typical vein patterns in a maximum shear stress plane on the fracture surface.However,a bulk metallic glass composite containing the B2 particles revealed obvious plasticity(～5.6%)with a remarkable work-hardening behavior that resulted from a stress-induced martensitic transformation of the B2 particles.Moreover,the composite displayed the complicated fracture morphologies containing of three types of fracture features.Through detailed investigations on the microstructural evolution,mechanical,deformation and fracture characteristics,the influence of B2 particle on overall behavior of the TiCu-based bulk metallic glass composites was elucidated.     

Stable structure of Zr49Cu44Al7 metallic glass matrix composite with CuZr phase under high pressure up to 40.8 GPa

Ternary Zr₄₉Cu₄₄Al₇ metallic glass matrix composite rods with CuZr nano-phase, exhibiting an elastic strain of 1.6% and a high strength of 1.78 GPa, have been manufactured. The structural evaluation of the ternary metallic glass matrix composite under high pressure has been investigated using angle dispersive X-ray diffraction with a synchrotron radiation source. The investigation shows that the amorphous matrix structure is stable under pressures up to 40.8 GPa at room temperature. No pressure induced CuZr nano-phase disappearing or growing was detected. According to the Bridgeman equation of state, the bulk modulus B ₀ =115.2 GPa has been obtained.     

Bulk metallic glass rings prepared by a modified water quenching method

Bulk metallic glass rings have the potential applications as annular gasket and active solder in special fields. The bulk metallic glass ring of Zr_1.2Ti_13.8Cu_12.5Ni_10.0Be_22.5 with the outer diameter, the inner diameter, and the thickness of 38, 36, and 5 mm, respectively, was prepared by using a special shaped quartz tube water quenching method. The mechanical properties along the whole cross section were investigated by a nanoindentation method, and no evident variation of the Young's modulus and hardness was found, further indicating the single amorphous structure. Amorphous ring and tube-shape parts with different dimensions can be produced by this method.     

Revisiting Al-Ni-Zr bulk metallic glasses using the ＇cluster-resonance＇ model

Six series of alloys,namely,Ni3Zr6Alx,Ni3Zr7Alx,Ni4Zr9Alx,Ni3Zr8Alx,Ni3Zr9Alx and Ni3Zr10Alx (x=1,1.5,2,3) were designed in this work and the bulk metallic glass (BMG) formation of these compositions was investigated by copper mold suction casting. A centimeter-scale BMG sample was obtained for the Ni4Zr9Al2 (Al13.3Ni26.7Zr60 in atomic percent) composition. The thermal glass parameters for this BMG were determined to be ΔTx = 68 K,Trg = 0.579,and γm = 0.689. Using the ’cluster-resonance’ model for glass formation an optimal BMG composition was determined using the cluster formula [Ni3Zr9](Al2Ni1).     

Pd–Ni–P metallic glass nanoparticles for nonenzymatic glucose sensing

Metallic glass nanoparticles hold great promise as nonenzymatic glucose sensors due to their rich low-coordinated active sites and high biocompatibility. However,their non-periodic atomic structure and unclear structure-property relationship pose significant challenges for realizing and optimizing their sensing performance. In this work, Pd–Ni–P metallic glass nanoparticles with variable compositions were successfully prepared as nonenzymatic glucose sensors via a laser-evaporated inertgas conde...     

Dendritic and spherical crystal reinforced metallic glass matrix composites

Zr-based bulk metallic glass matrix composites (BMGMCs) with a composition of Zr_60.0Ti_14.7Nb_5.3Cu_5.6Ni_4.4Be_10.0 (at%) were fabricated by an innovative process, i.e., semisolid processing plus Bridgman solidification. Different morphologies, distributions, and volume fractions of the crystalline phases can be achieved by tailoring the withdrawal velocity. The largest fracture strain of Zr_60.0Ti_14.7Nb_5.3Cu_5.6Ni_4.4Be_10.0(at%) composites with the withdrawal velocity of 1.0 mm/s was found to be 16.7%. The mechanism of plasticity improvement is mainly attributed to the interpenetrated structure of the crystalline phase, which greatly confines the rapid propagation of shear bands.     

Deformation induced structural evolution in bulk metallic glasses

The structural behavior of binary Cu50Zr50 and ternary Cu50Zr45Ti5 bulk metallic glasses (BMGs) under applied stress was investigated by means of in-situ high energy X-ray synchrotron diffraction. The components of the strain tensors were determined from the shifts of the maxima of the atomic pair correlation functions (PDF) in real space. The anisotropic atomic reorientation in the first-nearest-neighbor shell versus stress suggests structural rearrangements in short-range order. Within the plastic deformation range the overall strain of the metallic glass is equal to the yield strain. After unloading,the atomic structure returns to the stress-free state,and the short-range order is identical to that of the undeformed state. Plastic deformation,however,leads to localized shear bands whose contribution to the volume averaged diffraction pattern is too weak to be detected. A concordant region evidenced by the anisotropic component is activated to counterbalance the stress change due to the atomic bond reorientation in the first-nearest-neighbor shell. The size of the concordant region is an important factor dominating the yield strength and the plastic strain ability of the BMGs.     

Transitions of amorphouscrystalline-amorphous in bulk metallic glass under HP and HT

In-situ SR-XRD measurements revealed that the crystallization process in Zr₄₁.2Ti₁₃.8Cu_12.5Ni₁₀Be_22.5 bulk metallic glass is significantly different from that in traditional glasses. Subsequent heating at 10 GPa converts the sample from amorphous phase into the metastable fcc phase and then leads to the fcc phase back to the amorphous phase, indicating that there exists ‘reversible’ phase transition phenomena in the material under high pressure and high temperature.     

Rolling-induced microstructure change in Zr_（65）Al_（7.5）Ni_（10）Cu_（12.5）Ag_5 bulk metallic glass

The microstructures and free-volume evolutions of as-cast and pre-annealed Zr65Al7.5Ni10Cu12.5Ag5 bulk metallic glasses during rolling deformation have been investigated. No phase transformation is detected in the as-cast/rolled specimen. However,the structural stability of the glass against plastic deformation is worse after pre-annealing,indicated by nanocrystallization in preannealed/rolled specimens with large deformation degrees. Moreover,with increasing deformation degree,the free-volume content in a pre-annealed/rolled specimen increases at a lower average rate than that in an as-cast/rolled specimen.     

Effect of Ag addition on the thermal stability and glass-forming ability of Zr<Subscript>35</Subscript>Ti<Subscript>30</Subscript>Cu<Subscript>7.5</Subscript>Be<Subscript>27.5</Subscript> bulk metallic glass

The thermal stability and glass forming ability (GFA) of Zr35-xTi30Cu7.5Be27.5Agx (x = 0-10) alloys were studied by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and ultrasonic techniques. We found that the addition of 1 at.% Ag can considerably enhance the GFA as indicated by an increase in the critical glass dimension from 15 mm in the Zr35Ti30Cu7.5Be27.5 alloy to 20 mm in the Zr34Ti30Cu7.5Be27.5Ag1 alloy. However, with the addition of more Ag the supercooled liquid region (△Tx) and y parameter (defined as Tx/(Tg+Tl)) drastically decreased from 155 K and 0.436 to 76 K and 0.363, respectively, resulting in a decrease in the GFA. Additionally, the elastic constant (the ratio of shear modulus to bulk modulus or Poisson’s ratio) was also used as a gauge to evaluate the GFA in Zr35-xTi30Cu7.5Be27.5Agx alloys.     

Zr50Cu50金属玻璃形成过程中自由体积与玻璃态转变温度关系的分子动力学模拟

利用分子动力学模拟了Zr50Cu50金属玻璃的形成过程,并获得了不同温度下合金的原子构型.借助金属玻璃中自由体积量等于金属玻璃与对应晶体的体积差理论提出一种自由体积湮没速度法,对Zr50Cu50金属玻璃形成过程中的临界玻璃态转变温度Tc以及热力学玻璃态转变温度Tg进行预测.用该方法确定出的Tc(969.5K)与利用模式耦合理论计算获得的Tc(978.4K)接近;Tg(731K)与利用平均原子体积随温度变化关系曲线确定的Tg(725K)相近.运用自由体积湮没速度法计算的Tc和Tg无需计算各温度下的原子扩散系数,节省了计算时间.     

Effect of proton irradiation on structure relaxation of Zr<Subscript>41.5</Subscript>Ti<Subscript>14.9</Subscript>Cu<Subscript>12.6</Subscript>Ni<Subscript>10.5</Subscript>Be<Subscript>20.4</Subscript> bulk metallic glass

Effects of proton irradiation on structure re-laxation of Zr_(41.5)Ti_(14.9)Cu_(12.6)Ni_(10.5)Be_(20.4) bulk metallic glass areinvestigated by means of X-ray diffraction, differential scan-ning calorimetric and electronic resistance measurements.The results show that, at 203 K, the structure ofZr_(41.5)Ti_(14.9)Cu_(12.6)Ni_(10.5)Be_(20.4) bulk metal glass is relaxed obvi-ously by proton irradiation with the energy and the dosebeing of 160 keV and 1.65×10~(16) ions/cm~2, respectively. How-ever, Zr_(41 .5)Ti_(14.9)Cu_(12.6)Ni_(10.5)Be_(20.4) bulk metallic glass becomesmore steady amorphous state under two conditions, one isthat the energy and the dose are 160 keV and 1.1×10~(15)ions/cm~2, respectively. Another is that the energy and thedose are 120 keV and 6.5×10~(15) ions/cm~2, respectively.     

Compositional dependence of thermal and elastic properties of Cu-Ti-Zr-Ni bulk metallic glasses

Starting from the quaternary Cu₄₇Ti₃₄Zr₁₁Ni₈ alloy, the compositional dependence of thermal and elastic properties of Cu-Ti-Zr-Ni alloys was systematically investigated. Quaternary Cu-Ti-Zr-Ni alloys can be cast directly from the melt into copper molds to form fully amorphous strips or rods with the thickness of 3–6 mm. The evidence of the amorphous nature of the cast rods was provided by X-ray spectra. The measured glass transition temperature (T_g) and crystallization temperature (T_x) were obtained for the alloys using differential scanning calorimetry (DSC) at the heating rate of 20 K/s. In the results, the differences between the glass temperature and the crystallization temperature (ΔT_x=T_x-T_g) are measured with values ranging up to 33–55 K. The reduced glass transition temperature (T_rg), which is the ratio of the glass temperature to the liquidus temperature (T_l), is often used as an indication of the glass-forming ability of metallic alloys. For the present Cu-Ti-Zr-Ni alloys, this ratio is typically in the range of 0.5838–0.5959, characteristic of metallic alloys with good glass-forming ability. The elastic constants for several selected alloys were measured using ultrasonic methods. The values of the elastic shear modulus, bulk modulus, and Poisson’s ratio were also given.     

Room temperature plastic deformation behavior of ZrCuNiAl bulk metallic glasses

The Zr_62.55Cu_17.55Ni_9.9Al₁₀ bulk metallic glass (BMG) was prepared by using copper-mold suction-casting. X-ray diffraction and differential scanning calorimetry were utilized to determine its structure and thermal stability. Uniaxial compression and Rockwell indentation tests were adopted to study the plastic deformation behavior at room temperature. The results show that the glass transition temperature and the onset temperature of exothermic reaction of the BMG are 651.5 and 748 K, respectively. During the compression test, the BMGs undergo an engineering strain of about 2.5%, i.e., true strain of 2.8%, and then fracture. The BMGs deform via the formation and propagation of shear bands. Under indentation loading, the BMGs deform through the formation of radiation-like and circular shear bands. The circular shear bands form earlier than the radiation-like ones. The formation mechanism of shear bands in the BMGs was analyzed and discussed.     

Strain rate response of a Zr-based composite fabricated by Bridgman solidification

Zr_58.5Ti_14.3Nb_5.2Cu_6.1Ni_4.9Be_11.0 bulk metallic glass matrix composites, containing β-Zr dendrites, were fabricated by Bridgman solidification at the withdrawal velocity of 1.0 mm/s through a temperature gradient of ～45 K/mm. Subjected to the increasing compressive strain rates, the monotonic increasing and decreasing were obtained for the maximum strength and the fracture strain, respectively. The results show that high strain rate may induce the insufficient time for the interaction between shear bands and the crystalline phase, and early fracture occurs as a result. The fractographs are consistent with the mechanical properties, and the failure mode of the present Zr-based composites is in agreement with the frame of the ellipse criterion.     

Mechanism of Ag and Al on improving the glass forming ability of CuZr-based alloys

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 Cu₄₅Zr₄₅Al₁₀and 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.