Pressure dependence of the superconducting state parameters of metallic glass superconductor Mg70Zn30

Explicit expressions have been derived for the volume dependence of electron-phonon coupling strength (λ) and the Coulomb pseudopotential (μ^*) considering the variation of Fermi momentum (κ _F) and Debye temperature (θ _D) with volume. Ashcroft’s model pseudopotential and RPA form of dielectric screening have been used for obtaining pressure dependence of transition temperature (T _C) and the logarithmic volume derivative (Φ) of the effective interaction strength (N ₀ V) for metallic glass superconductor Mg₇₀Zn₃₀. It has been observed that T _C of the metallic glass Mg₇₀Zn₃₀ decreases rapidly with increase of pressure and the superconducting phase disappears at about 30% decrease of volume, for which the μ^* curve shows a minimum and an elbow is formed in the Φ graph.     

Superconducting state parameters of CuCZr100-C metallic glasses

The theoretical investigation of the superconducting state parameters (SSP) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _c, isotope effect exponent α and effective interaction strength N ₀ V of ten Cu _C Zr_100−C metallic glasses have been reported using Ashcroft’s empty core (EMC) model potential. Three local field correction functions proposed by Hartree (H), Taylor (T) and Ichimaru-Utsumi (IU) are used in the current investigation to study the screening influence on the aforesaid properties. It is observed that the electron-phonon coupling strength λ and the transition temperature T _C are quite sensitive to the selection of the local field correction functions, whereas the Coulomb pseudopotential μ*, isotope effect exponent α and effective interaction strength N ₀ V show weak dependences on local field correction functions. The T _c obtained from IU-local field correction function are found an excellent agreement with available theoretical or experimental data. Also, the present results are found in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in metallic glasses.      

Pressure dependence of the superconducting state parameters of a binary Ca<Subscript>70</Subscript>Mg<Subscript>30</Subscript> metallic glass superconductor

Theoretical computation of the pressure dependence of superconducting state parameters of a binary Ca₇₀Mg₃₀ metallic glass has been performed using the model potential formalism. Explicit expressions have been derived for the volume dependence of the electron-phonon coupling strength λ and the Coulomb pseudopotential μ*, considering the variation of the Fermi momentum k _F and Debye temperature θ_D with volume. Well-known Ashcroft’s empty core model pseudopotential and five different types of the local-field correction functions, namely, Hartree, Taylor, Ichimaru-Utsumi, Farid et al. and Sarkar et al. have been used for obtaining pressure dependence of transition temperature T _C and the logarithmic volume derivative Φ of the effective interaction strength N ₀ V for the metallic glass superconductor. It has been obtained that T _C of Ca₇₀Mg₃₀ metallic glass decreases rapidly with increasing pressure up to 60% decrease in the volume, for which the μ* and Φ curves show a linear nature. The superconducting phase disappears at about 60% decrease in the volume.     

Superconducting state parameters of binary metallic glasses

Ashcroft’s empty core (EMC) model potential is used to study the superconducting state parameters (SSPs) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _C , isotope effect exponent αand effective interaction strength N _O V of some binary metallic glasses based on the superconducting (S), conditional superconducting (S’) and non-superconducting (NS) elements of the periodic table. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used for the first time with EMC potential in the present investigation to study the screening influence on the aforesaid properties. The T _C obtained from the H-local field correction function are in excellent agreement with available theoretical or experimental data. In the present computation, the use of the pseudo-alloy-atom model (PAA) was proposed and found successful. Present work results are in qualitative agreement with such earlier reported experimental values which confirm the superconducting phase in all metallic glasses. A strong dependency of the SSPs of the metallic glasses on the valence ‘Z’ is identified.      

Study of superconducting state parameters of amorphous metals by a pseudopotential theory

The theoretical computation of the superconducting state parameters (SSP) viz; electron-phonon coupling strength λ, Coulomb pseudopotential μ ^*, transition temperature T _c , isotope effect exponent α and effective interaction strength N _O V of some monovalent (Cu and Au), divalent (Ca, Sr, Ba, αHg, βHg and Ra) and polyvalent (Lu, Rh, Sc, Y, La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Ac, Th, Hf, Ru, Os, Ir, V, Ta, Pa, Cr, Mo, U, Re, Np and Pu) amorphous metals based on the different groups of the periodic table have been carried out for the first time using the well known Ashcroft’s empty core (EMC) model pseudopotential. Herein, we have employed five different types of local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) to study the exchange and correlation effects on the present investigations. A very strong influence of all the exchange and correlation functions have been observed in the present study. Our results are in fair agreement with documented theoretical as well as experimental data. A strong dependency of the SSP of amorphous metals on the valency Z was found.      

A pseudopotential approach to the superconducting state properties of Cu<Subscript>C</Subscript>Zr<Subscript>100-C</Subscript> binary metallic glasses

The theoretical investigation of the superconducting state properties viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _C, isotope effect exponent α and effective interaction strength N ₀ V of ten binary Cu_CZr_100-C (C = 25–60 at%) metallic glasses is performed, using Ashcroft’s empty core model potential. Five local-field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used to study the screening influence on the aforesaid properties. It is shown that the electronphonon coupling strength λ and the transition temperature T _C are quite sensitive to the selection of the local-field correction functions, whereas the Coulomb pseudopotential μ*, isotope effect exponent α and effective interaction strength N ₀ V show a weak dependence on the local-field correction functions. The values of T _C obtained from the H-local-field correction function are found to be in qualitative agreement with available theoretical or experimental data and show almost linear behavior with respect to the concentration C of Cu. The present results are shown to be in good agreement with other available theoretical or experimental data. The obtained results confirm the existence of the superconducting phase in the metallic glasses.     

Superconducting state parameters of La<Subscript>100-<Emphasis Type="Italic">C</Emphasis></Subscript>Ga<Subscript><Emphasis Type="Italic">C</Emphasis></Subscript> binary metallic glasses

The theoretical investigations of the superconducting state parameters (SSP) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _C , isotope effect exponent α and effective interaction strength N _O V of six binary La_100-C Ga _C (C = 16, 20, 22, 24, 26 and 28 at. %) metallic glasses have been reported using Ashcroft’s empty core (EMC) model potential for the first time. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used in the present investigation to study the screening influence on the aforesaid properties. It is observed that the electron-phonon coupling strength λ and the transition temperature T _C are quite sensitive to the selection of the local field correction functions, whereas the Coulomb pseudopotential μ*, isotope effect exponent α and effective interaction strength N _O V show weak dependences on the local field correction functions. The T _C obtained from H-local field correction function are found in qualitative agreement with available experimental data and show almost linear nature with the concentration (C) of ‘Ga’ element. A linear T _C equation is proposed by fitting the present outcomes for H-local field correction function, which is in conformity with other results for the experimental data. Also, the present results are found to be in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in the metallic glasses.      

Superconducting state parameters of indium-based binary alloys

Our well-recognized pseudopotential is used to investigate the superconducting state parameters viz: electron-phonon coupling strength λ. Coulomb pseudopotential μ*, transition temperature T _c, isotope effective exponent α and interaction strength N ₀ V for the In_1−x Zn _x and In_1−x Sn _x binary alloys. We have incorporated six different types of local field correction functions, proposed by Hartree, Taylor, Vashistha-Singwi, Ichimaru-Utsumi, Farid et al and Sarkar et al to show the effect of exchange and correlation on the aforesaid properties. Very strong influence of the various exchange and correlation functions is concluded from the present study. The comparison with other such theoretical values is encouraging, which confirms the applicability of our model potential in explaining the superconducting state parameters of binary mixture.     

Screening-dependent superconducting state parameters of transition metals-based binary alloys

Study of the screening-dependent superconducting state parameters, namely, electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _C , isotope effect exponent α, and effective interaction strength N ₀ V of 3d-transition metals-based binary alloys is made extensively using a model potential. A considerable influence of different exchange and correlation functions on λ and μ* is found. The obtained results are in qualitative agreement with the available experimental data wherever exist.     

Phonon spectra of Zn and Cd using a model pseudopotential approach

Recently Animalu has developed a model potential approach to study the electronic properties of transition metals. We have applied the transition metal model potential (TMMP) of Animalu in the local approximation to derive the phonon dispersion curves of Zn and Cd alongΓA,ΓM andΓKM symmetry directions. Our results differ widely from the experimental data. Further we have added the non-local contribution to the dynamical matrix following the scheme of Eschrig and Wonn and found the resuits comparable to the measured ones.     

永磁性Pr55Al12Fe30Cu3 大块金属玻璃

报道一个新的Pr55Al12Fe30Cu3 大块金属玻璃.采用铜模吸铸法制备了直径为5 mm、长度达100 mm的Pr55Al12Fe30Cu3 大块金属玻璃.差示扫描量热分析结果表明在该Pr基大块金属玻璃体系具有宽达64 K左右的过冷液相区，而且该合金呈非晶态时的熔化温度要比相应晶态样品的熔化温度高约140 K.磁滞回线测量表明非晶态Pr55Al12Fe30Cu3 块体合金在室温下呈现永磁特性，而完全晶化后样品在室温下呈现软磁特性. 关键词： 大块金属玻璃 玻璃转变 晶化 永磁性     

Ca70Mg30金属玻璃形成过程热力学、 动力学和结构特性转变机理的模拟研究

采用分子动力学方法对Ca₇₀Mg₃₀合金快速凝固玻璃形成过程进行了计算机模拟, 深入分析了液-固玻璃转变过程热力学、 动力学和结构特性的转变机理, 对不同方法所确立的玻璃转变温度之间的关系进行了探讨. 结果表明: 本模拟计算所获得的Ca₇₀Mg₃₀金属玻璃的结构因子和玻璃转变温度均与实验结果符合, 而且二十面体局域结构对Ca₇₀Mg₃₀金属玻璃的形成起决定性作用. 由于周围原子形成的瞬时"笼子效应", 过冷液体动力学特性逐渐偏离Arrhenius规律而满足模态耦合理论的幂指数规律. 动力学玻璃转变温度接近于微观结构玻璃转变温度, 但高于热力学玻璃转变温度; 而且它们与理想动力学玻璃转变温度之间满足Odagaki关系.     

Isothermal crystallization in Ce70Ga6Cu24 bulk metallic glass

The isothermal crystallization behaviors in a newly developed CeGaCu bulk metallic glass have been investigated through the classic differential scanning calorimeter(DSC) method. It is found that the apparent activation energy(Ea) strongly depends on the fraction(x) of isothermal crystallization. Johnson-Mehl-Avrami(JMA) formula was used to analyze the mechanism of crystallization and the obtained Avrami exponent(n) was discovered to show an obvious correlation with the crystallization fraction x. With the help of the relation between Ea and n, the nucleation and growth activation energies, En and Eg, were estimated to be 214–304 kJ/mol and 91 kJ/mol, respectively. This result suggests that the main energy barrier against crystallization in the present glass should be the nucleation of nucleates, rather than the growth of crystals. Such a large En is also believed to be responsible for the good glass forming ability of the CeGaCu alloy.     

Giant enhancement of magnetocaloric effect in metallic glass matrix composite

The magnetocaloric effect (MCE) has made great success in very low temperature refrigeration, which is highly desirable for application to the extended higher temperature range. Here we report the giant enhancement of MCE in the metallic glass composite. The large magnetic refrigerant capacity (RC) up to 103 J·kg⁻¹ is more than double the RC of the well-known crystalline magnetic refrigerant compound Gd₅Si₂Ge_1.9Fe_0.1 (357 J·kg⁻¹) and MnFeP_0.45As_0.55 (390 J·kg⁻¹)(containing either exorbitant-cost Ge or poisonous As). The full width at half maximum of the magnetic entropy change (ΔS _m) peak almost spreads over the whole low-temperature range (from 303 to 30 K), which is five times wider than that of the Gd₅Si₂Ge_1.9Fe_0.1 and pure Gd. The maximum ΔSm approaches a nearly constant value in a wide temperature span over 100 K, and however, such a broad table-like region near room temperature has seldom been found in alloys and compounds. In combination with the intrinsic amorphous nature, the metallic glass composite may be potential for the ideal Ericsson-cycle magnetic refrigeration over a broad temperature range near room temperature. Supported by the National Natural Science Foundation of China (grant Nos. 50621061 and 50731008) and the National Basic Research Program of China (973 Program) (Grant No. 2007CB613904)     

亚微米尺度金属玻璃的拉伸塑性

文章介绍了在透射电镜中原位拉伸亚微米尺度单相锆基金属玻璃的实验设计和研究进展.研究表明,金属玻璃呈现明显的样品尺寸效应,微观尺度样品不仅表现出稳定可控的形变行为,而且具有良好的拉伸塑性.小尺寸金属玻璃具有良好拉伸塑性的发现,不仅有助于深入理解金属玻璃室温形变的本质,也揭示了金属玻璃在薄膜和微器件中的潜在应用价值.     

Study of superconducting state parameters of alkali–alkali binary alloys by a pseudopotential

A detailed study of the superconducting state parameters (SSP) viz. electron–phonon coupling strength λ, Coulomb pseudopotential μ^*, transition temperature T_C, isotope effect exponent and effective interaction strength N_OV of ten alkali–alkali binary alloys i.e. Li_1−xNa_x, Li_1−xK_x, Li_1−xRb_x, Li_1−xCs_x, Na_1−xK_x, Na_1−xRb_x, Na_1−xCs_x, K_1−xRb_x, K_1−xCs_x and Rb_1−xCs_x are made within the framework of the model potential formalism and employing the pseudo-alloy-atom (PAA) model for the first time. We use the Ashcroft’s empty core (EMC) model potential for evaluating the superconducting properties of alkali alloys. Five different forms of local field correction functions viz. Hartree (H), Taylor (T), Ichimaru–Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used to incorporate the exchange and correlation effects. A considerable influence of various exchange and correlation functions on λ and μ^* is found from the present study. Reasonable agreement with the theoretical values of the SSP of pure components is found (corresponding to the concentration x = 0 or 1). It is also concluded that nature of the SSP strongly depends on the value of the atomic volume Ω₀ of alkali–alkali binary alloys.     

Compressive fracture characteristics of Zr-based bulk metallic glass

The compressive fracture characteristics of Zr-based bulk metallic glass under uniaxial compression tests are studied.The zigzag rheological behavior is observed in the compression stress-strain curves of amorphous alloys.At room temperature the uniaxial compression fracture takes place along the plane which is at a 45-degree angle to the direction of the compressive stress.The microstructure of a typical fracture pattern is the vein network.A unique,finger-like vein pattern is found to exist at the fractur...     

Empirical pseudopotential band structure parameters of 4H-SiC using a genetic algorithm fitting routine

In this paper, the viability of using a genetic algorithm to find band structure parameters for empirical pseudopotential method (EPM) calculations is demonstrated by applying a genetic algorithm to find the EPM parameters for 4H-SiC. The form of the pseudopotential for 4H-SiC and the 19 form factors found by the genetic algorithm to fit the band structure to experimentally measured indirect energy gap and direct optical gaps are given. In addition, the effective masses for the conduction band minimum are extracted from the calculated band structure. It is shown that the genetic algorithm provides an effective, automated way to find parameters that give reasonably good fits to both the band gaps and the effective masses simultaneously.     

非晶合金结构演变影响玻璃形成能力的分子动力学研究

通过分子动力学方法模拟了Ti75Al25、Ni50Zr50和Cu50Zr50非晶合金的玻璃转变过程, 得到并分析了平均原子体积和双体分布函数等结构参数, 并应用Voronoi多面体指数分析法统计了玻璃转变过程中二十面体及类二十面体团簇的数量, 通过分析团簇在玻璃转变过程中种类和数量的涨落趋势, 研究了非晶原子由短程序连接至中程序再至长程无序的动力学演化过程. 结果表明, 非晶合金的玻璃形成能力以及塑性变形能力与动力学演化过程中Voronoi团簇的种类和数量密切相关. 在玻璃转变过程中局部五次对称性高的团簇倾向于连接在一起形成链,从而密排整个空间, 降低系统的动力学行为从而提高玻璃形成能力. 塑性形变倾向于发生在局部五次对称性较低的区域. 在玻璃转变温度附近团簇种类和数量的突变反映出非晶合金的自组织临界行为, 蕴含着丰富的非线性动力学现象.     

基于分数阶微分流变模型的非晶合金黏弹性行为及流变本构参数研究

近年来, 基于非晶合金名义弹性区的流变力学行为探索其结构及形变机理是非晶合金领域研究的热点之一. 本文根据非晶合金结构不均匀性的特征, 提出能够比拟树状分形网络结构的分数阶微分流变模型研究非晶合金的黏弹性行为. 通过室温纳米压痕实验, 对三种不同泊松比和玻璃化转变温度的非晶合金的黏弹性变形行为进行了研究. 实验结果表明: 在表观弹性区, 非晶合金的变形表现出与加载速率相关的线性黏弹性性质. 根据Riemann-Liouville分数阶微积分定义, 分别由分数阶微分及整数阶Kelvin模型对实验结果进行了分析. 分析结果表明, 相对于整数阶流变模型, 分数阶微分流变模型能更精细地表征材料的黏弹性变形特征; 在流变模型参数中, 黏性系数η_A和分数阶次α反映出材料的流变特性和流动趋势, 流变参数与玻璃转变温度、泊松比之间具有较好的相关性, 上述相关性有助于从微观结构角度理解材料塑性与泊松比的关联.