Effect of plastic deformation on the electronic properties of the Cu<Subscript>60</Subscript>Pd<Subscript>40</Subscript> alloy

The effect of severe plastic deformation by torsion under Bridgman anvil pressure (SPDT) on the electrical, magnetic, and optical properties of the Cu₆₀Pd₄₀ alloy was studied. It is shown that, after the alloy is disordered, the Curie-Weiss constants of the paramagnetic component are changed insignificantly. In this case, the temperature-independent negative component of the magnetic susceptibility decreases more than fivefold. The electrical resistance and negative thermopower, on the contrary, increase severalfold as a result of SPDT. The character of the optical conductivity is discussed using the band structure calculation results.     

Microstructure,phase transformations,and properties of a Cu<Subscript>3</Subscript>Pd alloy subjected to severe plastic deformation

The structure of a preliminary ordered Cu₃Pd alloy, both with layered and columnar periodic structures, subjected to severe plastic deformation with twist extrusion with subsequent annealing, has been investigated using transmission electron microscopy; X-ray diffraction; and measurements of the resistance, magnetic susceptibility, and microhardness. The purpose of this study is the formation of nano-and submicrocrystalline structures in this alloy in order to improve the strength properties, with conservation of the ordered state determining the high conductivity of the alloy.     

Effect of severe plastic deformation on the properties of the Pt<Subscript>3</Subscript>Fe antiferromagnet

The effect of atomic disordering on the magnetic, electrical, and optical properties of the Pt_74.1Fe_25.9alloy close in composition to the stoichiometric Pt₃Fe alloy has been studied. It has been shown that, as a result of severe plastic torsional deformation under high pressure, the alloy transforms from the antiferromagnetic state (T _N=164 K) into the ferromagnetic state (T _C≈400 K). In this case, the residual electrical resistivity increases by a factor of more than two and the thermopower changes its sign from positive to negative. The results of the studies of the optical conductivity agree with the previously calculated electronic spectra of the atomically ordered and disordered Pt₃Fe alloys in the range of interband transitions and with the obtained data on the electrical properties in the infrared range.     

Dendritic and eutectic growth in Sb<Subscript>60</Subscript>Ag<Subscript>20</Subscript>Cu<Subscript>20</Subscript> ternary alloy

The rapid solidification of Sb60Ag20Cu20 ternary alloy was realized by high undercooling method, and the maximum undercooling is up to 142 K (0.18TL). Within the wide undercooling range of 40-142 K, the solidified microstructures are composed of (Sb), θand ε phases. High undercooling enlarges the solute solubility of (Sb) phase, which causes its crystal lattice to expand and its crystal lattice constants to increase. Primary (Sb) phase grows in two modes at small undercoolings non-faceted dendrite growth is the main growth form; whereas at large undercoolings faceted dendrite growth takes the dominant place. The remarkable difference of crystal structures between (Sb) and θphases leads to (θ Sb) pseudobinary eutectic hard to form, whereas strips of θform when the alloy melt reaches the (θ Sb) pseudobinary eutectic line. The cooperative growth of θand ε phases contributes to the formation of (ε θ) pseudobinary eutectic easily. In addition, the crystallization route has been determined via microstructural characteristic analysis and DSC experiment.     

Nanocrystallization of an amorphous Fe<Subscript>80</Subscript>B<Subscript>20</Subscript> alloy during severe plastic deformation

The structural evolution of an amorphous Fe₈₀B₂₀ alloy subjected to severe plastic deformation at room temperature or at 200°C was studied. Deformation leads to the formation of α-Fe nanocrystals in an amorphous phase. After room-temperature deformation, nanocrystals are localized in shear bands. After deformation at 200°C, the nanocrystal distribution over the alloy is more uniform. Possible causes of the crystallization of the amorphous phase during severe plastic deformation are discussed.     

Effect of plastic deformation on physical properties and structure of the shape memory alloy Ti<Subscript>49.5</Subscript>Ni<Subscript>50.5</Subscript>

The effect of severe plastic deformation by torsion (SPDT) in Bridgman anvils at a high pressure (6 GPa) on the physical properties and crystal structure of the shape memory alloy Ti_49.5Ni_50.5 has been studied. The behavior of the thermal expansion, electrical resistivity, absolute differential thermopower, Hall coefficient, magnetic properties, and optical characteristics of the amorphous/nanocrystalline and submicrocrystalline alloys obtained by the SPDT with subsequent heat treatment at 800 K has been discussed.     

Optical and electronic properties of heusler Cu<Subscript>2</Subscript>MnAl alloy with shape memory effect

A ferromagnetic Heusler Cu₂MnAl alloy with a shape memory effect has been studied in the wide spectral region of 0.25–2.80 μm (0.44–5.35 eV) at room temperature using spectral ellipsometry methods. Dispersion dependences for optical constants n(hν) and κ(hν), dielectric permeability ε(hν), and optical conductivity σ(hν), which is proportional to the interband density of electronic states, have been analyzed. Optical conductivity spectra have been calculated by mathematical modeling based on data for the electronic state densities in both subbands of electrons with spins oriented along and against the magnetization direction. A model of indirect transitions based on the Berglund–Spicer formula has been shown to describe the experimental spectrum only in general terms. The main contribution to the conductivity in the high-frequency spectral region is due to direct transitions of electrons in the vicinities of L, X, and Γ points of the Brillouin zone coupled with Cu atoms whereas low-energy anomalies in the absorption spectrum σ(hν) are caused by electrons coupled with Mn and Al atoms.     

Effect of a constant magnetic field on the structure and physical-mechanical properties of Cu<Subscript>57</Subscript>Be<Subscript>43</Subscript> alloy

The work presents data on the microhardness, average grain size, lattice parameters, and phase composition of Cu₅₇Be₄₃ metal alloy, annealed at a temperature of ~350°С for 1 h in a constant magnetic field with the intensity ranging from 80.0 to 557.0 kA/m. The main observed regularities of changes in the structure and properties of the material during annealing in a constant magnetic field and without it are formulated.     

Vibrational and electronic properties of a Cu<Subscript>90</Subscript>Nb<Subscript>10</Subscript> nanocrystalline composite

The vibrational, electronic, and superconducting properties of a Cu₉₀Nb₁₀ nanocrystalline composite undergoing a transition from a coarse-grained state to a nanocrystalline state are investigated using neutron scattering and low-temperature heat capacity measurements. It is found that, compared to a coarse-grained sample, the nanocomposite is characterized by a higher density of low-frequency excitations and a decrease both in the density of states and in the superconducting transition temperature due to the size effect.     

Effect of pressure on the structure and the electronic properties of LiClO4, NaClO<Subscript>4</Subscript>, KClO<Subscript>4</Subscript>, and NH<Subscript>4</Subscript>ClO<Subscript>4</Subscript>

The effect of pressure on the structural and electronic properties of lithium, sodium, potassium, and ammonium perchlorates have been studied in terms of the density functional theory with allowance for the Van der Waals dispersion interaction. The pressure dependences of the geometric parameters, the band gaps, the densities of states, the charge distributions, and the atomic charges are calculated. The compressibilities of the perchlorates are found to be anisotropic, which is due to the differences of the lattice parameters and the nature of interatomic bonds. Ammonium cation is rotated under pressure around axis b at an angle of ~9°. The band gaps of the perchlorates are ~4.5–4.7 eV and increase with pressure.     

Ab initio study of thermoelectric properties of Cu<Subscript>3</Subscript>PSe<Subscript>4</Subscript> and Cu<Subscript>3</Subscript>PS<Subscript>4</Subscript>: alternative materials for thermoelectric applications

This letter discusses the thermoelectric properties of Cu₃PSe₄ and Cu₃PS₄ compounds, using the Ab initio calculations. These compounds are predicted to be good thermoelectric materials thanks to the nature of their band edge states. Seebeck coefficient of Cu₃PSe₄ exhibits a maximum value of 1256 µV/K at roopm temperature, whereas it is 2389 µV/K for Cu₃PS₄. Furthermore, the electrical conductivity is significantly enhanced with doping level while the electronic thermal conductivity is weakly increased. Besides, the factor of merit of these compounds shows a value around the unity only at low doping levels. Hence, this predicts that these compounds may present excellent thermoelectric properties, therefore they could be considered as alternatives for thermoelectric applications.     

Serrated deformation of a Pd<Subscript>40</Subscript>Cu<Subscript>30</Subscript>Ni<Subscript>10</Subscript>P<Subscript>20</Subscript> bulk amorphous alloy during nanoindentation

Depth-sensing (indentation) testing is used to study the characteristics of a serrated plastic flow in a Pd₄₀Cu₃₀Ni₁₀P₂₀ bulk amorphous alloy, and the boundaries between the regions of serrated and homogeneous plastic deformation are determined.     

Effect of nanocrystallization on the mechanical and magnetic properties of finemet-type alloy (Fe<Subscript>78.5</Subscript>Si<Subscript>13.5</Subscript>B<Subscript>9</Subscript>Nb<Subscript>3</Subscript>Cu<Subscript>1</Subscript>)

The kinetics of primary crystallization and the effect of structural parameters of the precipitating nanocrystalline α-phase Fe-Si on changes in microhardness, coercive force, and saturation magnetization in an amorphous Finemet-type 5BDSR alloy (Fe_78.5Si_13.5B₉Nb₃Cu₁) obtained by melt quenching are studied. It is found that both an increase in bulk density and an increase in the average nanoparticle size contribute to the hardening of the amorphous/nanocrystalline alloy.     

Molecular-dynamics study of the Ni<Subscript>60</Subscript>Ag<Subscript>40</Subscript> binary alloy glass transition

Features in the evolution of the atomic structure of the Ni₆₀Ag₄₀ alloy upon quenching from a liquid disordered state were revealed within the molecular-dynamics method using many-particle potentials of interatomic interaction, calculated within the embedded atom method. It was shown that the structural stabilization of the amorphous Ni₆₀Ag₄₀ phase during the glass transition occurs due to the formation of a percolation cluster of interpenetrating and contacting icosahedra with nickel and silver atoms at vertices and preferentially nickel atoms at centers.     

Ion transfer in solid solutions of Cu<Subscript>2</Subscript>Se and Ag<Subscript>2</Subscript>Se superionic conductors

The cationic conductivities of Cu₂Se and Ag₂Se superionic conductor solid solutions in the composition region from Cu₂Se to Cu_0.7Ag_1.3Se are measured. It is demonstrated that the activation energy of ionic conduction depends only slightly on the chemical composition, varies from 0.14 to 0.17 eV, and exhibits a weakly pronounced maximum for the Ag_0.44Cu_1.56Se solid solution. The ionic Seebeck coefficients are measured for the Ag_0.23Cu_1.757Se solid solution. The heat of cation transfer in this solution is found to be equal to 0.144±0.014 eV from the Seebeck coefficients.     

Effect of atomic disordering and iron admixture on the structure and properties of the Cu<Subscript>3</Subscript>Pd alloy

It is shown that the periodic antiphase domain structure of the Cu₃Pd alloy disappears as a result of disordering and doping with iron. The observed changes in the electrical, optical, and magnetic properties indicate an insignificant reconstruction of the electronic spectrum near the Fermi level as a result of the alloy disordering and a more significant reconstruction due to doping with iron.     

Stability of gold cages (Au<Subscript>16</Subscript> and Au<Subscript>17</Subscript>) at finite temperature

We have employed ab initio molecular dynamics to investigate the stability of the smallest gold cages, namely Au₁₆ and Au₁₇, at finite temperatures. First, we obtain the ground state structure along with at least 50 distinct isomers for both the clusters. This is followed by the finite temperature simulations of these clusters. Each cluster is maintained at 12 different temperatures for a time period of at least 150 ps. Thus, the total simulation time is of the order of 2.4 ns for each cluster. We observe that the cages are stable at least up to 850 K. Although both clusters melt around the same temperature, i.e. around 900 K, Au₁₇ shows a peak in the heat capacity curve in contrast to the broad peak seen for Au₁₆.      

Fine-grained structure and properties of a Ni<Subscript>2</Subscript>MnIn alloy after a settling plastic deformation

The structure and properties of a polycrystalline Ni–Mn–In Heusler alloy have been studied after a plastic deformation by upsetting. An analysis of points of a martensitic and magnetic phase transformations shows that the martensite transformation takes place at temperatures lower than the Curie point. At high temperatures in the range 930–1110 K the alloy undergoes the phase transformation of ordered phase L2₁ to disordered phase B2, and the melting temperature of the alloy is 1245 K. The flow curves of the alloy cylindrical samples at temperatures 773, 873, and 973 K have been built. An analysis of the alloy microstructure after upsetting at a temperature of 773 K leads to the conclusion that many macrocracks are initiated in the sample. The treatment at 873 and 973 K causes a fragmentation of the grains with grain sizes from several to several dozen micrometers. However, the upsetting at 873 K leads to insignificant scatter in the grain sizes, and the microstructure is more homogeneous and worked out.     

Effect of severe plastic deformation and ultrarapid quenching on the properties of magnetic shape memory alloys near the Ni<Subscript>2</Subscript>MnGa composition

The effect of ultrarapid quenching from melt and subsequent severe plastic deformation by torsion in Bridgman anvils on the temperatures of martensitic (T _M) and magnetic (T _C ) phase transitions in magnetic shape memory alloys has been investigated. The features of the crystal structure and magnetic, electric, and optical properties of Ni₂MnGa-based alloys with different degrees of structural ordering are discussed. The effect of doping with copper and cobalt on the properties of nonstoichiometric Ni₅₀Mn_28.5Ga_21.5 alloy is considered.