Structural evolution during crystal nucleation in supercooled liquids with icosahedral short-range order

The structural evolution during crystal nucleation in supercooled Lennard–Jones liquids at a supercooling of 0.3T _m (T _m is the melting temperature) has been studied by molecular dynamic simulations. The icosahedral clusters are observed to compete with crystalline clusters in space, and rearrange before crystal nucleation. Both the stable face-centered-cubic and hexagonal-close-packed (hcp) structures and metastable body-centered-cubic (bcc) structures nucleate simultaneously, resulting in the formation of an incomplete bcc meso-layer in the nuclei. The nuclei form twinned crystal with five-fold axes through a successive twinning process bounded by planes with hcp atoms.     

Changes in microstructure near the R-phase transformation in Ti50Ni48Fe2 studied by in-situ electron microscopy

Microstructural changes associated with the martensitic transformation from cubic (parent phase) to trigonal (R phase) which occurs with decreasing temperature in Ti₅₀Ni₄₈Fe₂ have been intensively studied by in-situ electron microscopy. Although the parent phase shows a characteristic microstructure with small domains, which are due to lattice modulation as a precursor to the transformation, their temperature dependence is contrasted with that of domains which appear below the transformation temperature in the R phase. The observations convince us that there is an essential difference between the natures of the domains observed in each state, and also reveal the formation of peculiar antiphase-like boundaries within a needle-like variant of the R phase. We also estimate the approximate size of the R phase just after nucleation and compare this with a theoretical consideration on the size of nuclei in martensites.     

Effects of Ag and Pd on the nucleation and growth of the nano-icosahedral phase in Zr65Al7.5Ni10Cu7.5M10 (M = Ag or Pd) metallic glasses

The nucleation and growth of a nano-icosahedral phase from a supercooled liquid region of Zr₆₅Al_7.5Ni₁₀Cu_7.5M₁₀ (M = Ag or Pd) glasses have been examined by differential scanning calorimetry and transmission electron microscopy. The growth rate of the icosahedral phase is nearly constant at the initial stage and much slower than that of the Zr₂Ni phase in the Zr₆₅Al_7.5Ni₁₀Cu_17.5 metallic glass. The homogeneous nucleation rate has a maximum value of 4.4 x 10²⁰ m^-3 s^-1 at 695 K in the Zr₆₅Al_7.5Ni₁₀Cu_7.5Ag₁₀ glass, which is approximately 10² times higher than that for the formation of quasicrystalline phase in the Zr_69.5Al_7.5Ni₁₁Cu₁₂ glass and 10⁴ times higher than that of the Zr₂Ni phase in the Zr₆₅Al_7.5Ni₁₀Cu_17.5 glass. With increasing Pd content, the nucleation rate of the primary phase increases significantly and the growth rate decreases at the crystallization temperature. Thus, the addition of Ag and Pd is effective for an increase in the number of nucleation sites and the suppression of grain growth, which is the main reason for the formation of icosahedral nanoparticles. The significant increase in the nucleation rate is due to an increase in the number of nucleation sites resulting from the short-range ordering consisting of Zr-(Ag or Pd) strong pairs. It is implied that the strong pair Zr-(Ag or Pd) also contributes to the restraint of the long-range rearrangements of the constitutional elements. The formation of the nanoicosahedral phase suggests that icosahedral short-range order exists in the glassy state in the present alloys.     

Effect of heterogeneous solute distribution on the anomalous thermomechanical response of Cu–Ni alloy single crystals below 50 K

The anomalous temperature dependence of the critical resolved shear stress (CRSS) of Cu–Ni alloys observed below a certain temperature, T _o?=?50?K, has been accounted for by introducing a stress-concentration factor f(T)?=?[(T?′?+?T _o)/(T?′?+?T)] in the monotonic CRSS–T formulation of the kink-pair nucleation model of solid-solution hardening. The empirical constant T?′ is found to depend not only on the solute concentration, c, but also on the nature of the solute distribution in the host lattice. It is found that the solute distribution is random for c?≤?14 at.% Ni in the Cu lattice and for c?≤?20 at.% Cu in the Ni lattice, whereas some sort of local ordering occurs for all other values of solute concentration.     

Dislocation configurations in twin-free melt-textured YBa2Cu3O7 processed at high pressure and temperature

Melt-textured YBa₂Cu₃O₇ samples were deformed under high pressure–high temperature (HP–HT) conditions (P?=?2?GPa, T?=?900 and 800°C, t?=?15?min). During the HP–HT treatment, samples were in contact with annealed zirconia, preventing oxygen loss, in such a way that the orthorhombic superconductor phase was preserved at the end of the experiment. The deformed microstructure, investigated by transmitted electron microscopy, exhibited original features characterized by a very low twin density, a memory effect on the dislocations shape and a non-classical faulted loops distribution in the matrix. A mechanism, based on the interaction between twin and gliding dislocations, is proposed to explain the nucleation of these aligned loops.     

Melting point depression method for determining the solid–liquid interfacial energy of metal elements: theoretical validation and updated compilation of data

Comparative analyses of the crystal nucleation method and the melting point depression (MPD) method for measuring the solid–liquid interface energy γ_sl are carried out. The MPD method is found more reliable and has several advantages from experiment through data analysis to theoretical generalisation. The MPD data in use, all reported before the 1970s, are updated with the derived γ_sl re-compiled. Finally, by invoking a melting model that we developed recently, an equation for calculating γ_sl is proposed on basis of the melting point depression method.     

Kinetic study of hydrogen-induced direct phase transformation in Y2Fe17 magnetic alloy on the basis of Kolmogorov’s model

The kinetics of the hydrogen induced direct phase transformation in Y₂Fe₁₇ magnetic alloy has been analysed within the framework of Kolmogorov’s kinetic model. It is established that the transformation can be classified as a diffusion-controlled transformation, which occurs by a mechanism of nucleation and growth with a decreasing nucleation rate of new phases, namely α-Fe and YH₂. A kinetic equation has been obtained that well describes the isothermal kinetic curves of the phase transformation in Y₂Fe₁₇ as a function of the transformation temperature.     

Effects of temperature and electron energy on the electron-irradiation-induced decomposition of sapphire

The effects of temperature and electron energy on the electron-irradiation-induced decomposition of sapphire have been investigated by in situ transmission electron microscopy (TEM). It was found that the decomposition rate of α-Al₂O₃ increased with increasing irradiation temperature and decreased with increasing acceleration voltage. The core-hole Auger decay process (K–F model), rather than knock-on displacement, is responsible for the decomposition of α-Al₂O₃ under electron irradiation.     

Crystallization acceleration of amorphous Fe40Ni40P14B6 alloy by fluxing technique

The effect of fluxing on the structure and the crystallization of amorphous Fe₄₀Ni₄₀P₁₄B₆ alloy has been studied. Subjected to fluxing, the incubation time upon isothermal crystallization decreases, whereas, the onset crystallization temperature upon non-isothermal crystallization (with constant heating rate) decreases, and crystallization peaks become less sharp. via structural characterization, it is considered that fluxing promotes relaxation of the system; the atomic structure becomes more similar to the corresponding crystallized phase, thus alleviating the transient effect on nucleation and accelerates the crystallization.     

Determination of glass-forming ability of Ge1− x Sn x Se2.5 (0 ≤ x ≤ 0.5) alloys using differential scanning calorimetry

The glass-forming ability of Ge_{1? x} Sn _x Se_2.5 (0 ≤ x ≤ 0.5) alloys was studied using differential scanning calorimetry. Samples were scanned at different heating rates under non-isothermal conditions. Various simple quantitative methods were employed to assess the stability of the glassy materials in the above-mentioned system. All of these methods are based on characteristic temperatures, such as the glass-transition temperature, T _g, the onset-of-crystallization temperature, T _c, and the peak crystallization temperature, T _p. A crystallization rate factor, K, has also been used as a measure of the thermal stability of the glasses. It was found that Ge_0.7Sn_0.3Se_2.5 was the least stable among all the samples.     

Conduction-electron mediated 1H nuclear spin-lattice relaxation in Ti45Zr38Ni17H x icosahedral quasicrystals

Nuclear magnetic resonance spin-lattice relaxation rates for ¹H in quasicrystalline Ti₄₅Zr₃₈Ni₁₇H _x are presented as a function of temperature and hydrogen concentration x. The temperature dependence demonstrates that the relaxation is via interaction with conduction electrons. The relaxation rate is extremely sensitive to hydrogen content, with the rate changing by a factor of as much as two for samples that differ in x     

Ternary eutectic growth during directional solidification of Ag–Cu–Sb alloy

The directional solidification process of ternary Ag_42.4Cu_21.6Sb₃₆ eutectic alloy within a wide growth rate range from 2 to 60 μm/s was accomplished at a constant temperature gradient of 50 K/cm. As growth rate increases, the ternary (θ(Cu₂Sb) + ε(Ag₃Sb) + Sb) eutectic morphology evolves from “lamellar (θ + ε) plus fibrous (Sb)” structure into “(θ + Sb) fibres in continuous ε matrix” structure. The θ and (Sb) phase spacings decrease with the increase of growth rate according to power functions with exponent values of 0.55 and 0.56, respectively. It is also found that the microhardness of directionally solidified Ag_42.4Cu_21.6Sb₃₆ alloy samples is enhanced with the increase of growth rate, and the decrease of θ and (Sb) phase spacings.     

Electrical conductivity of Nd and Ce co-doped Gd2Zr2O7 ceramics

In this study, (Gd_{1? x} Nd _x )₂(Zr_{1? x} Ce _x )₂O₇ (0 ≤ x ≤ 0.5) ceramics have been prepared by pressureless sintering at 1973 K to investigate the influence of Nd and Ce co-doping on their electrical conductivity. The electrical conductivity of the ceramics was investigated by impedance spectroscopy measurements from 723 to 1173 K over the frequency range of 20 Hz to 2 MHz in air. The measured values obey the Arrhenius relation. For each composition, the grain conductivity gradually increases with increasing temperature from 723 to 1173 K. At a given temperature, it gradually decreases with increasing neodymium and cerium contents from x = 0 to 0.3; thereafter, the grain conductivity exhibits a slight increase with further increasing neodymium and cerium contents up to x = 0.5.     

Investigating the Effects of a Persuasive Digital Game on Immersion,Identification, and Willingness to Help

Abstract

Recent years have seen a tremendous rise in the development and distribution of persuasive games: digital games that are used to influence players’ attitudes and/or behavior. Three studies (N_{Study 1}?=?134; N_{Study 2}?=?94; N_{Study 3}?=?161) tested the effects of a persuasive game on immersion, identification, and willingness to help. The results showed that playing the persuasive game did not result in substantially stronger willingness to help, relative to the control conditions. Video and printed text resulted in more immersion than the digital game, but playing the game resulted in substantially higher perceptions of embodied presence.     

Thermal stability and glass-forming ability of Se80− x Te20Ag x (x = 0, 3, 5, 7 and 9) chalcogenide glasses

The thermal stability and glass-forming ability (GFA) of Se_{80? x} Te₂₀Ag _x (x?=?0,?3,?5,?7 and 9) chalcogenide glasses have been investigated using differential scanning calorimetry (DSC). The DSC runs have been taken at five different heating rates (10, 20, 30, 40 and 50?K/min) under non-isothermal condition. The thermal stability and GFA are monitored through determination of the temperature difference ΔT?=?T _c???T _g, where T _c is the onset crystallization temperature, T _g is the glass transition temperature, H ^l is the stability parameter, ΔH _c is the enthalpy released during crystallization and F _i is the fragility index. The activation energy of crystallization E _c and crystallization rate factor K have also been determined as indicators of the thermal stability of the above-mentioned samples. It is found that Se₇₁Te₂₀Ag₉ is the most stable among all the samples of the series.     

Characterization of PLZT ceramics modified by isovalent (Ba,Sr), donor (Nb) and acceptor (Zn) dopants for piezoelectric applications

This article describes the influence of microstructure on the dielectric and piezoelectric properties of isovalent- donor- and acceptor-modified lead lanthanum zirconium titanate (PLZT) ceramics. The ceramic compositions, with formula: [Pb_0.954La_0.016Ba_0.01Sr_0.02][Zr_0.525Ti_0.475]_{0.981?( m /2)}Nb_0.012Zn _m O₃ where m =?0, 0.2, 0.4, 0.6, 0.8 and 1.0 mol% Zn, were synthesized via a solid-state reaction method. X-ray diffraction studies are supported by tolerance factor and electronegativity difference measurements. Scanning electron microscopy studies reveal grain growth enhancement with increase of Zn concentration. As the Zn concentration increased from 0 to 0.8 mol%, the room-temperature dielectric constant increased while the Curie temperature decreased continuously. An increase in the Zn content had the most significant effect on the piezoelectric properties. The optimum piezoelectric properties were observed for 1 mol% Zn composition.     

Temperature dependence of the low-cycle fatigue behaviour of a Cu-SiO2 bicrystal with a [011], 18° twist boundary

The temperature dependence of the low-cycle fatigue behaviour of a Cu bicrystal containing dispersed SiO₂ particles and having a [011], 18° twist boundary has been studied. Failure occurred at shorter times with increasing temperature and stress amplitude. Crack nucleation took place at the particles' surfaces on the grain boundary where slip lines intersected. The crack tended to propagate along primary slip lines and this tendency became stronger as the temperature was increased.     

Low-temperature mechanical properties of Ce68Al10Cu20Co2 bulk metallic glass

Although it is well known that traditional metals and alloys will become brittle at low temperatures, the effect of low temperature on the mechanical properties of bulk metallic glasses (BMGs) is yet to be fully understood. In this research, the mechanical properties of Ce₆₈Al₁₀Cu₂₀Co₂ BMG are investigated at low temperatures. It is found that the yield strength of the Ce-based BMG increases significantly with the decrease of temperature. The elastic moduli of the BMG also increase monotonically with the drop of temperature, indicating the continuous stiffening of the BMG, while both Poisson's ratio and global plasticity decline at low temperatures. It is considered that the stiffer atomic bonds of the Ce-based BMG at low temperatures result in the increase of strength, and the higher energy required for nucleation of shear bands also leads to the increase in yield strength.     

Thermal-equilibrium processes and electronic transport in undoped hydrogenated amorphous silicon

Abstract

The temperature and time dependence of the d.c. conductivity of undoped hydrogenated amorphous silicon is presented. Measurements of the electronic transport are reported, with particular emphasis on the effects of annealing and cooling the samples. Two regimes of behaviour are observed. When samples are rapidly cooled from 200°C below a temperature T _E～145°C a non-equilibrium dark conductivity, higher than that corresponding to slow cooling, is observed. The electronic and atomic structure then slowly relax and the time dependence of the excess conductivity is well described by a stretched exponential function. The second regime above T _E corresponds to a relaxation time short compared to experimental times and the conductivity is independent of which order the annealing temperature is chosen. Thus the thermal equilibrium processes observed in undoped samples are qualitatively very similar to those observed in doped samples as recently reported in the literature.     

Interfacial defects in YBa2Cu3O7-δ/SrTiO3(0 0 1) heterostructures studied by aberration-corrected ultrahigh-resolution electron microscopy

The microstructure of interfacial defects in YBa₂Cu₃O_7-δ/SrTiO₃(0?0?1) heterostructures has been investigated by aberration-corrected ultrahigh-resolution electron microscopy. We determine that c-axis-oriented YBa₂Cu₃O_7-δ thin films epitaxially grow on SrTiO₃(0?0?1) with two types of interface structure. The coalescence of nucleation sites with different types of interface structure leads to the formation of antiphase domain boundaries in YBa₂Cu₃O_7-δ thin films, which terminate at planar faults with different configurations near the interface. Stand-off misfit dislocations are observed and the dislocation core structure is explored. Based on the interface structure and interfacial defects, the initial growth mode of YBa₂Cu₃O_7-δ thin films on SrTiO₃(0?0?1) is discussed.