A computational study of ion-implanted beryllium diffusion in gallium arsenide

The diffusion of implanted beryllium in gallium arsenide at 100 keV for doses of 1 × 10¹³ and 1 × 10¹⁴ cm⁻² during post-implant RTA were studied and simulated at temperatures of 700–900 °C for 1–4 min. The observed Be diffusion profiles, obtained by the SIMS technique, can be satisfactorily explained in terms of a “kick-out” model of the substitutional-interstitial diffusion mechanism, involving singly ionized Be and doubly ionized Ga interstitial species. The generation of the excess Ga interstitials, according to the “plus-one” approach, and its annihilation in the local Ga interstitial sink region were taken into account. The corresponding coupled partial differential equations of the relevant diffusion model were solved numerically with proper initial and boundary conditions using the computational algorithms based on finite-difference approximations.     

Solid-state gallium NMR characterization of cubic gallium nitride prepared by the reaction of gallium arsenide with ammonia

The reaction of cubic gallium arsenide (GaAs) with ammonia yielded gallium nitride (GaN). Powder X-ray diffraction patterns of the GaN products showed that they are a mixture of c- and w-GaN, while their Ga MAS NMR spectra revealed that they have the other phase of GaN besides c- and w-GaN and the high reaction temperature (≥900 °C) induces nitrogen deficiency in GaN. The peaks at 353 and 347 ppm in the ⁷¹Ga MAS NMR spectra were tentatively assigned to c-GaN and an intermediate of w- and c-GaN in the stacking order, respectively. The observed ⁷¹Ga chemical shifts of GaN, GaP, GaAs and GaSb in cubic phase were well correlated with the reciprocal of their band gaps.     

Influence of mist-chilling on post-harvest quality of fresh strawberries Cv. Mara des Bois and Gariguette

The aim of this study was to assess the impact of mist-chilling on high-grade strawberry post-harvest quality (Cultivars “Gariguette” and “Mara des Bois”). Strawberries were chilled at 2 °C using three processes: air blast chilling at 0.3 m s⁻¹ or 1 m s⁻¹ and mist-chilling at 1 m s⁻¹. After chilling, fruits were submitted to different distribution chains characterised by different handling conditions and storage temperatures (2 °C or 7 °C) and by a 12 h retailing step at 20 °C. Strawberry quality was assessed by measuring 7 parameters: weight loss, commercial loss, firmness, sugar content, acidity, colour and sensory quality. Compared to air-chilling, mist-chilling did not reduce chilling time but it reduced weight loss by 20–40%. Mist-chilling had no detrimental effect on commercial loss defined as the percentage of fruit more than 1/3 of surface affected. It did not induce any major changes on strawberry quality. Temperature fluctuations undergone during cold storage and retailing had a detrimental effect on weight loss. The beneficial effect of packaging on weight loss was confirmed.     

Crack tip stress effect on delayed hydride cracking velocity of Zr–2.5Nb tubes

Using our new delayed hydride cracking (DHC) model, we scrutinized Pan's DHC test results of a cold-worked Zr–2.5Nb tube after neutron irradiation. DHC velocity at 240 °C of the Zr–2.5Nb tube increased gradually at neutron fluences below 5 × 10²⁵ n/m² (E > 1 MeV) and leveled off to a constant value at higher neutron fluences over it. This neutron fluence dependence of the DHC velocity was found to be similar to that of the Nb concentration in the β-Zr, not that of its tensile stress, which is hard to understand in view of the old DHC models. Normalization of the DHC velocity by hydrogen diffusivity or D_H is found to lessen the apparent yield stress effect on the DHC velocity of Zr–2.5Nb tubes. Consequently, it is demonstrated that the DHC velocity of the Zr–2.5Nb tubes is governed not by the crack tip stresses but by hydrogen diffusion, corroborating the validity of the new DHC model.     

Measurement of the Coherent Neutron Scattering Length of 3He

By means of neutron interferometry the s-wave neutron scattering length of the ³He nucleus was re-measured at the Institut Laue-Langevin (ILL). Using a skew symmetrical perfect crystal Si-interferometer and a linear twin chamber cell, false phase shifts due to sample misalignment were reduced to a negligible level. Simulation calculations suggest an asymmetrically alternating measuring sequence in order to compensate for systematic errors caused by thermal phase drifts. There is evidence in the experiment’s data that this procedure is indeed effective. The neutron refractive index in terms of Sears’ exact expression for the scattering amplitude has been analyzed in order to evaluate the measured phase shifts. The result of our measurement, b′_c = (6.000 ± 0.009) fm, shows a deviation towards a greater value compared to the presently accepted value of b′_c = (5.74 ± 0.07) fm, confirming the observation of the partner experiment at NIST. On the other hand, the results of both precision measurements at NIST and ILL exhibit a serious 12σ (12 standard uncertainties) deviation, the reason for which is not clear yet.     

Cu diffusion kinetics in (Cu, Ni)3Sn intermetallic compound nanolayers investigated by an Energy-Dispersive-X-ray-based permeation test

The Energy-Dispersive-X-ray-based permeation and oxidation test has been further developed by an improved theoretical analysis, in which chemical potential gradients rather than concentration gradients are employed. The developed test is able to characterize diffusion kinetics in diffusion barriers at the nanometer scale. The Cu flux coefficient in (Cu, Ni)₃Sn intermetallic compound nanolayers was determined from the test to be 8.48 × 10^− 15 mol·(m·s·J/mol)^–1 exp(− 52.3 kJ·mol^− 1/RT) in a temperature range of 250 °C–400 °C.     

Novel highly luminescent europium dinitrosalicylates

A series of lanthanide dinitrosalicylates M₃Ln(3,5-NO₂-Sal)₃ · nH₂O (Ln = Eu, Gd; M = Li, Na, K, Cs) was synthesized. It was found that the luminescence efficiency of some M₃Eu(3,5-NO₂-Sal)₃ · nH₂O compounds was near to the high efficiency of europium dibenzoylmethanate with 1,10-phenanthroline, Eu(DBM)₃ · Phen. The luminescence excitation spectra, electron-vibrational luminescence spectra, and vibrational IR spectra were investigated. The energy of the lowest excited triplet state of the ligand was obtained from phosphorescence spectra of M₃Gd(3,5-NO₂-Sal)₃ · nH₂O, M(3,5-NO₂-HSal) · nH₂O, and M₂(3,5-NO₂-Sal) · nH₂O. The details of the structure of compounds were discussed. The influence of different M-cations on the Eu³⁺ luminescence efficiency and on the processes of excitation energy transfer to a Eu³⁺ ion was analyzed. The presence of large alkali metal cations in lanthanide dinitrosalicylates and an increase in the temperature weaken the network of hydrogen bonds and, to some extent, the “ligand–metal” bonds. This is a cause of a long-wavelength shift of the intraligand charge transfer (ILCT) band in Eu³⁺ excitation spectra arising at inclusion of Cs⁺ instead of Li⁺ cations in the crystal lattice and at the heating of compounds. A change of the energies of ligand electronic states at substitution of Li⁺ and Na⁺ for Cs⁺ can give a tenfold enhancement of the Eu³⁺ luminescence efficiency at 300 K.     

Structural defects in PbMoO4 single crystals doped with Co ions

Pure and Co-doped PbMoO₄ crystals, were studied using reflection high energy electron diffraction (RHEED), optical and dielectric methods. The calculated lattice constants for PbMoO₄:Co (0.2 mol%) were determined as being equal to: a = 5.54 ± 0.05 Å and c = 11.96 ± 0.05 Å. The absorption spectra of “as grown” and annealed pure and Co-doped PbMoO₄ crystals were examined. The results of dielectric measurements gave the conductivity activation energy of highly Co-doped PbMoO₄ crystals (0.5 and 1.0 mol%) equal to 0.40 and 0.46 eV, respectively.     

Electrical and optical properties of 12CaO·7Al2O3 electride doped indium tin oxide thin film deposited by RF magnetron co-sputtering

12CaO·7Al₂O₃ electride (C12A7:e⁻) doped indium tin oxide (ITO) (ITO:C12A7:e⁻) thin films were fabricated on a glass substrate by an RF magnetron co-sputtering system with increasing number of C12A7:e⁻ chips (from 1 to 7) and at various oxygen partial pressure ratios. The optical transmittance of the ITO:C12A7:e⁻ thin film was higher than 70% in the visible wavelength region. In the electrical properties of the thin film, a decrease of the carrier concentration from 2.6 × 10²⁰ cm^− 3 to 2.1 × 10¹⁸ cm^− 3 and increase of the resistivity from 1.4 × 10^− 3 Ω cm to 4.1 × 10^− 1 Ω cm were observed with increasing number of C12A7:e⁻ chips and oxygen partial pressure ratios. It was also observed that the Hall mobility was decreased from 17.27 cm²·V^− 1·s^− 1 to 5.13 cm²·V^− 1·s^− 1. The work function of the ITO thin film was reduced by doping it with C12A7:e⁻.     

High-temperature oxygen non-stoichiometry, conductivity and structure in strontium-rich nickelates La2−xSrxNiO4−δ (x = 1 and 1.4)

Oxygen non-stoichiometry, electrical conductivity and thermal expansion of La_2−xSr_xNiO_4−δ phases with high levels of strontium-substitution (1 ≤ x ≤ 1.4) have been investigated in air and oxygen atmosphere in the temperature range 20–1050 °C. These phases retain the K₂NiF₄-type structure of La₂NiO₄ (tetragonal, space group I4/mmm). The oxygen vacancy fraction was determined independently from thermogravimetric and neutron diffraction experiments, and is found to increase considerably on heating. The electrical resistivity, thermal expansion and cell parameters with temperature show peculiar variations with temperature, and differ notably from La₂NiO_4±δ in this respect. These variations are tentatively correlated with the evolution of nickel oxidation state, which crosses from a Ni³⁺/Ni⁴⁺ to a Ni²⁺/Ni³⁺ equilibrium on heating.     

Effect of Mg17Al12 precipitates on the microstructural changes and mechanical properties of hot compressed AZ91 magnesium alloy

During hot compression, Mg₁₇Al₁₂ (β) precipitates show strong influence on the microstructural changes of 415 °C-24 h homogenized AZ91 alloy. When compressed at 300 °C and 350 °C, dynamic recrystallization (DRX) only occurs near grain boundaries with discontinuous β precipitate pinning at the newly DRXed grain boundaries. With increasing compression temperature and decreasing strain rate, the β-precipitating region expands; however, the amount of pinning precipitates decreases, resulting in increases in the DRX ratio and average DRXed grain size. With a compression ratio of only 50%, the specimen compressed at 350 °C and a strain rate of 0.2 s⁻¹ (designated 350 °C-0.2 s⁻¹ compressed specimen) shows an ultimate tensile strength (UTS) of 334 MPa, a 0.2% proof stress (PS) of 195 MPa and an enough elongation of 17.9%. After a subsequent aging treatment at 180 °C, due to the large number of β precipitates, the strength of the compressed specimens are further improved, and the specimen peak aged after compression at 400 °C and 0.2 s⁻¹ shows UTS of 364 MPa and PS of 248 MPa with a moderate elongation of 7.7%.     

Hot deformation behavior and microstructure evolution of twin-roll-cast Mg–2.9Al–0.9Zn alloy: A study with processing map

The hot deformation behavior and microstructure evolution of twin-roll-cast of Mg–2.9Al–0.9Zn–0.4Mn (AZ31) alloy has been studied using the processing map. The tensile tests were conducted in the temperature range of 150–400 °C and the strain rate range of 0.0004–4 s⁻¹ to establish the processing map. The different efficiency domains and flow instability region corresponding to various microstructural characteristics have been identified as follows: (i) the continuous dynamic recrystallization (CDRX) domain in the range of 200–280 °C/≤0.004 s⁻¹ with fine grains which provides a potential for warm deformation such as deep drawing; (ii) the discontinuous dynamic recrystallization (DDRX) domain around 400 °C at high strain rate (0.4 s⁻¹ and above) with excellent elongation which can be utilized for forging, extrusion and rolling; (iii) the grain boundary sliding (GBS) domain at slow strain rate (below 0.004 s⁻¹) above 350 °C appears abundant of cavities, which result in fracture and reduce the ductility of the adopted material; and (iv) the flow instability region which locates at the upper left of the processing map shows the metallographic feature of flow localization.     

Microstructure and mechanical properties of an HfB2 + 30 vol.% SiC composite consolidated by spark plasma sintering

An ultra-high-temperature HfB₂–SiC composite was successfully consolidated by spark plasma sintering. The powder mixture of HfB₂ + 30 vol.% β-SiC was brought to full density without any deliberate addition of sintering aids, and applying the following conditions: 2100 °C peak temperature, 100 °C min⁻¹ heating rate, 2 min dwell time, and 30 MPa applied pressure. The microstructure consisted of regular diboride grains (2 μm mean size) and SiC particulates evenly distributed intergranularly. The only secondary phase was monoclinic HfO₂. The incorporated SiC particulates played a key role in enhancing the sinterability of HfB₂. Flexural strength at 25 °C and 1500 °C in ambient air was 590 ± 50 and 600 ± 15 MPa, respectively. Fracture toughness at room temperature (RT) (3.9 ± 0.3 MPa √m) did not decrease at 1500 °C (4.0 ± 0.1 MPa √m). Grain boundaries depleted of secondary phases were fundamental for the retention of strength and fracture toughness at high temperature. The thermal shock resistance, evaluated through the water-quenching method, was 500 °C.     

Processing of nanocrystalline 8 mol% yttria-stabilized zirconia by conventional, microwave-assisted and two-step sintering

Manufacturing of near full dense (>97%) 8 mol% yttria-stabilized zirconia (8YSZ) nanopowder (15–33 nm) compacts was manipulated using conventional sintering (CS), two-step sintering (TSS) and microwave-assisted sintering methods. Microwave firing was performed via two different heating rates, i.e. 5 and 50 °C min⁻¹. Although, the lower rate microwave sintering (LMS) was found to yield the higher densities at lower temperatures, this regime ultimately did not provide higher final densities compared to the other methods. The higher rate microwave sintering (HMS) on the other hand managed to suppress the accelerated grain growth and resulted to a finer microstructure (0.9 μm) than LMS (2.35 μm) and CS (2.14 μm). In spite of the great capability of TSS method in fabricating the specimens with ultra-fine grains (0.29 μm), microstructural inhomogeneity and the long total sintering time (>20 h) in comparison with HMS (29 min) set restrictions on the application of TSS method. Based on the effect of grain size on the mechanical properties of ceramics, the specimens produced by TSS exhibited higher fracture toughness (3.16 ± 0.06 MPa m^1/2) than those obtained from CS (1.61 ± 0.07 MPa m^1/2) and LMS (1.9 ± 0.09 MPa m^1/2), due to their finer grain size. The proximity in the fracture toughness values of TSS and HMS (3.17 ± 0.10 MPa m^1/2) samples stems from the higher microstructural homogeneity caused by HMS, while having a larger grain size.     

Kinetics of zero-valent iron reductive transformation of the anthraquinone dye Reactive Blue 4

The effect of operational conditions and initial dye concentration on the reductive transformation (decolorization) of the textile dye Reactive Blue 4 (RB4) using zero-valent iron (ZVI) filings was evaluated in batch assays. The decolorization rate increased with decreasing pH and increasing temperature, mixing intensity, and addition of salt (100 g L⁻¹ NaCl) and base (3 g L⁻¹ Na₂CO₃ and 1 g L⁻¹ NaOH), conditions typical of textile reactive dyebaths. ZVI RB4 decolorization kinetics at a single initial dye concentration were evaluated using a pseudo first-order model. Under dyebath conditions and at an initial RB4 concentration of 1000 mg L⁻¹, the pseudo first-order rate constant (k_obs) was 0.029 ± 0.006 h⁻¹, corresponding to a half-life of 24.2 h and a ZVI surface area-normalized rate constant (k_SA) of 2.9 × 10⁻⁴ L m⁻² h⁻¹. However, as the initial dye concentration increased, the k_obs decreased, suggesting saturation of ZVI surface reactive sites. Non-linear regression of initial decolorization rate values as a function of initial dye concentration, based on a reactive sites saturation model, resulted in a maximum decolorization rate (V_m) of 720 ± 88 mg L⁻¹ h⁻¹ and a half-saturation constant (K) of 1299 ± 273 mg L⁻¹. Decolorization of RB4 via a reductive transformation, which was essentially irreversible (2–5% re-oxidation), is believed to be the dominant decolorization mechanism. However, some degree of RB4 irreversible sorption cannot be completely discounted. The results of this study show that ZVI treatment is a promising technology for the decolorization of commercial, anthraquinone-bearing, spent reactive dyebaths.     

Rapid densification and reaction sequences in self-reinforced Y-α-SiAlON ceramics with barium aluminosilicate as an additive

Y-α-SiAlON (Y_1/3Si₁₀Al₂ON₁₅) ceramics with 5 wt.%BaAl₂Si₂O₈ (BAS) as an additive were synthesized by spark plasma sintering (SPS). The kinetic of densification, phase transformation sequences and grain growth during sintering process were investigated. Full densification could be achieved by 1600 °C without holding and using a heating rate of 100 °C min⁻¹, but the transformation from α-Si₃N₄ to α-SiAlON is not completed simultaneously with the densification process. The equilibrium phase assemblage could be reached after SPS at 1800 °C for 5 min and the resultant material possesses self-reinforced microstructure with high hardness of 19.2 GPa and fracture toughness of 6.8 MPa m^1/2. The complete crystallization of BAS is beneficial to the high temperature mechanical properties. The obtained could maintain the room strength up to 1300 °C.     

Investigation of hot ductility in Al-killed boron steels

The influence of boron to nitrogen ratio, strain rate and cooling rate on hot ductility of aluminium-killed, low carbon, boron microalloyed steel was investigated. Hot tensile testing was performed on steel samples reheated in argon to 1300 °C, cooled at rates of 0.3, 1.2 and 3.0 °C s⁻¹ to temperatures in the range 750–1050 °C, and then strained to failure at initial strain rates of 1 × 10⁻⁴ or 1 × 10⁻³ s⁻¹. It was found that the steel with a B:N ratio of 0.19 showed deep hot ductility troughs for all tested conditions; the steel with a B:N ratio of 0.47 showed a deep ductility trough for a high cooling rate of 3.0 °C s⁻¹ and the steel with a near-stoichiometric B:N ratio of 0.75 showed no ductility troughs for the tested conditions. The ductility troughs extended from 900 °C (near the Ae₃ temperature) to 1000 or 1050 °C in the single-phase austenite region. The proposed mechanism of hot ductility improvement with increase in B:N ratio in these steels is that the B removes N from solution, thus reducing the strain-induced precipitation of AlN. Additionally, BN co-precipitates with sulphides, preventing precipitation of fine MnS, CuS and FeS, and forming large, complex precipitates that have no effect on hot ductility.     

Simulated heat affected zone in ASTM A533-B steel plates under low heat inputs

To investigate the weldability of A533-B steel plates, simulations of the coarse grained region of heat affected zone (with heat inputs of 10, 20 and 30 kJ cm⁻¹) followed by inter-pass heating at 300 °C and post-weld heat treatments at 590 °C were carried out. The microstructural evolution, the hardness and the toughness of the simulated heat-affected zone were studied. With heat inputs of 10 and 20 kJ cm⁻¹, both of the simulated microstructures contain mixtures of lower bainite and auto-tempered martensite. With heat input of 30 kJ cm⁻¹, the simulated microstructure is composed mainly of lower bainite. The Charpy impact toughness has also been measured for the simulated heat input specimens, which were treated by inter-pass heating at 300 °C and post-weld treatment at 590 °C.     

Analyses of nano-crystalline LiCoVO4 prepared by solvothermal reaction

LiOH·H₂O, Co(NO₃)₂·6H₂O and NH₄VO₃ were used to prepare nano-crystalline LiCoVO₄ by 150 °C solvothermal reaction in isopropanol for 10–360 h and subsequent calcination at 300–500 °C for 6 h. XRD, TEM and selected area electron diffraction (SAED) revealed the presence of nano-crystalline LiCoVO₄ with inverse spinel structure. The V–O stretching vibration modes of VO₄ tetrahedrons were detected by FTIR over the range 617–835 cm^− 1 and by Raman spectrometer at 805.7 and 783.1 cm^− 1. Co, V and O were detected by EDX. TGA of solvothermal products shows weight loss due to the evaporation and decomposition processes at 40–648 °C.