5.5 MeV Electron Irradiation-Induced Transformation of Minority Carrier Traps in p-Type Si and Si1−xGex Alloys

Minority carrier traps play an important role in the performance and radiation hardness of the radiation detectors operating in a harsh environment of particle accelerators, such as the up-graded sensors of the high-luminosity hadron collider (HL-HC) at CERN. It is anticipated that the sensors of the upgraded strip tracker will be based on the p-type silicon doped with boron. In this work, minority carrier traps in p-type silicon (Si) and silicon–germanium (Si_1−xGe_x) alloys induced by 5.5 MeV electron irradiation were investigated by combining various modes of deep-level transient spectroscopy (DLTS) and pulsed technique of barrier evaluation using linearly increasing voltage (BELIV). These investigations were addressed to reveal the dominant radiation defects, the dopant activity transforms under local strain, as well as reactions with interstitial impurities and mechanisms of acceptor removal in p-type silicon (Si) and silicon–germanium (SiGe) alloys, in order to ground technological ways for radiation hardening of the advanced particle detectors. The prevailing defects of interstitial boron–oxygen (B_iO_i) and the vacancy–oxygen (VO) complexes, as well as the vacancy clusters, were identified using the values of activation energy reported in the literature. The activation energy shift of the radiation-induced traps with content of Ge was clarified in all the examined types of Si_1−xGe_x (with x= 0–0.05) materials.     

Atomic Interactions and Order–Disorder Transition in FCC-Type FeCoNiAl1−xTix High-Entropy Alloys

Single-phase high-entropy alloys with compositionally disordered elemental arrangements have excellent strength, but show a serious embrittlement effect with increasing strength. Precipitation-hardened high-entropy alloys, such as those strengthened by L1₂-type ordered intermetallics, possess a superior synergy of strength and ductility. In this work, we employ first-principles calculations and thermodynamic simulations to explore the atomic interactions and order–disorder transitions in FeCoNiAl_1−xTi_x high-entropy alloys. Our calculated results indicate that the atomic interactions depend on the atomic size of the alloy components. The thermodynamic stability behaviors of L1₂ binary intermetallics are quite diverse, while their atomic arrangements are short-range in FeCoNiAl_1−xTi_x high-entropy alloys. Moreover, the order–disorder transition temperatures decrease with increasing Ti content in FeCoNiAl_1−xTi_x high-entropy alloys, the characteristics of order–disorder transition from first-principles calculations are in line with experimental observations and CALPHAD simulations. The results of this work provide a technique strategy for proper control of the order–disorder transitions that can be used for further optimizing the microstructure characteristics as well as the mechanical properties of FeCoNiAl_1−xTi_xhigh-entropy alloys.     

First-Principles Study of Silicon–Tin Alloys as a High-Temperature Thermoelectric Material

Silicon–germanium (SiGe) alloys have sparked a great deal of attention due to their exceptional high-temperature thermoelectric properties. Significant effort has been expended in the quest for high-temperature thermoelectric materials. Combining density functional theory and electron–phonon coupling theory, it was discovered that silicon–tin (SiSn) alloys have remarkable high-temperature thermoelectric performance. SiSn alloys have a figure of merit above 2.0 at 800 K, resulting from their high conduction band convergence and low lattice thermal conductivity. Further evaluations reveal that Si_0.75Sn_0.25 is the best choice for developing the optimum ratio as a thermoelectric material. These findings will provide a basis for further studies on SiSn alloys as a potential new class of high-performance thermoelectric materials.     

Antiferromagnet–Ferromagnet Transition in Fe1−xCuxNbO4

Iron niobates, pure and substituted with copper (Fe_1−xCu_xNbO₄ with x = 0–0.15), were prepared by the solid-state method and characterized by X-ray diffraction, Raman spectroscopy, and magnetic measurements. The results of the structural characterizations revealed the high solubility of Cu ions in the structure and better structural stability compared to the pure sample. The analysis of the magnetic properties showed that the antiferromagnetic–ferromagnetic transition was caused by the insertion of Cu²⁺ ions into the FeNbO₄ structure. The pure FeNbO₄ structure presented an antiferromagnetic ordering state, with a Néel temperature of approximately 36.81K. The increase in substitution promoted a change in the magnetic ordering, with the state passing to a weak ferromagnetic order with a transition temperature (T_c) higher than the ambient temperature. The origin of the ferromagnetic ordering could be attributed to the increase in super-exchange interactions between Fe/Cu ions in the Cu²⁺-O-Fe³⁺ chains and the formation of bound magnetic polarons in the oxygen vacancies.     

Synthesis and Characterization of Ti–Nb Alloy Films Obtained by Magnetron Sputtering and Low-Energy High-Current Electron Beam Treatment

The aim of the present work is to investigate the synthesis of Ti–Nb alloy films obtained by the physical vapor deposition (PVD) magnetron sputtering of Nb films on Ti substrates, followed by low-energy high-current electron beam (LEHCEB) alloying treatment. Ti–Nb alloys were synthetized under two different regimes, one by varying the deposited amount of Nb (from 25 to 150 nm) and treating samples with low applied voltages and a number of pulses (three pulses at either 20 or 25 kV), the second by setting the amount of Nb (100 nm) and alloying it at a higher applied voltage with a different number of pulses (from 10 to 50 at 25 and 30 kV). The synthetized Ti–Nb alloys were characterized by XRD and GDOES for phase identification and chemical composition; SEM and optical microscopy were employed for morphology evaluation; compositional investigation was done by EDS analysis and mechanical properties were evaluated by microindentation tests. LEHCEB treatment led to the formation of metastable phases (α′, α″ and β) which, together with the grain refinement effect, was responsible for improved mechanical properties.     

Growth and Investigation of Annealing Effects on Ternary Cd1−xMgxO Nanocomposit Thin Films

Thin films of Cd_1−xMg_xO (CdMgO) (0 ≤ x ≤ 1) were investigated by depositing the films on glass substrates using the co-evaporation technique. The structural, surface morphological, optical, and electrical characteristics of these films were studied as a function of Mg content after annealing at 350 °C. The XRD analysis showed that the deposited films had an amorphous nature. The grain size of the films reduced as the Mg concentration increased, as evidenced by the surface morphology, and EDAX supported the existence of Mg content. It was observed that as the films were annealed, the transmittance of the CdMgO films saw an increase of up to 85%. The blue shift of the absorption edge was observed by the increase of Mg content, which was useful for enhancing the efficiency of solar cells. The optical band gap increased from 2.45 to 6.02 eV as the Mg content increased. With increased Mg content, the refractive index reduced from 2.49 to 1.735, and electrical resistivity increased from 535 Ω cm to 1.57 × 10⁶ Ω cm.     

Extraction of Al from Coarse Al–Si Alloy by The Selective Liquation Method

A selective liquation process to extract Al from a coarse Al–Si alloy, produced by carbothermal reduction, was investigated on the laboratory scale. The products obtained by selective liquation–vacuum distillation were analyzed by X-ray diffraction, inductively coupled plasma optical emission spectrometry and scanning electron microscopy. During the selective liquation process with the use of zinc as the solvent, the pure aluminum in the coarse Al–Si alloy dissolved in the zinc melt to form an α-solid solution with zinc, and most of the silicon and iron-rich phases and Al–Si–Fe intermetallics precipitated and grew into massive grains that entered into the slag and separated with the Zn–Al alloy melt. However, some fine silicon particles remained in the Zn–Al alloy. Thus, Al–Si alloys conforming to industrial application standards were obtained when the Zn–Al alloys were separated by a distillation process.     

Analysis of Friction Stir Welding Tool Offset on the Bonding and Properties of Al–Mg–Si Alloy T-Joints

Research on T-configuration aluminum constructions effectively decreases fuel consumption, increases strength, and develops aerial structures. In this research, the effects of friction stir welding (FSW) tool offset (TO) on Al–Mg–Si alloy mixing and bonding in T-configurations is studied. The process is simulated by the computational fluid dynamic (CFD) technique to better understand the material mixing flow and the bonding between the skin and flange during FSW. According to the results, the best material flow can be only achieved at an appropriate TO. The appropriate TO generates enough material to fill the joint line and results in formation of the highest participation of the flange in the stir zone (SZ) area. The results show that, in the T-configuration, FSW joints provide raw materials from the retreating side (RS) of the flange that play a primary role in producing a sound mixing flow. The selected parameters were related to the geometric limitations of the raw sheets considered in this study. The failure point of all tensile samples was located on the flange. Surface tunneling is the primary defect in these joints, which is produced at high TOs. Among the analyzed cases, the most robust joint was made at +0.2 mm TO on the advancing side (AS), resulting in more than 60% strength of the base aluminum alloy being retained.     

Correlation between Defects and Electrical Performances of Ion-Irradiated 4H-SiC p–n Junctions

In this study, 4H-SiC p–n junctions were irradiated with 700 keV He⁺ ions in the fluence range 1.0 × 10¹² to 1.0 × 10¹⁵ ions/cm². The effects of irradiation were investigated by current–voltage (I–V) and capacitance–voltage (C–V) measurements, while deep-level transient spectroscopy (DLTS) was used to study the traps introduced by irradiation defects. Modifications of the device’s electrical performances were observed after irradiation, and two fluence regimes were identified. In the low fluence range (≤10¹³ ions/cm²), I–V characteristics evidenced an increase in series resistance, which can be associated with the decrease in the dopant concentration, as also denoted by C–V measurements. In addition, the pre-exponential parameter of junction generation current increased with fluence due to the increase in point defect concentration. The main produced defect states were the Z_1/2, RD_1/2, and EH_6/7 centers, whose concentrations increased with fluence. At high fluence (>10¹³ ions/cm²), I–V curves showed a strong decrease in the generation current, while DLTS evidenced a rearrangement of defects. The detailed electrical characterization of the p–n junction performed at different temperatures highlights the existence of conduction paths with peculiar electrical properties introduced by high fluence irradiation. The results suggest the formation of localized highly resistive regions (realized by agglomeration of point defects) in parallel with the main junction.     

Revealing the Effect of Phase Composition and Transformation on the Mechanical Properties of a Cu–6Ni–6Sn–0.6Si Alloy

In the present study, a Cu–6Ni–6Sn–0.6Si alloy is fabricated through frequency induction melting, then subjected to solution treatment, rolling, and annealing. The phase composition, microstructure evolution, and transition mechanism of the Cu–6Ni–6Sn–0.6Si alloy are researched systematically through simulation calculation and experimental characterization. The ultimate as-annealed sample simultaneously performs with high strength and good ductility according to the uniaxial tensile test results at room temperature. There are amounts of precipitates generated, which are identified as belonging to the DO22 and L12 phases through the transmission electron microscope (TEM) analysis. The DO22 and L12 phase precipitates have a significant strengthening effect. Meanwhile, the generation of the common discontinuous precipitation of the γ phase, which is harmful to the mechanical properties of the copper–nickel–tin alloy, is inhibited mightily during the annealing process, possibly due to the existence of the Ni5Si2 primary phase. Therefore, the as-annealed sample of the Cu–6Ni–6Sn–0.6Si alloy possesses high tensile strength and elongation, which are 967 MPa and 12%, respectively.     

Microstructure and Wear Properties of Laser Cladding WC/Ni-Based Composite Layer on Al–Si Alloy

The microstructural and wear properties of laser-cladding WC/Ni-based layer on Al–Si alloy were investigated by scanning electron microscope (SEM), X-ray diffraction (XRD), energy dispersive spectrometer (EDS) and wear-testing. The results show that, compared with the original specimen, the microhardness and wear resistance of the cladding layer on an Al–Si alloy were remarkably improved, wherein the microhardness of the layer achieved 1100 HV and the average friction coefficient of the layer was barely 0.14. The mainly contributor to such significant improvement was the generation of a WC/Ni-composite layer of Al–Si alloy during laser cladding. Two types of carbides, identified as M₇C₃ and M₂₃C₆, were found in the layer. The wear rate of the layer first increased and then decreased with the increase in load; when the load was 20 N, 60 N and 80 N, the wear rate of layer was1.89 × 10⁻³ mm³·m⁻¹, 3.73 × 10⁻³ mm³·m⁻¹ and 2.63 × 10⁻³ mm³·m⁻¹, respectively, and the average friction coefficient (0.14) was the smallest when the load was 60 N.     

In Situ TEM Study of Structural Changes in Na-β″-Alumina Using Electron Beam Irradiation

Real-time structural changes in Na-β″-alumina were observed in situ using transmission electron microscopy (TEM) with electron beam irradiation. Na-β″-alumina has been widely investigated as a solid electrolyte material for sodium–sulfur secondary batteries owing to its high ionic conductivity. This high conductivity is known to be due to the Na⁺ ions on the loosely packed conduction planes of Na-β″-alumina. In the present study, we acquired real-time videos of the generation of spinel blocks caused by the conduction of Na⁺ ions. In addition, by observing Na extraction during electron beam irradiation, we experimentally confirmed that spinel block generation originates from the Na⁺ ion conduction, which has been a subject of recent debate.     

In Situ Observation of the Tensile Deformation and Fracture Behavior of Ti–5Al–5Mo–5V–1Cr–1Fe Alloy with Different Microstructures

The plastic deformation processes and fracture behavior of a Ti–5Al–5Mo–5V–1Cr–1Fe alloy with bimodal and lamellar microstructures were studied by room-temperature tensile tests with in situ scanning electron microscopy (SEM) observations. The results indicate that a bimodal microstructure has a lower strength but higher ductility than a lamellar microstructure. For the bimodal microstructure, parallel, deep slip bands (SBs) are first noticed in the primary α (α_p) phase lying at an angle of about 45° to the direction of the applied tension, while they are first observed in the coarse lath α (α_L) phase or its interface at grain boundaries (GBs) for the lamellar microstructure. The β matrix undergoes larger plastic deformation than the α_L phase in the bimodal microstructure before fracture. Microcracks are prone to nucleate at the α_p/β interface and interconnect, finally causing the fracture of the bimodal microstructure. The plastic deformation is mainly restricted to within the coarse α_L phase at GBs, which promotes the formation of microcracks and the intergranular fracture of the lamellar microstructure.     

(RE)Ba2Cu3O7−δ and the Roeser-Huber Formula

We apply the Roeser–Huber formula to the (RE)Ba2Cu3O7−δ (REBCO with RE= rare earths) high-Tc superconducting material class to calculate the superconducting transition temperature, Tc, using the electronic configuration and the crystallographic data. In a former publication (H. P. Roeser et al., Acta Astronautica 2008, 62, 733–736), the basic idea was described and Tc was successfully calculated for the YBa2Cu3O7−δ compound with two oxygen doping levels δ= 0.04 and 0.45, but several open questions remained. One of the problems remaining was the determination of Tc for the δ= 0.45 sample, which can be explained regarding the various oxygen arrangements being possible within the copper-oxide plane. Having established this proper relation and using the various crystallographic data on the REBCO system available in the literature, we show that the Roeser–Huber equation is capable to calculate the Tc of the various REBCO compounds and the effects of strain and pressure on Tc, when preparing thin film samples. Furthermore, the characteristic length, x, determined for the REBCO systems sheds light on the size of the δTc-pinning sites being responsible for additional flux pinning and the peak effect.     

Recycling of Technogenic CoCrMo Alloy by Electron Beam Melting

In the current work, the possibility of the recycling of technogenic CoCrMo material by electron beam melting is investigated. The influence of thermodynamic and kinetic parameters (temperature and melting time) on the behavior of the main components of the alloy (Co, Cr, and Mo) and other elements (Fe, Mn, Si, W, and Nb) present in it, and on the microstructure of the ingots obtained after e-beam processing is studied. The vapor pressure of the alloy is determined taking into account the activities of the main alloy components (Co, Cr, and Mo). The relative volatility of the metal elements present in the alloy was also evaluated. An assessment of the influence of the temperature and the retention time on the degree of elements removal from CoCrMo technogenic material was made. The results obtained show that the highest degree of refining is achieved at 1860 K and a residence time of 20 min. The conducted EDS analysis of the more characteristic phases observed on the SEM images of the samples shows distinct micro-segregation in the matrix composition.     

Precipitation Hardening at Elevated Temperatures above 400 °C and Subsequent Natural Age Hardening of Commercial Al–Si–Cu Alloy

The precipitation of intermetallic phases and the associated hardening by artificial aging treatments at elevated temperatures above 400 °C were systematically investigated in the commercially available AC2B alloy with a nominal composition of Al–6Si–3Cu (mass%). The natural age hardening of the artificially aged samples at various temperatures was also examined. A slight increase in hardness (approximately 5 HV) of the AC2B alloy was observed at an elevated temperature of 480 °C. The hardness change is attributed to the precipitation of metastable phases associated with the α-Al₁₅(Fe, Mn)₃Si₂ phase containing a large amount of impurity elements (Fe and Mn). At a lower temperature of 400 °C, a slight artificial-age hardening appeared. Subsequently, the hardness decreased moderately. This phenomenon was attributed to the precipitation of stable θ-Al₂Cu and Q-Al₄Cu₂Mg₈Si₆ phases and their coarsening after a long duration. The precipitation sequence was rationalized by thermodynamic calculations for the Al–Si–Cu–Fe–Mn–Mg system. The natural age-hardening behavior significantly varied depending on the prior artificial aging temperatures ranging from 400 °C to 500 °C. The natural age-hardening was found to strongly depend on the solute contents of Cu and Si in the Al matrix. This study provides fundamental insights into controlling the strength level of commercial Al–Si–Cu cast alloys with impurity elements using the cooling process after solution treatment at elevated temperatures above 400 °C.     

Electronic and Optical Properties of Rocksalt Mg1−xZnxO and Wurtzite Zn1−xMgxO with Varied Concentrations of Magnesium and Zinc

The structural, electronic and optical properties of rocksalt Mg1−xZnxO and wurtzite Zn1−xMgxO with the concentration of Zn and Mg varying from 0.125 to 0.875 were investigated using density functional theory (DFT), DFT+U, linear response theory and the Bethe–Salpeter equation. According to the experimental band gap for varied concentrations of magnesium and zinc, modeling the supercell was utilized for the varied concentrations of Mg/Zn/O compounds in order to not only avoid constructing the complicated interface systems that are observed in the experiments but also take into account the excitonic effects that usually require huge computational resources. From the calculated density of states, the Zn states are highly related to the edge of the conduction band minimum and responsible for the width of bandgap. In addition, the contribution of Zn–d states is below expectations as they are located away from the VBM. As for the optical response, an increase in Zn concentration would cause a red-shifted spectrum, on the whole. In contrast, the higher concentration of Mg also triggers the blue-shift of the optical spectrum. In addition, anisotropic properties could be found in the spectrum with consideration of the excitonic effects, whereas there is no apparent difference in optical response based on linear response theory. In addition, the optical features of this work reflect the characteristic peaks of the literature around the absorption onset.     

Evidence of sp2-like Hybridization of Silicon Valence Orbitals in Thin and Thick Si Grown on α-Phase Si(111)√3 × √3R30°-Bi

One-monolayer (ML) (thin) and 5-ML (thick) Si films were grown on the α-phase Si(111)√3 × √3R30°-Bi at a low substrate temperature of 200 °C. Si films have been studied in situ by reflection electron energy loss spectroscopy (REELS) and Auger electron spectroscopy, as a function of the electron beam incidence angle α and low-energy electron diffraction (LEED), as well as ex situ by grazing incidence X-ray diffraction (GIXRD). Scanning tunneling microscopy (STM), and scanning tunneling spectroscopy (STS) were also reported. The REELS spectra, taken at the Si K absorption edge (~1.840 KeV), reveal the presence of two distinct loss structures attributed to transitions 1s→π* and 1s→σ* according to their intensity dependence on α, attesting to the sp²-like hybridization of the silicon valence orbitals in both thin and thick Si films. The synthesis of a silicon allotrope on the α-phase of Si(111)√3 × √3R30°-Bi substrate was demonstrated by LEED patterns and GIXRD that discloses the presence of a Si stack of 3.099 (3) Å and a √3 × √3 unit cell of 6.474 Å, typically seen for multilayer silicene. STM and STS measurements corroborated the findings. These measurements provided a platform for the new √3 × √3R30° Si allotrope on a Si(111)√3 × √3 R30°-Bi template, paving the way for realizing topological insulator heterostructures from different two-dimensional materials, Bi and Si.     

Elimination of Composition Segregation in 33Al–45Cu–22Fe (at.%) Powder by Two-Stage High-Energy Mechanical Alloying

In the present work, complex powder alloys containing spinel as a minor phase were produced by mechanical alloying in a high-energy planetary ball mill from a 33Al–45Cu–22Fe (at.%) powder blend. These alloys show characteristics suitable for the synthesis of promising catalysts. The alloying was conducted in two stages: at the first stage, a Cu+Fe powder mixture was ball-milled for 90 min; at the second stage, Al was added, and the milling process was continued for another 24 min. The main products of mechanical alloying formed at each stage were studied using X-ray diffraction phase analysis, Mössbauer spectroscopy, transmission electron microscopy, and energy-dispersive spectroscopy. At the end of the first stage, crystalline iron was not found. The main product of the first stage was a metastable Cu(Fe) solid solution with a face-centered cubic structure. At the second stage, the Cu(Fe) solid solution transformed to Cu(Al), several Fe-containing amorphous phases, and a spinel phase. The products of the two-stage process were different from those of the single-stage mechanical alloying of the ternary elemental powder mixture; the formation of undesirable intermediate phases was avoided, which ensured excellent composition uniformity. A sequence of solid-state reactions occurring during mechanical alloying was proposed. Mesopores and a spinel phase were the features of the two-stage milled material (both are desirable for the target catalyst).     

Effect of Er on Microstructure and Corrosion Behavior of Al–Zn–Mg–Cu–Sc–Zr Aluminum Alloys

In this study, the influence of Er addition on the microstructure, type transformation of second phases, and corrosion resistance of an Al–Zn–Mg–Cu alloy were explored. The results revealed that the added Er element could significantly refine the alloy grains and change the second-phase composition at the grain boundary of the alloy. In the as-cast state, the Er element significantly enhanced the corrosion resistance of the alloy due to its refining effect on the grains and second phases at the grain boundary. The addition of the alloying element Er to the investigated alloy changed the type of corrosion attack on the alloy’s surface. In the presence of Er, the dominant type of corrosion attack is pitting corrosion, while the alloy without Er is prone to intergranular corrosion attack. After a solution treatment, the Al₈Cu₄Er phase was formed, in which the interaction with the Cu element and the competitive growth relation to the Al₃Er phase were the key factors influencing the corrosion resistance of the alloy. The anodic corrosion mechanism of the Al₈Cu₄Er and Al₃Er phases evidently lowered the alloy corrosion rate, and the depth of the corrosion pit declined from 197 μm to 155 μm; however, further improvement of corrosion resistance was restricted by the morphology and size of the Al₈Cu₄Er phase after its formation and growth; therefore, adjusting the matching design of the Cu and Er elements can allow Er to improve the corrosion resistance of the Al–Zn–Mg–Cu aluminum alloy to the greatest extent.