Search Results (64)

With the large-scale application of lithium-ion batteries in the field of new energy, many retired lithium batteries not only cause environmental pollution problems but also lead to serious waste of resources. Repairing failed lithium batteries and regenerating new materials has become a crucial path to break through this dilemma. Based on the research on the failure mechanism of ternary cathode materials, this paper systematically combs through the multiple factors leading to their failure, extensively summarizes the influence of heat treatment process parameters on the performance of recycled materials, and explores the synergistic effect between heat treatment technology and other processes. Studies have shown that the failure of ternary cathode materials is mainly attributed to factors such as cation mixing disorder, the generation of microcracks, phase structure transformation, and the accumulation of by-products. Among them, cation mixing disorder damages the crystal structure of the material, microcracks accelerate the pulverization of the active substance, phase structure transformation leads to lattice distortion, and the generation of by-products will hinder ion transport. The revelation of these failure mechanisms lays a theoretical foundation for the efficient recycling of waste materials. In terms of recycling technology, this paper focuses on the application of heat treatment technology. On the one hand, through synergy with element doping and surface coating technologies, heat treatment can effectively improve the crystal structure and surface properties of the material. On the other hand, when combined with processes such as the molten salt method, coprecipitation method, and hydrothermal method, heat treatment can further optimize the microstructure and electrochemical properties of the material. Specifically, heat treatment plays multiple key roles in the recycling process of ternary cathode materials: repairing crystal structure defects, enhancing the electrochemical performance of the material, removing impurities, and promoting the uniform distribution of elements. It is a core link to achieving the efficient reuse of waste ternary cathode materials. Full article

Uranium mononitride (UN) is a promising nuclear fuel with a high melting point, high thermal conductivity, and low coefficient of thermal expansion. Theoretical studies of UN can provide insights on its thermal transport mechanism, which is of great significance for the design and application of UN fuel. During the processing and operation, crystal defects and impurities, such as vacancies and carbon impurities, potentially arise in the nuclear fuel, which probably affect the thermomechanical properties of UN. To figure out the effect of vacancy defects and carbon impurities on the thermal conductivity of UN, density functional theory and Boltzmann transport theory are applied to conduct a theoretical investigation on the mechanical and thermal properties of ideal and defective UN. The calculated results show that in the case of UN with a U or N vacancy, both the lattice and electronic thermal conductivity are decreased, compared with the ideal case. With a carbon atom occupying the N site in the lattice, the electronic thermal conductivity is reduced but the lattice thermal conductivity is increased. Combining the results of lattice and electronic thermal conductivity, the total thermal conductivities of three defective states are lower than the ideal UN. The thermal conductivities of UN with a U vacancy (13.91 W/mK), N vacancy (15.36 W/mK), and a carbon atom occupying the N site (15.14 W/mK) are, respectively, reduced by 25.7%, 18.0%, and 19.2%, in comparison with ideal result (18.73 W/mK) at 1000 K. Full article

The electron screening effect is responsible for a significant increase in the nuclear reaction rates in metals at very low energies. This is dependent on the local crystal structure of the metallic target and the occurrence of defects or additional elemental impurities in the crystal. Here, we studied the deuteron–deuteron fusion reactions on zirconium targets previously implanted with carbon and oxygen ions. The ²H(d,p)³H reaction yield was measured at two deuteron energies, 8 and 20 keV, in order to determine the strength of the electron screening effect and its dependence on the density of the implanted impurities. We found that carbon implantation strongly reduced the experimentally determined screening energy, while oxygen implantation had the opposite effect. These results are especially important for the application of nuclear fusion in metallic environments at very low energies. Full article

Three quartz-rich geologic materials—vein quartz from the Great Bear Magmatic Zone, massive quartz from the Nechalacho rare earth deposit, and quartz sands from the Chedabucto silica sand deposit along the shores of the Northern Arm of the Great Slave Lake, Northwest Territories of Canada—were evaluated for their amenability to physical beneficiation into high-purity quartz (HPQ). The samples were subjected to various treatment processes, including crushing, grinding, calcining and quenching, acid leaching, wet high-intensity magnetic separation (WHIMS), and reverse flotation. After treatment, both the core and sand quartz samples met the requirements for HPQ, making them suitable for use in the production of semiconductor filters, liquid crystal displays (LCDs), and optical glass. However, the Al-bearing impurity content in the vein quartz products remained relatively high, and most of these impurities were dispersed in the quartz lattice, requiring further processing to meet the purity standards for HPQ required by these industries. Full article

This study investigates the potential of two quartz vein ores from the Hunza District, Gilgit-Baltistan, Pakistan, as raw materials to obtain 4N8 high-purity quartz (HPQ) sand. Various quartz purification processes were examined, including ore calcination, water quenching, flotation, sand calcination, acid leaching, and chlorination roasting. Analytical techniques such as optical microscopy, Raman spectroscopy, and inductively coupled plasma spectroscopy were employed to analyze the microstructure, inclusion characteristics, and chemical composition of both the quartz raw ore and the processed quartz sand. Microscopic observation reveals that the PK-AML quartz raw ore has relatively high purity, the secondary fluid inclusions are arranged in a directional–linear manner or developed along crystal micro-cracks, and most intracrystalline regions exhibit low inclusion contents, while the PK-JTLT quartz raw ore contains a certain number of melt inclusions. The two processed quartz sand samples exhibit a smooth surface with extremely low fluid inclusion content. A comparative analysis of different purification processes shows that quartz sand calcination has a higher impurity removal rate than ore calcination. After crushing the raw ore into sand, the particles become finer with a larger specific surface area. Quartz sand calcination maximally exposes the inclusions and lattice impurity elements within the quartz, facilitating subsequent impurity removal through acid leaching. Following the processes of crushing, ultrasonic desliming, flotation, sand calcination, water quenching, acid leaching, and chlorination roasting, the SiO₂ content of PK-AML processed quartz sand is 99.998 wt.%, with only a small amount of Ti and Li remaining, and a total impurity element content of 20.83 µg·g⁻¹. This meets the standard requirements for crucible preparation in industrial applications, making this vein quartz suitable for producing high-end HPQ products. In contrast, the overall purity of PK-JTLT quartz is lower, and the high contents of impurity elements such as Li, Al, and Ti are difficult to remove via purification experiments. The SiO₂ content of PK-JTLT processed quartz sand is 99.991 wt.%, which is applied to higher-quality glass products such as photovoltaic glass, electronic glass, and optical glass, thus presenting broad prospects for application. Full article

Using the example of III–V nitrides crystallizing in a wurtzite structure (GaN, AlN, and InN), this review presents the special role of hydrostatic pressure in studying semiconductor properties. Starting with a brief description of high-pressure techniques for growing bulk crystals of nitride compounds, we focus on the use of hydrostatic pressure techniques in both experimental and theoretical investigations of the special properties of nitride compounds, their alloys, and quantum structures. The bandgap pressure coefficient is one of the most important parameters in semiconductor physics. Trends in its behavior in nitride structures, together with trends in pressure-induced phase transitions, are discussed in the context of the behavior of other typical semiconductors. Using InN as an example, the pressure-dependent effects typical of very narrow bandgap materials, such as conduction band filling or effective mass behavior, are described. Interesting aspects of bandgap bowing in In-containing nitride alloys, including pressure and clustering effects, are discussed. Hydrostatic pressure also plays an important role in the study of native defects and impurities, as illustrated by the example of nitride compounds and their quantum structures. Experiments and theoretical studies on this topic are reviewed. Special attention is given to hydrostatic pressure and strain effects in short periods of nitride superlattices. The explanation of the discrepancies between theory and experiment in optical emission and its pressure dependence from InN/GaN superlattices led to the well-documented conclusion that InN growth on the GaN substrate is not possible. The built-in electric field present in InGaN/GaN and AlGaN/GaN heterostructures crystallizing in a wurtzite lattice can reach several MV/cm, leading to drastic changes in the physical properties of these structures and related devices. It is shown how hydrostatic pressure modifies these effects and helps to understand their origin. Full article

This study focuses on the purification and evaluation of the high-purity quartz (HPQ) potential of vein quartz ore from Pakistan. Vein quartz is grayish-white and translucent, with its mineral composition mainly comprising quartz crystal. Processed quartz sand is obtained from quartz raw ore through purifying technologies, including crushing, ultrasonic desliming, flotation, high-temperature calcination, water quenching, hot pressure acid leaching, and chlorination roasting. The microscopic characteristics show that the vein quartz raw ore has a medium-coarse granular metacrystalline structure, high quartz content, with only a small quantity of fine-grained K-feldspar. The inclusions primarily consist of large-sized primary inclusions and secondary fluid inclusions developed along the micro-fractures, and the content of inclusions in most areas of the crystal is very low or even nonexistent. The quartz ore with such inclusion characteristics is considered a relatively good raw material for quartz. Component analysis shows that the main impurity elements in the quartz ore are Al, K, Ca, Na, Ti, Fe, and Li, with a total impurity element content of 128.86 µg·g⁻¹. After purification, only lattice impurity elements Al, Ti, and Li remain in the processed quartz sand, resulting in a total impurity element content of 24.23 µg·g⁻¹, an impurity removal rate of 81.20%, and the purity of SiO₂ reaching 99.998 wt.%. It is suggested that when the quartz raw ore contains high content of lattice impurity elements, such as Al, Li, and Ti, it is difficult to remove them by the current purification method. In industrial production, considering the economic cost, if quartz sand still contains high content of lattice impurity elements Al, Ti, and Li after flotation, it cannot be used as a raw material for high-end HPQ. Full article

Hybrid organic-inorganic lead halide perovskites (LHPs) have emerged as a highly significant class of materials due to their tunable and adaptable properties, which make them suitable for a wide range of applications. One of the strategies for tuning and optimizing LHP-based devices is the substitution of cations and/or anions in LHPs. The impact of Cs substitution at the A site on the structural, vibrational, and elastic properties of MA_xCs_1−xPbCl₃-mixed single crystals was investigated using X-ray diffraction (XRD) and Raman and Brillouin light scattering techniques. The XRD results confirmed the successful synthesis of impurity-free single crystals, which exhibited a phase coexistence of dominant cubic and minor orthorhombic symmetries. Raman spectroscopy was used to analyze the vibrational modes associated with the PbCl₆ octahedra and the A-site cation movements, thereby revealing the influence of cesium incorporation on the lattice dynamics. Brillouin spectroscopy was employed to investigate the changes in elastic properties resulting from the Cs substitution. The incorporation of Cs cations induced lattice distortions within the inorganic framework, disrupting the hydrogen bonding between the MA cations and PbCl₆ octahedra, which in turn affected the elastic constants and the sound velocities. The substitution of the MA cations with smaller Cs cations resulted in a stiffer lattice structure, with the two elastic constants increasing up to a Cs content of 30%. The current findings facilitate a fundamental understanding of mixed lead chloride perovskite materials, providing valuable insights into their structural and vibrational properties. Full article

Near-infrared laser radiation based on Nd³⁺-doped yttrium ortho-aluminate (Nd:YAlO₃, Nd:YAP) has garnered significant interest regarding solid-state lasers. Nevertheless, the crystal microstructures and electronic characteristics of Nd:YAP are still unclear, and the unique physical properties underlying its enormous applications require clarification. In this study, we conducted first-principles calculations at the atomic level to explore the electronic properties and mechanical characteristics of both pure YAP and Nd³⁺-doped YAP. The results suggest that the substitution of the Y³⁺ ion site with the Nd³⁺ impurity ion induces slight structural distortion in the YAP crystal lattice. An impurity band emerges between the original conduction band and the valence band, attributed to the 4f orbital of the Nd³⁺ ion, exerting a substantial influence on the narrowing of the band gap. Through an analysis of the mechanical characteristics of both pure YAP and Nd:YAP, we conclude that the incorporation of Nd³⁺ atoms leads to a reduction in the mechanical properties of YAP to a certain extent. Our study can serve as a foundational data source for investigations into material performance, especially for the application of Nd:YAP in solid-state laser systems. Full article

In this paper, we present the identification of polymorphisms at an early stage, identified by applying non-standard methods such as SAXS. We provide an analytical approach to polymorphism in the quality/purity of an active pharmaceutical ingredient (API), supplied to a generic company by two different suppliers (i.e., manufacturers). Changes in thermodynamic polymorphism firstly become visible in traces in the larger crystal lattices, which are visible on the SAXS spectrum only using the logarithmic scale, as shown in the result figures. Hence, we are here on the trail of the beginning of a new polymorph in nicomorphine, whose crystal waviness at the early stage is visible only in the additional symmetrical peaks identified and calculated using SAXS, while the chemical analyses excluded all kinds of chemical impurities. The chemical and structural properties were studied using the following techniques: SAXS, WAXS, DSC, dissolution, Raman spectroscopy, and FTIR. Only the SAXS technique could identify crucial differences and calculate the additional signals related to giant crystals, whilst a standard method such as WAXS showed none, and nor did the chemical analyses, such as Raman spectroscopy and FT-IR. This means that due to water in crystallization (known in nicomorphine) or thermodynamic waviness, the formation of the new polymorph starts first in traces, which become visible at larger distances from the crystal lattice, detectible only in the SAXS range. This is a very important premise and hypothesis for further research, and we believe that this work lays a new stone in understanding the origin of new unknown polymorphs and their mixtures. Therefore, the aim of this work is to show that the use of non-standard methods (i.e., SAXS) can be of great benefit to API analysis and the identification of polymorphic changes in the early phase, which can cause varied stability, solubility and bioavailability and thus different therapeutic effects or side effects. Full article

This paper focuses on the research and development of high-purity germanium (HPGe) crystals for detector fabrication, specifically targeting applications in rare-event physics searches. The primary objective was to produce large-scale germanium crystals weighing >1 kg with a controlled diameter of ∼10 cm and an impurity range of approximately ${10}^{10}$/cm${ }^3$. Ensuring structural integrity and excellent crystalline quality requires a thorough assessment of dislocation density, a critical aspect of the crystal development process. Dislocation density measurements play a crucial role in maximizing the sensitivity of HPGe detectors, and our findings confirmed that the dislocation density fell within acceptable ranges for detector fabrication. Additionally, this paper examines the segregation coefficient of various contaminants during the crystal development process. Comprehensive analysis of impurity segregation is essential for reducing contaminant quantities in the crystal lattice and customizing purification processes. This, in turn, minimizes undesired background noise, enhancing signal-to-noise ratios for rare-event physics searches and overall detector performance. The investigation included the segregation coefficients of three major acceptors and one donor in crystals grown at the University of South Dakota, providing valuable insights for optimizing crystal purity and detector efficiency. Full article

The study examines the influence of variations in the compositions of components for the production of lithium-containing ceramics based on lithium metazirconate obtained by the method of mechanochemical grinding and subsequent thermal sintering. For component variation, two compositions were used, consisting of zirconium dioxide (ZrO₂) and two distinct types of lithium-containing materials: lithium perchlorate (LiClO₄·3H₂O) and lithium carbonate (Li₂CO₃). Adjusting the concentration of these components allowed for the production of two-phase ceramics with varying levels of impurity phases. Using X-ray phase analysis methods, it was determined that the use of LiClO₄·3H₂O results in the formation of a monoclinic phase, Li₂ZrO₃, with impurity inclusions in the orthorhombic phase, LiO₂. On the other hand, when Li₂CO₃ is used, the resulting ceramics comprise a mixture of two phases, Li₂ZrO₃ and Li₆Zr₂O₇. During the studies, it was established that the formation of impurity inclusions in the composition of ceramics leads to an increase in the stability of strength properties with varying mechanical test conditions, as well as stabilization of thermophysical parameters and a decrease in thermal expansion during long-term high-temperature tests. It has been established that in the case of two-phase ceramics Li₂ZrO₃/Li₆Zr₂O₇ in which the dominance of the Li₆Zr₂O₇ phase is observed during high-temperature mechanical tests, a more pronounced decrease in resistance to cracking is observed, due to thermal expansion of the crystal lattice. Full article

In the search for electronic phenomena in high-entropy alloys (HEAs) that go beyond the independent-electron description, we have synthesized a series of hexagonal rare earth (RE)-based HEAs: Ce_xLaLuScY (x = 0.05–1.0). The measurements of electrical resistivity, magnetic susceptibility and specific heat have shown that the Ce_xLaLuScY HEAs exhibit the Kondo effect, which is of a single impurity type in the entire range of employed Ce concentrations despite the alloys being classified as dense (concentrated) Kondo systems. A comparison to other known dense Kondo systems has revealed that the Kondo effect in the Ce_xLaLuScY HEAs behaves quite differently from the chemically ordered Kondo lattices but quite similar to the RE-containing magnetic metallic glasses and randomly chemically disordered Kondo lattices of the chemical formula RE1_xRE2_1−xM (with RE1 being magnetic and RE2 being nonmagnetic). The main reason for the similarity between HEAs and the metallic glasses and chemically disordered Kondo lattices appears to be the absence of a periodic 4f sublattice in these systems, which prevents the formation of a coherent state between the 4f-scattering sites in the $T\to$ 0 limit. The crystal-glass duality of HEAs does not bring conceptually new features to the Kondo effect that would not be already present in other disordered dense Kondo systems. This study broadens the classification of HEAs to correlated electron systems. Full article

Conducting high-temperature tests on ceramics-containing lithium, which are employed as tritium breeding materials, plays a crucial role in comprehending their ability to withstand degradation and maintain their strength properties throughout operation. From the standpoint of fusion research, it is imperative to grasp these phenomena in order to guarantee the safety and effectiveness of reactors. Additionally, these factors could impact the choice of particular materials and designs for blanket materials. The primary objective of this research is to evaluate alterations in the strength characteristics of ceramics-containing lithium when subjected to high-temperature thermal stability tests, while also preserving the hardness stability and resistance to cracking in ceramics subjected to cyclic tests. Lithium-containing ceramics based on lithium titanate (Li₂TiO₃), lithium orthosilicate (Li₄SiO₄), and lithium methacyrconate (Li₂ZrO₃), having a high structural ordering degree and good strength properties, were chosen as objects for assessing resistance to high-temperature degradation. During the studies, it was discovered that the presence of interphase boundaries in the composition of ceramics linked to the development of impurity phases results in crack resistance growth during long-term high-temperature tests simulating the stress effect on the material. At the same time, an assessment of high-temperature aging as a result of modeling destruction processes showed that ceramics based on lithium metazirconate are the most resistant to degradation of strength properties. By simulating high-temperature aging processes, it became feasible to establish connections between structural alterations resulting from the thermal expansion of the crystal lattice and oxygen migration phenomena occurring at elevated temperatures. These factors collectively contribute to a detrimental reduction in the strength properties of ceramics-containing lithium. Full article

Low-energy nuclear reactions are known to be extremely dependent on the local crystal structure and crystal defects of the deuterated samples. This has a strong influence on both hydrogen diffusion and the effective electron mass. The latter determines the strength of the local electron-screening effect and can change the deuteron–deuteron reaction rates at very low energies by many orders of magnitude. In the present study, zirconium samples were exposed to various conditions and energies of deuteron beams using the unique accelerator system with ultra-high vacuum, installed in the eLBRUS laboratory at the University of Szczecin. Irradiated and virgin samples were investigated by means of the X-ray diffraction (XRD) and positron annihilation spectroscopy (PAS). While the first method delivers information about changes of crystal lattice parameters and possible production of hydrides accompanying the formation of dislocations that are produced during irradiation of the samples, the second one can determine the depth distribution of crystal defects, being especially sensitive to vacancies. The studied Zr samples were also implanted by carbon and oxygen ions in order to simulate the real situation taking place in nuclear reaction experiments and to investigate their influence on the kinetic of produced vacancies. The observed enhancement of the electron-screening effect in the deuteron fusion reaction at very low energies could be explained by formation of a high number of vacancies during the deuteron irradiation of samples. Possible carbon and oxygen impurities can affect this process in various ways by changing the depth distribution of vacancies and their diffusion, but they play only a minor role in the strength of the electron-screening effect. Full article