Crystal Surface Research Articles

Non-monotonic dependence of high-temperature stability of stone wool fibres on pre-oxidation time and temperature

Stone wool is a sustainable, fire-safe insulation material, and its fire-safety depends on its high-temperature stability (HTS). It is known that the HTS of stone wool fibres can be enhanced by pre-oxidation (i.e., heat treatment in air) at temperatures below or at its glass transition temperature (Tg). However, so far, a quantitative trend of HTS with varying pre-oxidation temperature (Tpre-ox) and time (tpre-ox) remains unknown. In this study, we quantified the change of HTS of stone wool fibres with a Tg of 677 °C as functions of both Tpre-ox and tpre-ox through a hot-stage microscope. The derived results revealed striking non-monotonic trends in the HTS of stone wool fibres. The HTS first increased with Tpre-ox from 500 to 630 °C for tpre-ox of 15 minutes, but declined beyond 630 °C. The HTS was significantly improved upon pre-oxidation for merely 2 minutes, at 677 °C, then dropped with extending tpre-ox to 16 hours, and finally increased again with tpre-ox up to 16 days. The origin of the non-monotonic trend was explored by characterizing the crystallization behaviour, thermal expansion, surface composition, and surface morphology in stone wool fibres after pre-oxidation.

Interplay between charge and spin noise in the near-surface theory of decoherence and relaxation of C3v symmetry qutrit spin-1 centers

Decoherence and relaxation of solid-state defect qutrits near a crystal surface, where they are commonly used as quantum sensors, originate from charge and magnetic field noise. A complete theory requires a formalism for decoherence and relaxation that includes all Hamiltonian terms allowed by the defect's point-group symmetry. This formalism, presented here for the C3v symmetry of a spin-1 defect in a diamond, silicon carbide, or similar host, relies on a Lindblad dynamical equation and clarifies the relative contributions of charge and spin noise to relaxation and decoherence, along with their dependence on the defect spin's depth and resonant frequencies. The calculations agree with the experimental measurements of Sangtawesin [], and corroborate the importance of charge noise. Published by the American Physical Society 2024

Strong Magnetic p-n Heterojunction Fe3O4-FeWO4 for Photo-Fenton Degradation of Tetracycline Hydrochloride

With the abuse of antibiotics, its pollution poses an increasing threat to the environment and human health. Effective degradation of organic pollutants in water bodies is urgent. Compared to traditional treatment methods, advanced oxidation processes that have developed rapidly in recent years are more environmentally friendly, efficient and applicable to a wider range of organic compounds. FeWO4 was used in this study as the iron-based semiconductor material to modify and optimize the material design. Fe3O4/FeWO4 composites were prepared by a two-step hydrothermal method. The crystal structure, surface morphology, electrochemical properties and separability of the composite semiconductor were analyzed by XRD, XPS, UV-vis, SEM, EDS and Mott-Schottky. The results showed that, when the initial contaminant concentration was 30 mg/L, the initial solution pH was 4, the dosage of the catalyst was 25 mg and the dosage of hydrogen peroxide was 30 μL, the degradation efficiency of tetracycline hydrochloride (TCH) could reach 91% within 60 min, which was significantly improved compared to the performance of the single semiconductors Fe3O4 and FeWO4. In addition, the catalyst prepared in this experiment can be easily recovered by magnetic separation technology in practical application, which will not affect the turbidity of water while reducing the cost of catalyst separation and recovery.

Demonstrating a Quartz Crystal Microbalance with Dissipation (QCMD) to Enhance the Monitoring and Mechanistic Understanding of Iron Carbonate Crystalline Films.

This paper reports the real time monitoring of siderite deposition, on both Au- and Fe-coated surfaces, using the changes in frequency and dissipation of quartz crystal microbalance with dissipation (QCMD). In an iron chloride solution saturated with carbon dioxide, buffered with sodium bicarbonate to pH 6.8, roughly spherical particles of siderite formed within 15 min, which subsequently deposited on the QCMD crystal surface. Imaging of the surface showed a layer formed from particles ca. < 0.5 μm in diameter. Larger particles are clearly deposited on top of the lower layer; these larger particles are >1 μm in diameter. Monitoring of the frequency clearly differentiates the formation of the lower layer from the larger crystals deposited on top at later times. The elastic moduli calculated from QCMD data showed a progressive dissipation increase; the modeling of the solid-liquid interface using a flat approximation resulted in a poor estimation of elastic and storage moduli. Rather, the impedance modeled as a viscoelastic layer in contact with a semi-infinite liquid, where a random bumpy surface with a Gaussian correlator is used, is much more accurate in determining the elastic and storage moduli as losses from the uneven interface are considered. A further step considers that the film is in fact a composite consisting of hard spherical particles of siderite with water in the vacant spaces. This is treated by considering the individual contributions of the phases to the losses measured, thereby further improving the accuracy of the description of the film and the QCMD data. Collectively, this work presents a new framework for the use of QCMD, paired with traditional approaches, to enhance the understanding of crystal deposition and film formation as well as quantify the often evolving mechanical properties.

Study on dynamic behavior of atomic diffusion at interface between TiAlN coating and WC matrix

Abstract The molecular dynamics method was used to simulate the dynamic behavior change of atomic diffusion at interface between TiAlN coating and WC matrix in the carbide tool with TiAlN coating. It was determined that the one-way diffusion of C atom to TiAlN coating resulted in serious lattice distortion on the surface. Meanwhile, the whole diffusion process was accompanied by the continuous increase of stress, resulting in gradual deformation of the material. The interface bonding performance also decreases. Then, the surface energy and atomic layer convergence are calculated by the first-principles method. The TiAlN crystal surface is stable at 8 atomic layers, and the WC crystal surface is stable at 6 atomic layers, and then a stable microinterface model can be built. The relaxation processing for the established model was performed to determine the diffusion path of C atom. Then, the energy barrier, adhesion work, interface energy and fracture toughness of different transition state structures in the diffusion path of C atom are calculated, and it is determined that with the deepening of the diffusion of C atom in the coating, the binding ability of the interface of the coating base and the performance of the coating tool are more and more serious damage. Finally, the cutting experiment of TiAlN coated tool is designed. According to the surface topography of TiALN coated tool in different periods, the simulation and theoretical analysis mentioned above are verified, which provides a theoretical basis for the subsequent research on improving the performance of coated tool.&amp;#xD;

Novel magnetic iron oxide-dextran sulphate nanocomposites as potential anticoagulants: Investigating interactions with blood components and assessing cytotoxicity

Examining the critical role of anticoagulants in medical practice, particularly their central function in preventing abnormal blood clotting, is of the utmost importance. However, the study of interactions between blood proteins and alternative anticoagulant nano-surfaces is still understood poorly. In this study, novel approach involving direct functionalisation of magnetic iron oxide nanoparticles (MNPs) as carriers with sulphated dextran (s-dext) is presented, with the aim of evaluating the potential of magnetically-responsive MNPs@s-dext as anticoagulants. The physicochemical characterisation of the synthesised MNPs@s-dext includes crystal structure analysis, morphology study, surface and electrokinetic properties, thermogravimetric analysis and magnetic properties` evaluation, which confirms the successful preparation of the nanocomposite with sulfonate groups. The anticoagulant potential of MNPs@s-dext was investigated using a standardised activated partial thromboplastin time (APTT) test and a modified APTT test with a quartz crystal microbalance with dissipation (QCM-D) which confirmed the anticoagulant effect. Time-resolved solid-liquid interactions between the MNPs@s-dext and model blood proteins bovine serum albumin and fibrinogen were also investigated, to gain insight into their hemocompatibility, and revealed protein-repellence of MNPs@s-dext against blood proteins. The study also addressed comprehensive cytotoxicity studies of prepared nanocomposites, and provided valuable insights into potential applicability of MNPs@s-dext as a promising magnetic anticoagulant in biomedical contexts.

Interplanar spacing and nanosheet thickness regulation of carbon nitride and its “cold” catalytic hydrogen production performance under 10 W LED irradiation

Investigation of hydrogen production catalysis under low-temperature and low-power light irradiation, such as LEDs, is important for energy conservation in cold natural conditions. Interlayer charge transfer in g-C3N4 nanosheets is influenced by the crystal face spacing and nanosheet thickness, due to rapid photogenerated carrier recombination and slow charge transfer, thus enhancing hydrogen production capabilities. Few studies have controlled both crystal face spacing and nanosheet thickness simultaneously. In this research, copper-phosphorus co-doped g-C3N4 was synthesized through one-step thermal polymerization, achieving both control over nanosheet thickness and crystal surface spacing. The hydrogen production rate of 0.5 %Cu/1 %P doped g-C3N4 was increased by 5.25 times and reached 958.98 μmol/g/h under 10 °C and 10 W LED illumination. Copper and phosphorus doping that reduced (002) surface spacing of g-C3N4, resulting in thinner nanosheets. This structural modification facilitated interlayer charge transfer and suppressed photogenerated carrier recombination. This research provides a novel insight and strategy for designing hydrogen production photocatalyst at low temperatures and with low energy consumption.

Blade-Coating (100)-Oriented α-FAPbI3 Perovskite Films via Crystal Surface Energy Regulation for Efficient and Stable Inverted Perovskite Photovoltaics.

Photoactive formamidinium lead triiodide (α-FAPbI3) perovskite has dominated the prevailing high-performance perovskite solar cells (PSCs), normally for those spin-coated, conventional n-i-p structured devices. Unfortunately, α-FAPbI3 has not been made full use of its advantages in inverted p-i-n structured PSCs fabricated via blade-coating techniques owing to uncontrollable crystallization kinetics and complicated phase evolution of FAPbI3 perovskites. Herein, a customized crystal surface energy regulation strategy has been innovatively developed by incorporating 0.5 mol% of N-aminoethylpiperazine hydroiodide (NAPI) additive into α-FAPbI3 crystal-derived perovskite ink, which enabled the formation of phase-pure, highly-oriented α-FAPbI3 films. We deciphered the phase transformation mechanisms and crystallization kinetics of blade-coated α-FAPbI3 perovskite films via combining a series of in-situ characterizations. Interestingly, the strong chemical interactions between the NAPI and inorganic Pb-I framework help to reduce the surface energy of (100) crystal plane by 42%, retard the crystallization rate and lower the formation energy of α-FAPbI3. The resultant blade-coated inverted PSCs based on (100)-oriented α-FAPbI3 perovskite films realized promising efficiencies up to 24.16% (~26.5% higher than that of the randomly-oriented counterparts), accompanied by improved operational stability. This result represented one of the best performances reported to date for FAPbI3-based inverted PSCs fabricated via scalable deposition methods.

Blade‐Coating (100)‐Oriented α‐FAPbI3 Perovskite Films via Crystal Surface Energy Regulation for Efficient and Stable Inverted Perovskite Photovoltaics

Photoactive formamidinium lead triiodide (α‐FAPbI3) perovskite has dominated the prevailing high‐performance perovskite solar cells (PSCs), normally for those spin‐coated, conventional n‐i‐p structured devices. Unfortunately, α‐FAPbI3 has not been made full use of its advantages in inverted p‐i‐n structured PSCs fabricated via blade‐coating techniques owing to uncontrollable crystallization kinetics and complicated phase evolution of FAPbI3 perovskites. Herein, a customized crystal surface energy regulation strategy has been innovatively developed by incorporating 0.5 mol% of N‐aminoethylpiperazine hydroiodide (NAPI) additive into α‐FAPbI3 crystal‐derived perovskite ink, which enabled the formation of phase‐pure, highly‐oriented α‐FAPbI3 films. We deciphered the phase transformation mechanisms and crystallization kinetics of blade‐coated α‐FAPbI3 perovskite films via combining a series of in‐situ characterizations. Interestingly, the strong chemical interactions between the NAPI and inorganic Pb‐I framework help to reduce the surface energy of (100) crystal plane by 42%, retard the crystallization rate and lower the formation energy of α‐FAPbI3. The resultant blade‐coated inverted PSCs based on (100)‐oriented α‐FAPbI3 perovskite films realized promising efficiencies up to 24.16% (~26.5% higher than that of the randomly‐oriented counterparts), accompanied by improved operational stability. This result represented one of the best performances reported to date for FAPbI3‐based inverted PSCs fabricated via scalable deposition methods.

Molecular dynamics simulation on crystal morphology of NH4ClO4.

Ammonium perchlorate (NH4ClO4, abbreviated as AP) has the advantages of high oxygen content, high density, and good compatibility, and has significant application prospects in the field of energetic materials. The crystal morphology has a great influence on the properties and sensibility of energetic materials, and a single experimental means is difficult in exploring the crystals; therefore, the crystal morphology of AP is investigated using molecular dynamics simulation complemented with experiments, to theoretically analyze the differences in AP crystal habit and the interactions between solvent molecules and the main growing crystal surfaces of AP. The results show that AP crystal is mainly composed of five independent crystal surfaces (0 0 1), (0 1 0), (1 0 0), (1 0 1), and (1 0 -1) in vacuum using the BFDH laws, with (0 0 1) surface being the main growth crystal surface. In contrast, in H2O solvent, the (1 0 1) and (1 0 -1) surfaces disappear, and the AP mainly consists of (0 0 1), (0 1 0), and (1 0 0) surfaces with a rectangular shape. The crystal morphology obtained from theoretical prediction is in good agreement with that obtained from experimental culture. This paper can provide a new idea for the cultivation and preparation of AP large crystals, and promote the application of AP crystals in energetic materials. The crystal morphologies of AP in vacuum and H2O solvent under Dreiding force field were predicted based on attachment energy model by using molecular dynamics method in Materials Studio 2019 software. The entire molecular dynamics simulation was carried out under the NTV system, the temperature control method was selected as Anderson, and the system temperature was set to 298 K. The simulation time was set to 40 ps, the step size was set to 1 fs, and the data were outputted every 5000 steps.

Anisotropy Dependence of Material Deformation Mechanisms in Nanoscratching Monocrystalline BaF2: Experiments and Atomic Simulations.

Monocrystalline barium fluoride (BaF2), known for its exceptional optical properties in the infrared spectrum, exhibits anisotropy that influences surface quality and material removal efficiency during ultraprecision machining. This research explores the impact of anisotropy on the deformation and removal mechanisms of monocrystalline BaF2 by integrating nanoscratch tests with molecular dynamics (MD) simulations. Nanoscratch tests conducted on variously oriented monocrystalline BaF2 surfaces using a ramp loading mode facilitated the identification of surface cracks and a systematic description of material removal behaviors. This study elucidates the effect of crystal orientation on the ductile-brittle transition (DBT) of monocrystalline BaF2, further developing a critical depth prediction model for DBT on the (111) crystal plane to reveal the underlying anisotropy mechanisms. Moreover, nanofriction and wear behaviors in monocrystalline BaF2 are found to be predominantly influenced by scratch direction, crystal surface, and applied load, with the (110) and (100) planes showing pronounced frictional and wear anisotropy. A coefficient of friction model, accounting for the material's elastic recovery, establishes the intrinsic relationship between anisotropic friction and wear behaviors, the size effect, and scratch direction. Lastly, MD modeling of nanoscratched monocrystalline BaF2 reveals the diversity of dislocations and strain distributions along the (111) [-110] and [-1-12] crystal directions, offering atomic scale insights into the origins of BaF2 anisotropy. Thus, this study provides a theoretical foundation for the efficient processing of fluorine-based infrared optic materials exhibiting anisotropy.

Adsorptive removal of oxytetracycline antibiotics on magnetic nanoparticles NiFe2O4/Au: Characteristics, mechanism and theoretical calculations

This investigation aims to develop a specialized adsorbent for the efficient removal of Oxytetracycline (OTC) from complex matrices. We employed a magnetic composite, NiFe2O4/Au (NFO/Au), as the adsorbent, which exhibited remarkable ease of material recovery due to the reasonable magnetic property of NFO. Simultaneously, gold nanoparticles (AuNPs) on the NFO surface amplified the material's adsorption capacity by demonstrating a strong affinity for the amine groups within the OTC structure. The crystal and morphological structure and surface chemistry of the prepared material were identified by XRD, TEM, BET, and XPS. Their magnetic and optical properties were studied by VSM and UV-VIS. Cubic or rectangular shapes (50–100 nm) of NFO were surrounded by spherical AuNPs (10–30 nm). The saturation magnetization slightly decreased from 33 emu/g to 30 emu/g upon coating the NFO surface with AuNPs, which still ensures good magnetism of the composite. A maximum adsorption capacity of 43.48 mg/g was achieved at optimum adsorption conditions. The novel adsorbent exhibits fast adsorption after 30 min, high adsorption capacity, and good reusability after five cycles. The adsorption equilibrium adhered to a monolayer Langmuir isotherm, while the adsorption kinetics followed pseudo-second-order kinetics and the intraparticle diffusion models. The first principle calculation based on the density functional theory revealed that the fundamental reason behind the enhanced adsorption capacity is through greater electron populations, more negative binding energy, and higher effective charge transfer. This composite material was employed to remove OTC from water samples taken from a shrimp pond, demonstrating an impressive adsorption efficiency of approximately 90 %.

The Influence of Varying Ar/O2 Gas Ratio with Catalyst-Free Growth by Homemade Thermal Evaporation Technique

A nanostructured zinc oxide (ZnO) with different percentages of argon and oxygen gas flow rate was deposited on a silicon wafer by a simple hot tube thermal evaporation technique. The effect of different percentages of gas flow rate on the crystal structure, surface morphology and optical properties were characterized using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) and RAMAN spectroscopy, respectively. The changes of morphologies from FESEM were significant where the grown ZnO nanostructures show three different shapes which are nanotripods, nanoclusters and nanorods at 5%, 10% and 25% of oxygen gas, respectively. EDX results revealed that Zn and O elements have a major percentage in the sample indicating a composition has high purity of ZnO. XRD patterns displayed the most intense diffraction peak of ZnO at (101), which exhibited a single crystalline hexagonal structure with preferred growth orientation in the c-axis. RAMAN scattering study found that synthesized ZnO shows the high intensity of E2 mode and low intensity of E1 mode attributed to all the samples having good crystal quality containing fewer structural defects. In conclusion, the E15 sample with a 25% oxygen gas flow rate was selected as an optimum result for synthesizing a homogenous surface and high crystallinity of ZnO by using a hot tube thermal evaporation process. This work can enhance the development of ZnO production in various applications.

The Influence of Varying Ar/O2 Gas Ratio with Catalyst-Free Growth by Homemade Thermal Evaporation Technique

A nanostructured zinc oxide (ZnO) with different percentages of argon and oxygen gas flow rate was deposited on a silicon wafer by a simple hot tube thermal evaporation technique. The effect of different percentages of gas flow rate on the crystal structure, surface morphology and optical properties were characterized using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) and RAMAN spectroscopy, respectively. The changes of morphologies from FESEM were significant where the grown ZnO nanostructures show three different shapes which are nanotripods, nanoclusters and nanorods at 5%, 10% and 25% of oxygen gas, respectively. EDX results revealed that Zn and O elements have a major percentage in the sample indicating a composition has high purity of ZnO. XRD patterns displayed the most intense diffraction peak of ZnO at (101), which exhibited a single crystalline hexagonal structure with preferred growth orientation in the c-axis. RAMAN scattering study found that synthesized ZnO shows the high intensity of E2 mode and low intensity of E1 mode attributed to all the samples having good crystal quality containing fewer structural defects. In conclusion, the E15 sample with a 25% oxygen gas flow rate was selected as an optimum result for synthesizing a homogenous surface and high crystallinity of ZnO by using a hot tube thermal evaporation process. This work can enhance the development of ZnO production in various applications.

Porous hollow sphere structure PrFeO3 as an efficient sensing material for n-butanol detection

N-butanol is a harmful volatile gas, so creating an appropriate n-butanol sensor is critical for preserving human health and the manufacturing environment. In contrast to single metal oxide semiconductors, multicomponent metal oxides, especially perovskite ternary metal oxides with the ABO3 structure, exhibit significant potential for development owing to their precise structures and diverse physicochemical properties. In this paper, three-dimensional porous hollow spheres PrFeO3 were synthesized by combining air annealing and hydrothermal techniques. The crystal structure, surface composition, chemical state, and morphology of PrFeO3 materials were evaluated using several kinds of characterization approaches. The gas sensitivity of PrFeO3 materials was also thoroughly explored. The results show that at the optimal working temperature of 280 ℃, the PrFeO3 material excels in n-butanol gas sensing, with a response of 85 for 100 ppm n-butanol. Additionally, the sensor demonstrates high selectivity for n-butanol gases, low concentration detection capability, outstanding repeatability, rapid reaction recovery time (18 s/13 s), long-term stability, and exceptional reproducibility. The unique morphology and high oxygen vacancy content of PrFeO3 provide numerous active sites on its surface, promoting the adsorption and desorption of n-butanol gas molecules and enhancing its gas-sensitive properties.

Influence of Different Ions on Pulse Electrodeposition of CaCO3 Scales in the Simulated Seawater.

In the circulating water system of coastal power plants, various kinds of ions have a great influence on the formation and growth of CaCO3 scales. This paper focuses on investigating the influence of existing ions on the pulse electrodeposition behaviors of CaCO3 scales. Different concentrations of ions, such as Fe3+, Mg2+, PO43- and SiO32-, are introduced to simulate the actual seawater environment, and their influence on the CaCO3 scale deposition behaviors is assessed by linear sweep voltammetry, chronoamperometry, and electrochemical impedance spectroscopy tests. The surface coverage of the CaCO3 scale layer is evaluated through the residual current density and polarization resistance values, while the crystal structure and surface compactness of the layer are confirmed by the scanning electron microscope and X-ray diffractometer tests. Results indicate that high concentrations of Mg2+, Fe3+, and PO43- ions have the most significant inhibitory effect on the pulse electrodeposition of CaCO3 scales, among which the inhibition effect of Mg2+ ions is mainly reflected in the change of crystal morphology of CaCO3, that is, the crystallization growth process is inhibited. The inhibition effect of PO43- ions is mainly reflected in the gradually reduced coverage and density of CaCO3 crystals on the electrode surface, suggesting that the crystallization nucleation process is inhibited, while Fe3+ ions have a certain inhibition effect on both the crystallization nucleation and growth processes. Furthermore, lower concentrations of SiO32- ions also display a significant inhibition effect on the crystallization nucleation and growth process, and the inhibition effect weakens with increased concentration. This study provides a theoretical basis for exploring the removal of ions in the industrial water softening field.

Revealing La doping activation or inhibition of crystal facet effects in Co3O4 for catalytic combustion and water resistance improvement

It was challenging to enhance the catalytic activity and water resistance of transition metal oxides in the CH4 treatment process. Here, La with large atomic radii was doped onto Co3O4 on the (110), (111) and (100) crystal facets, respectively, and successfully doped into the (110) and (100) lattices, but accumulation occurs on the (111) crystal surface. Doping La into the Co3O4 lattice achieved a dual excitation effect for surface optimization and structural defects, causing lattice expansion, enhancing the electrophilicity of the O atoms in the vicinity of La, and significantly stimulating the Co-O bond. This significantly improved reactive oxygen species content, CH4 adsorption capacity, and gaseous oxygen activation and replenishment capability for higher catalytic activity. Conversely, the (111) facet with accumulated La showed an opposite trend. Meanwhile, La doping effectively improved the stability of Co3O4 and weakened its hydrophilicity, which effectively enhanced its water resistance. This research provided a viable strategy for designing high-performance and water-resistant Co3O4-based catalysts.

Effective removal and immobilization of radioactive iodate from aqueous solution by iron-gallic acid@palygorskite nanohybrid

Here, we developed a new low-cost and high-efficiency adsorbent, iron-gallic acid@palygorskite nanohybrid, for removing and immobilizing radioactive IO3- from wastewater. The results show that the key factor affecting the adsorption performance of the hybrid is the reaction time, which determines the degree of coating of GA-Fe(II) nanoparticles on the palygorskite. These nanoparticles are very randomly distributed on the surface of palygorskite rod-shaped crystals or combined with a large number of rod-shaped accumulations of palygorskite. In addition to the GA-Fe(II) complex formed at a molar ratio of 1:1, there are also iron elements in the hybrid that may be fixed to the surface and lattice of the palygorskite by ion exchange and isomorphic substitution. The adsorption process conforms to the pseudo-second-order kinetic model and Langmuir isotherm model, with a maximum adsorption capacity of 78.37 mg/g. It is also a spontaneous, endothermic, and disorder-increasing process. The extremely low desorption efficiencies confirm that the GA-Fe(II) complex exhibits strong chemical adsorption with the iodate, and the positively charged sites such as ferrous and iron ions presented in the palygorskite can also be fixed to the iodate through electrostatic attraction. Therefore, this adsorbent exhibits good application potential in the treatment of radioactive iodate wastewater.

Collimated beam formation in 3D acoustic sonic crystals

We demonstrate strongly collimated beam formation, at audible frequencies, in a three-dimensional acoustic phononic crystal where the wavelength is commensurate with the crystal elements; the crystal is a seemingly simple rectangular cuboid constructed from closely-spaced spheres, and yet demonstrates rich wave phenomena acting as a canonical three-dimensional metamaterial. We employ theory, numerical simulation and experiments to design and interpret this collimated beam phenomenon and use a crystal consisting of a finite rectangular cuboid array of 4×10×10 polymer spheres 1.38 cm in diameter in air, arranged in a primitive cubic cell with the centre-to-centre spacing of the spheres, i.e. the pitch, as 1.5 cm. Collimation effects are observed in the time domain for chirps with central frequencies at 14.2 kHz and 18 kHz, and we deployed a laser feedback interferometer or Self-Mixing Interferometer – a recently proposed technique to observe complex acoustic fields—that enables experimental visualisation of the pressure field both within the crystal and outside of the crystal. Numerical exploration using a higher-order multi-scale finite element method designed for the rapid and detailed simulation of 3D wave physics further confirms these collimation effects and cross-validates with the experiments. Interpretation follows using High Frequency Homogenization and Bloch analysis whereby the different origin of the collimation at these two frequencies is revealed by markedly different isofrequency surfaces of the sonic crystal.

Novel magnetic iron oxide-dextran sulphate nanocomposites as potential anticoagulants: Investigating interactions with blood components and assessing cytotoxicity

Examining the critical role of anticoagulants in medical practice, particularly their central function in preventing abnormal blood clotting, is of the utmost importance. However, the study of interactions between blood proteins and alternative anticoagulant nano-surfaces is still understood poorly. In this study, novel approach involving direct functionalisation of magnetic iron oxide nanoparticles (MNPs) as carriers with sulphated dextran (s-dext) is presented, with the aim of evaluating the potential of magnetically-responsive MNPs@s-dext as anticoagulants. The physicochemical characterisation of the synthesised MNPs@s-dext includes crystal structure analysis, morphology study, surface and electrokinetic properties, thermogravimetric analysis and magnetic properties` evaluation, which confirms the successful preparation of the nanocomposite with sulfonate groups. The anticoagulant potential of MNPs@s-dext was investigated using a standardised activated partial thromboplastin time (APTT) test and a modified APTT test with a quartz crystal microbalance with dissipation (QCM-D) which confirmed the anticoagulant effect. Time-resolved solid-liquid interactions between the MNPs@s-dext and model blood proteins bovine serum albumin and fibrinogen were also investigated, to gain insight into their hemocompatibility, and revealed protein-repellence of MNPs@s-dext against blood proteins. The study also addressed comprehensive cytotoxicity studies of prepared nanocomposites, and provided valuable insights into potential applicability of MNPs@s-dext as a promising magnetic anticoagulant in biomedical contexts.