Understanding thermal transport at the submicron scale is crucial for engineering applications, especially in the thermal management of electronics and tailoring the thermal conductivity of thermoelectric materials. At the submicron scale, the macroscopic heat diffusion equation is no longer valid and the phonon Boltzmann transport equation (BTE) becomes the governing equation for thermal transport. However, previous thermal simulations based on the phonon BTE have two main limitations: relying on empirical parameters and prohibitive computational costs. Therefore, the phonon BTE is commonly used for qualitatively studying the non-Fourier thermal transport phenomena of toy problems. In this work, we demonstrate an ultra-efficient and parameter-free computational method of the phonon BTE to achieve quantitatively accurate thermal simulation for realistic materials and devices. By properly integrating the phonon properties from first-principles calculations, our method does not rely on empirical material properties input. It can be generally applicable for different materials and the predicted results can match well with experimental results. Moreover, by developing a suitable ensemble of advanced numerical algorithms, our method exhibits superior numerical efficiency. The full-scale (from ballistic to diffusive) thermal simulation of a 3-dimensional fin field-effect transistor with 13 million degrees of freedom, which is prohibitive for existing phonon BTE solvers even on supercomputers, can now be completed within two hours on a single personal computer. Our method makes it possible to achieve the predictive design of realistic nanostructures for the desired thermal conductivity. It also enables accurately resolving the temperature profiles at the transistor level, which helps in better understanding the self-heating effect of electronics.

Semiconductor hollow spheres have garnered significant attention in recent years due to their unique structural properties and enhanced surface area, which are advantageous for various applications in catalysis, energy storage, and sensing. The present study explores the surfactant-assisted synthesis of bismuth ferrite (BiFeO3) hollow spheres, emphasizing their enhanced visible-light photocatalytic activity. Utilizing a novel, facile, two-step evaporation-induced self-assembly (EISA) approach, monodisperse BiFeO3 hollow spheres were synthesized with a narrow particle size distribution. The synthesis involved Bi/Fe citrate complexes as precursors and the triblock copolymer Pluronic P123 as a soft template. The BiFeO3 hollow spheres demonstrated outstanding photocatalytic performance in degrading the emerging pollutants Rhodamine B and metronidazole under visible-light irradiation (100% degradation of Rhodamine B in <140 min and of metronidazole in 240 min). The active species in the photocatalytic process were identified through trapping experiments, providing crucial insights into the mechanisms and efficiency of semiconductor hollow spheres. The findings suggest that the unique structural features of BiFeO3 hollow spheres, combined with their excellent optical properties, make them promising candidates for photocatalytic applications.

Metal and metal oxide nanostructured materials have been chemically and physically characterized and tested concerning methylene blue (MB) photoremoval and UV antibacterial activity against Escherichia coli and Staphylococcus aureus. In detail, silver nanoparticles and commercial BaTiO3 nanoparticles were modified to obtain nanocomposites through sonicated sol-gel TiO2 synthesis and the photodeposition of Ag nanoparticles, respectively. The characterization results of pristine nanomaterials and synthetized photocatalysts revealed significant differences in specific surface area (SSA), the presence of impurities in commercial Ag nanoparticles, an anatase phase with brookite traces for TiO2-based nanomaterials, and a mixed cubic-tetragonal phase for BaTiO3. Silver nanoparticles exhibited superior antibacterial activity at different dosages; however, they were inactive in the photoremoval of the dye. The silver-TiOx nanocomposite demonstrated an activity in the UV photodegradation of MB and UV inhibition of bacterial growth. Specifically, TiO2/AgNP (30-50 nm) reduced growth by 487.5 and 1.1 × 103 times for Escherichia coli and Staphylococcus aureus, respectively, at a dose of 500 μg/mL under UV irradiation.

Memristive structures are among the most promising options to be components of neuromorphic devices. However, the formation of HfO2-based devices in crossbar arrays requires considerable time since electroforming is a single stochastic operation. In this study, we investigate how Ar+ plasma immersion ion implantation (PI) affects the Pt/HfO2 (4 nm)/HfOXNY (3 nm)/TaN electroforming voltage. The advantage of PI is the simultaneous and uniform processing of the entire wafer. It is thought that Ar+ implantation causes defects to the oxide matrix, with the majority of the oxygen anions being shifted in the direction of the TaN electrode. We demonstrate that it is feasible to reduce the electroforming voltages from 7.1 V to values less than 3 V by carefully selecting the implantation energy. A considerable decrease in the electroforming voltage was achievable at an implantation energy that provided the dispersion of recoils over the whole thickness of the oxide without significantly affecting the HfOXNY/TaN interface. At the same time, Ar+ PI at higher and lower energies did not produce the same significant decrease in the electroforming voltage. It is also possible to obtain self-compliance of current in the structure during electroforming after PI with energy less than 2 keV.

Toxic gases are used in different types of industries and thus, present a potential health hazard. Therefore, highly sensitive gas sensing materials are essential for the safety of those operating in their environments. A process involving electrospinning polymer solutions impregnated with transition metal ions are developed to yield nanofibers that are annealed to form graphitic carbon / nickel nanoparticle-based fibers for gas sensing applications. The performance of these gas sensors is strongly related to the ability to control the material parameters of the active material. As the formation of these nanostructures, which nucleate within solid carbon scaffolds, have not been investigated, the growth mechanisms are look to understand in order to exert control over the resulting material. Evaluation of these growth mechanisms are conducted through a combination of thermogravimetric analysis with mass spectrometry (TGA-MS), x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and x-ray photoelectron spectroscopy (XPS) and reveal nucleation of nickel at the onset of the polymer scaffold decomposition with subsequent growth processes, including surface diffusion, aggregation, coalescence and evaporation condensation, that are activated at different temperatures. Gas sensing experiments conducted on analyte gases demonstrate good sensitivity and response times, and significant potential for use in other energy and environmental applications.

Scintillating materials emit light when exposed to ionizing radiation or particles and are used for the detection of nuclear threats, medical imaging, high-energy physics, and other usages. For some of these applications, it is vital to distinguish neutrons and charged particles from γ-rays. This is achievable by pulse shape discrimination (PSD), a time-gated technique, which exploits that the scintillation kinetics can depend on the nature of the incident radiation. However, it proves difficult to realize efficient PSD with plastic scintillators, which have several advantages over liquid or crystalline scintillating materials, including mechanical robustness and shapeability. It is shown here that sensitive and rapid PSD is possible with nanostructured polymer scintillators that consist of a solid polymer matrix and liquid nanodomains in which an organic dye capable of triplet-triplet annihilation (TTA) is dissolved. The liquid nature of the nanodomains renders TTA highly efficient so that delayed fluorescence can occur at low energy density. The nanostructured polymer scintillators allow discriminating α particles, neutrons, and γ-rays with a time response that is better than that of commercial scintillators. Exploiting that the liquid nanodomains can facilitate energy transfer processes otherwise difficult to realize in solid polymers, an auxiliary triplet sensitizer is incorporated. This approach further increases the scintillator\'s sensitivity toward α particles and neutrons and other high-energy processes where localized interactions are involved.

Weaving of organic compounds on the molecular level is an intriguing challenge and promises to provide materials that combine high elasticity with strength and fracture toughness. Yet, the formation of crossing points between molecular threads in defined and regular distances to create an interwoven network is not trivial. To date, only a few examples of wholly organic weaves have been reported. Within this review we present the different strategies that enabled their formation and highlight the structural features of the obtained nanostructured materials. We expect these pioneering studies to pave the way to many more organic molecular weaves with more and more sophisticated topologies and exquisite mechanical properties.

While polyethylene terephthalate (PET) has enjoyed widespread use, a large volume of plastic waste has also been produced as a result, which is detrimental to the environment. Traditional treatment of plastic waste, such as landfilling and incinerating waste, causes environmental pollution and poses risks to public health. Recycling PET waste into useful chemicals or upcycling the waste into high value-added materials can be remedies. This review first provides a brief introduction of the synthesis, structure, properties, and applications of virgin PET. Then the conversion process of waste PET into high value-added materials for different applications are introduced. The conversion mechanisms (including degradation, recycling and upcycling) are detailed. The advanced applications of these upgraded materials in energy storage devices (supercapacitors, lithium-ion batteries, and microbial fuel cells), and for water treatment (to remove dyes, heavy metals, and antibiotics), environmental remediation (for air filtration, CO2 adsorption, and oil removal) and catalysis (to produce H2, photoreduce CO2, and remove toxic chemicals) are discussed at length. In general, this review details the exploration of advanced technologies for the transformation of waste PET into nanostructured materials for various applications, and provides insights into the role of high value-added waste products in sustainability and economic development.

Significant deformation of the metal structure can be achieved without breaking or cracking the metal. There are several methods for deformation of metal plastics. The most important of these methods are angular channel pressing process, high-pressure torsion, multidirectional forging process, extrusion-cyclic compression process, cumulative climbing connection process, consecutive concreting and smoothing method, high-pressure pipe torsion. The nanocomposite is a multiphase material which the size of one of its phases is less than 100 nm in at least one dimension. Due to some unique properties, metal-based nanocomposites are widely used in engineering applications such as the automotive and aerospace industries. Polymer-based nanocomposites are two-phase systems with polymer-based and reinforcing phases (usually ceramic). These materials have a simpler synthesis process than metal-based nanocomposites and are used in a variety of applications such as the aerospace industry, gas pipelines, and sensors. Severe plastic deformation (SPD) is known to be the best method for producing bulk ultrafine grained and nanostructured materials with excellent properties. Different Severe plastic deformation methods were developed that are suitable for sheet and bulk solid materials. During the past decade, efforts have been made to create effective Severe plastic deformation processes suitable for producing cylindrical tubes. In this paper, we review Severe plastic deformation processes intended to nanostructured tubes, and their effects on material properties and severe plastic deformation is briefly introduced and its common methods for bulk materials, sheets, and pipes, as well as metal background nanocomposites, are concisely introduced and their microstructural and mechanical properties are discussed. The paper will focus on introduction of the tube Severe plastic deformation processes, and then comparison of them based on their advantages and disadvantages from the viewpoints of processing and properties.

In side-chain liquid crystal polymers (SCLCPs), short side chains are attached on a flexible polymer backbone, and each side chain can have a liquid crystal (LC) group attached at the final bead in either an end-on or a side-on configuration. SCLCPs with random sequences of end-on and side-on LC moieties exhibit nonmonotonic thermal behavior as a function of composition, with some mixed sequences having a lower isotropic to LC phase transition than either purely end-on or side-on configurations. The origin of this nonmonotonic thermal trend lies in the disruption of molecular-level positional ordering and alignment due to the different preferred types of ordering of the different LC attachment types. We compare coarse-grained molecular dynamics (MD) simulations and experiments on SCLCP systems with only one type of LC moiety and demonstrate qualitative agreement in the observed mesophases of end-on and side-on SCLCP systems. Specifically, end-on SCLCPs display a smectic B-like mesophase, with layers of polymer between LC layers, while side-on SCLCPs exhibit a quasi-hexagonal columnar structure of polymer and a nematic surrounding the LC mesophase. Detailed analysis of SCLCP systems with various compositions of these types of LC attachments via MD reveals structural disruption in systems with intermediate compositions. Simulation snapshots and anisotropy ratio measurements show how random SCLCP systems deviate from the expected behavior of prolate or oblate systems in terms of their conformation. This molecular disruption in random SCLCP systems, particularly with a high composition of side-on LC moieties, also significantly impacts the relaxation dynamics. Modifying the composition of the LC type of attachment (molecular structure) is a possible route to tuning both the phase behavior and mechanical response of these systems.