First principles calculations are increasingly often used in device modelling. However, due to their complexity and high computational costs, simplified but reliable models are of great value. In this work, we present an original method of finding the 30-band k·p parameters on an example of Ge1-xSnx alloy. It allows to reproduce the electronic band structure in the full BZ and in the full composition

Fiber-based architectures exhibit remarkable advantages in wearable electronics. Despite the various techniques to achieve strain sensitive fibers, important factors concerning the sensing performance, e.g. fiber arrangement, have been rarely explored. Herein, various fiber sensing patterns with anisotropic and isotropic microstructures were fabricated, and their localized strain distribution and conductive

Intelligent materials have the ability to sense the environment and respond to their surrounding accordingly. Herein, the thermally conductive hybrid films were intellectualized by using activated shape memory composite as matrix, which endows hybrid films with active heat dissipation behavior. The obtained hybrid films not only visualize the temperature of the device by the change of shape, but also

We propose a viscoelastic/plastic constitutive equation for viscoelastic media based on irreversible thermodynamics and the viscoelastic theory. Uniaxial tensile tests on a TriA-X polyimide resin are performed at different temperatures and strain rates to determine the material parameters for the constitutive equation. In the numerical analysis, the FORTRAN programming language is used to apply the

Low thermal conductivity (TC) and poor flame retardancy of graphene oxide (GO) have limited its application in thermal management. Herein, a facile strategy is developed to fabricate flexible and free-standing graphene/MXene (GM) films by filtration of MXene and GO dispersions, followed by reduction and thermal welding. As results, interlamellar insertion of MXene into graphene has occurred and optimized

Interleaving composite laminates with nanofibrous mat is one of the most reliable methods for increasing interlaminar fracture toughness. The present study seeks to find out how the damage mechanisms of carbon fiber reinforced polymers (CFRPs), subjected to the mode-I and mode-II fracture tests, are affected while those are modified by interleaved Polyamide 66 (PA66) electrospun layers. For this goal

In recent years, small and medium-span reinforced concrete (RC) beams have suffered severe cracking at bearings and quarter span, and shear diseases have been a severe phenomenon for bridges. Currently, many methods are used for shear strengthening of RC beams, but some questions such as low reinforcement efficiency and poor durability still exist. Although externally bonded fiber reinforced polymer

Functionally graded material has been increasingly attractive due to the locally designed and optimized material properties. In the present paper, to achieve high thermal lattice structural stability and high corrosion resistance in each side of one bulk material, an Fe3Ni–FeNi compositionally graded material (FGM) bulk sample has been fabricated using an innovative wire-arc additive manufacturing

In this work, a novel non-equiamotic Ni47.5Cr23.75Co23.75Ti5 medium-entropy alloy strengthened by heterogeneous precipitates was successfully fabricated. Our results demonstrate heterogeneous precipitation behaviors, i.e. nanosized spherical particles with L12 superlattice in inner grains plus nano-lamellar precipitates with long-period stacking ordered structure nearby grain boundaries, could bring

Total hip replacement is the most effective treatment for late stage osteoarthritis. However, adverse local tissue reactions (ALTRs) have been observed in patients with modular total hip implants. Although the detailed mechanisms of ALTRs are still unknown, fretting corrosion and the associated metal ion release from the CoCrMo femoral head at the modular junction has been reported to be a major factor

In recent years, scaffolds produced in 3D printing technology have become more widespread tool due to providing more advantages than traditional methods in tissue engineering applications. In this research, it was aimed to produce patches for the treatment of tympanic membrane perforations which caused significant hearing loss by using 3D printing method. Polylactic acid(PLA) scaffolds with Chitosan(CS)

In this study, silicone rubber (polydimethylsiloxane) matrix was incorporated with bismuth (III) oxide and hexagonal boron nitride (hBN) functional fillers to develop a flexible composite material that can shield both neutron and X/gamma radiations. Bismuth, as having a high atomic element weight is a very effective material for X/gamma electromagnetic radiation shielding, while hBN has a very high

Aim: The study aimed to assess graphene oxide (GO) adhesive and its dentin interaction using scanning electron microscopy (SEM), MicroRaman spectroscopy and Microtensile bond strength (μTBS). Materials and Methods: Experimental GOA and control adhesives (CA) were fabricated. Presence of GO within the experimental adhesive resin was assessed using SEM and Micro-Raman spectroscopy. Ninety specimens were

Background: Orthodontic treatment with fixed appliances involves sliding of brackets along archwires. These movements involve friction, which causes resistance to sliding. In addition, moments cause teeth to tip until binding occurs between the bracket and archwire. The manufacturer of a new TiMolium®Titanium archwire claims material properties superior to β-Titanium, potentially leading to reduced

Objective: A potential solution for islet transplantation and drug discovery vis-à-vis treating diabetes is the production of functional islets in a three-dimensional extracellular matrix. Although several scaffold materials have been reported as viable candidates, a clinically applicable one that is injectable and can maintain long-term functionality and survival of islet pancreatic beta-cells (β-cells)

The hybrid Strandberg complex materials have attracted intensive interest due to their multifunctional properties. In this work, we report the electronic, optical, and magnetocaloric properties of the novel material (C6H10N2)2[Co(H2O)4P2Mo5O23].6H2O. First principle calculations based on the density functional theory (DFT) have been performed using full-potential linearized augmented plane waves (FP-LAPW)

Endohedral fullerenes with remarkable properties and various potential applications currently constitute a focus area of interest in nanocarbon science. Recently reported endohedral fullerenes exhibiting fine-tuned properties are highly desirable for realizing enhanced functionality. This work systematically investigates endohedral fullerenes containing various atomic or cluster species with ten electrons

Surface functionalization on novel transition metal carbides Ti3C2 MXene has been demonstrated to be effective strategy to broaden potential application. Herein, the effect of surface decoration of transition magnetic metals (Fe-, Co-, Ni-) on the electronic structure and optical properties of Ti3C2 MXene is studied using first principle calculations. Energy band structures and corresponding density

A new graphene derivative C3H monolayer is identified theoretically by swarm-intelligence structural search and first-principles calculations. The single-layer C3H with a planar conformation is built by annular C18H6 units and shows high thermodynamic stability, due to the sp2 hybridization between C atoms. It is a direct bandgap semiconductor with a quasi-particle (QP) gap of 3.44 eV. The valence

We explore higher order dynamical effects in the transport through a two-dimensional nanoscale electron system embedded in a three-dimensional far-infrared photon cavity. The nanoscale system is considered to be a short quantum wire with a single circular quantum dot defined in a GaAs heterostructure. The whole system, the external leads and the central system are placed in a constant perpendicular

As an alternative fuel form, the annular metallic fuel design eliminates the liquid sodium bond between the fuel and the cladding, providing back-end fuel cycle and other benefits. The fuel-cladding chemical interaction (FCCI) of annular fuel also presents new features. Here, state-of-the-art electron microscopy and spectroscopy techniques were used to study the FCCI of a prototype annular U-10wt%Zr

The influence of a reactor overpower transient on irradiated metallic fuel performance was investigated in this work. Such transient studies support safety and performance optimization of future sodium fast reactors. A ternary metallic fuel alloy (U-19Pu-10Zr) in HT-9 cladding which was irradiated in the Experimental Breeder Reactor II (EBR-II) to a burnup of 11 at. %, and then subjected to a 30% overpower

The microstructural evolution in ultra-fine grain (UFG) tungsten reinforced with ZrC particles under ion irradiation was investigated by transmission electron microscopy and compared to the effect of ion irradiation in reference ITER specification tungsten. Here, we report the evolution of the microstructure under heavy ion irradiation to mimic the neutron irradiation damage taking place in a nuclear

This paper investigated the formation of bubbles and precipitates and the hardening effects in V–4Cr–4Ti alloy after irradiation of He and H ions and post-irradiation annealing. Microstructures observation shows that small bubbles formed in as-irradiated samples, and, during the post-irradiation annealing, lath-like precipitates formed and small bubbles grew upon. It was found that bubbles surrounding

We have investigated microstructure and microchemistry of precipitates and dislocation loops in high-burnup M5® using (scanning) transmission electron microscopy ((S)TEM) equipped with energy dispersive X-ray spectroscopy (EDS). Two (S)TEM lamellae were made by cryo-FIB from the same cladding sample. The Nb-rich native precipitates were found in the metal, in the suboxide and in the oxide. Upon diffraction

The optical phonon frequency and damping factor of Cadmium telluride (CdTe) have been investigated by using both the first-principles calculation and terahertz time-domain spectroscopy (TDS) system. The temperature dependence of transverse and longitudinal optical phonon frequency obtained by using the quasi-harmonic approximation is consistent with experimental results at the lower temperature range

Undoped Al0.32Ga0.68As material which was grown by metal-organic chemical vapor deposition at different growth temperature. The evolution mechanism of surface morphology of Al0.32Ga0.68As was explained by the variation of step growth direction and growth rate, which were affected by growth temperature. Electrochemical capacitance-voltage results showed the dependence of conductivity type on carbon

Carbon fiber-reinforced silicon carbide received increasing attention due to its superior physical properties. In the present study, the tribological characteristics of C/SiC and zirconia (ZrO2) are investigated. Moreover, the effects of the load (10∼100 N) and sliding speed (0.2∼0.8 m/s) on the tribological performance of C/SiCs are studied under dry friction and ambient temperature using a pin-on-disc

The bioactive glass (BG) system of SiO2-P2O5CaO-SrO-Ag2O-ZnO was synthesized by the sol-gel route. Transmission electron microscopy (TEM) analysis showed that the mean particle size of as-synthesized nanoglass was ~50 nm. The effect of zinc and silver content on cell viability, antibacterial properties, and the formation of hydroxyapatite (HA) on the BGs were investigated. The synthesized compounds

Samples of Ni0.6Zn0.3Co0.1NdxFe2-xO4 (0.00≤x≤0.10) ferrites were synthesized by the sol-gel auto-combustion method and microwave sintering technology. The effects of Nd substitution on the crystal structure, magnetic, and electrical properties have been investigated. The XRD results showed that the main phase of sintered samples was a standard spinel structure. when x>0.02, the second phase appeared

The phosphorus structures in CaO–SiO2–P2O5 glasses were analyzed by Raman spectroscopy and integral Raman intensities of [PO4]-tetrahedrons were calibrated by 31P MAS-NMR spectroscopy. Spectral results showed the presence of Q0(P) and Q1(P), and calculated values of Raman scattering coefficients of Q0(P), Q1(P) units were 1 and 0.576, respectively. Good agreement between experimental and theoretical

In this study, phytic acid (PA) surface treatment was used to prepare iron-based soft magnetic composites (SMCs). The composition and microstructure of the SMCs were analyzed to assess changes in the magnetic properties. As the treatment time increased, the insulating layer on the powder surface gradually thickened, changing the internal morphology and conductive path of the annular samples after compacting

The effects of initial particle size and sintering atmosphere on the compressive strength and thermal and electrical conductivities of porous SiC ceramics, fabricated using α-SiC and polycarbosilane (PCS), were investigated in the porosity range of 40–54%. Generally, the mechanical strength and thermal conductivity of a porous SiC ceramic decrease as the porosity increases. However, in this study,