Crystals, Volume 11, Issue 1

The 5,8-quinolinedione-betulin hybrids were investigated using spectroscopic methods as well as a variety of quantum chemical calculations in order to characterize their molecular structure. We used FT-IR and NMR spectroscopy supplemented by the dens...

The synthesis of amide-based molecules, possessing pre-organized structures, has received significant attention due to their potential applications as molecular receptors and as components of nanomaterials. In this study, four extended tetraamide lig...

This Special Issue, “Numerical Study of Concrete”, consists of 22 research articles [...]

As a potential magnetic super adsorbent in wastewater treatment, Fe₃O₄ has been researched intensively up to date. However, its key problem of poor comprehensive magnetic properties is still challenging. In this work, an effective solution to this pr...

In highly anisotropic organic superconductor (TMTSF)${}_2$ClO${}_4$, superconducting (SC) phase coexists with metallic and spin-density wave phases in the form of domains. Using the Maxwell-Garnett approximation (MGA), we calculate the volume ratio and estimat...

Cadmium selenide (CdSe) thin films were grown on borosilicate glass substrates using the RF magnetron sputtering method. In this study, CdSe thin film was deposited at a deposition temperature in the range of 25 °C to 400 °C. The influence of...

ZrB₂/Mo multilayers were prepared by the magnetron sputtering technique on Si (100) and Al₂O₃ (001) substrates. The friction behavior and wear mechanism of the multilayers were tested at variable modulation ratios (t_ZrB2:t_Mo) of 1:1 to 8:1 at differe...

A synaptic device that contains weight information between two neurons is one of the essential components in a neuromorphic system, which needs highly linear and symmetric characteristics of weight update. In this study, a charge trap flash (CTF) mem...

Analysis of scanning electron microscopy images was used to study the changes in the crystal size distribution of ZnO, which occurred during its processing in an aqueous medium at 220–255 °C and an equilibrium vapor pressure in an autoclave...

Pyroelectric properties of orthorhombic Bi₂ZnB₂O₇ (BZBO) crystals were investigated by using the charge integration method. The primary and the secondary pyroelectric coefficients of BZBO crystals were found to be 6.4 and −6.5 µC/(m²&midd...

The director fields adopted by nematic liquid crystals (LCs) that are confined by the surface to form long, thin droplets are investigated using polarising optical microscopy. Samples are produced by de-wetting of the LC on a surface patterned with a...

Phononic crystals (PCs) have been widely reported to exhibit band gaps, which for non-dissipative systems are well defined from the dispersion relation as a frequency range in which no propagating (i.e., non-decaying) wave modes exist. However, the n...

In this paper, the damage of a reinforced concrete (RC) column with various levels of reinforcement corrosion under axial loads is characterized using the acoustic emission (AE) technique. Based on the AE rate process theory, a modified damage evolut...

Although freezing has been used to delay the deterioration of product quality and extend its shelf life, the formation of ice crystals inevitably destroys product quality. This comprehensive review describes detailed information on the effects of ice...

The advent of miniaturised testing techniques led to excessive studies on size effects in materials. Concomitantly, these techniques also offer the capability to thoroughly examine deformation mechanisms operative in small volumes, in particular when...

Graphene and graphene oxide (GO) usually have grain boundaries (GBs) in the process of synthesis and preparation. Here, we “attach” GBs into GO, a new molecular configuration i.e., polycrystalline graphene oxide (PGO) is proposed. This pa...

In this paper we investigate the temperature dependent behavior of a liquid crystal (LC) loaded tunable dielectric image guide (DIG) phase shifter at millimeter-wave frequencies from 80 $\mathrm{G}$$\mathrm{Hz}$ to 110 $\mathrm{G}$$\mathrm{Hz}$ for future high data rate communications. The adh...

Band structure engineering and heterojunction photocatalyst construction are efficient approaches to improve the separation of photo-induced electrons and holes, along with enhancing light response ability. By sulfur doping, sodium tantalite (NaTaO₃)...

Low-sulfur single-crystal Ni-base superalloys have demonstrated excellent cyclic oxidation resistance due to improved Al₂O₃ scale adhesion. This derives from preventing deleterious interfacial sulfur segregation that occurs at common ppm levels of S...

Spin electronic states and optical properties of a circular ruthenium (Ru) terpyridine complex with a triarylamine core (CTTC) are theoretically investigated by first-principles calculations within an all-electron numerical orbital scheme based on sp...

A single-longitudinal-mode (SLM) Neodymiun-doped Yttrium Aluminium Garnet (Nd:YAG) laser at 1123 nm was first demonstrated with a twisted-mode (TM) cavity. By eliminating the spatial hole burning phenomenon, a stable SLM 1123 nm laser output was obta...

Three uranyl borates, UO${}_2$B${}_2$O${}_4$, LiUO${}_2$BO${}_3$ and NaUO${}_2$BO${}_3$, have been prepared by solid state syntheses. The influence of the crystallographic structure on the splitting of the empty 5f and 6d states have been probed using High Energy Resolved Fluorescence...

The field of liquid crystals is constantly reinventing itself, evolving from measurements of elastic constants and devices such as the simple nematic twist cell in the 1970s to topological defects, nanoparticle inclusions, and smart sensors today [...]

Gradient structures containing nanograins in the surface layer have been introduced into Inconel 718 (IN718) nickel-based alloy using the surface mechanical grinding treatment technique. The thermal stability of the gradient IN718 alloy was investiga...

Biodegradable alloys in Mg have the advantages of traditional metallic materials and those of biodegradable polymers with superior strength, lower density and ideal rigidity for fixing bone fractures. The biocompatibility and biodegradability of the...

The high cost of Pt-based electrode materials limits the commercialization of fuel cells and their subsequent application in renewable energy production. It is thus necessary to develop economical, high-performance electrodes alongside biofuels to re...

Sulvanites have the parent formula Cu₃MCh₄. The metal M belongs to group 5 and Ch is a chalcogen. The tantalum sulvanites Cu₃TaS₄ and Cu₃TaSe₄ are predicted to have wide band gaps and p-type conductivity and show promise in optoelectronic application...

Serial Synchrotron Crystallography (SSX) is rapidly emerging as a promising technique for collecting data for time-resolved structural studies or for performing room temperature micro-crystallography measurements using micro-focused beamlines. SSX is...

The possibilities of LiNbO₃-Tm³⁺ crystals for optical cooling based on anti-Stokes luminescence in the wavelength range of 1818–2200 nm are investigated. The concentration dependences of the final temperature of the crystal have been determined...

We synthesized and studied the polymeric compound {[Cu₂(µ₄-EDTA)(Him)₂] 2H₂O}_n (1). The single-crystal structure is reported along with an in depth characterization of its thermal stability (TGA), spectral properties (FT-IR, Vis-UV and RSE), and magn...

The initial stages of debonding at hard-particle interfaces during rupture is relevant to the fracture of most structural alloys, yet details of the mechanistic process for rupture at the atomic scale are poorly understood. In this study, we employ m...

Hardness is an essential property in the design of refractory high entropy alloys (RHEAs). This study shows how a neural network (NN) model can be used to predict the hardness of a RHEA, for the first time. We predicted the hardness of several alloys...

Extensive use of fossil fuels can lead to energy depletion and serious environmental pollution. Therefore, it is necessary to solve these problems by developing clean energy. Graphene materials own the advantages of high electrocatalytic activity, hi...

Molecular dynamics (MD) simulations provide a physics-based approach to understanding protein structure and dynamics. Here, we used this intriguing tool to validate the experimental structural model of Hyp-1, a pathogenesis-related class 10 (PR-10) p...

The Special Issue on “Crystal Plasticity” is a collection of 25 original articles (including one review paper) dedicated to theoretical and experimental research works providing new insights and practical findings in the field of crystal...

The bridge between classical continuum plasticity and crystal plasticity is becoming narrower with continuously improved computational power and with engineers’ desire to obtain more information and better accuracy from their simulations, incor...

Organic-inorganic hybrid perovskite materials have attracted tremendous attention as a key material in various optoelectronic devices. Distinctive optoelectronic properties, such as a tunable energy band position, long carrier diffusion lengths, and...

The microstructure evolution of AA2060 Al alloy containing Li during two-stage homogenization treatment was investigated by optical microscopy (OM), scanning electron microscopy (SEM) equipped with energy dispersive X-ray spectroscopy (EDS), differen...

The Frank-Read model, as a way of generating dislocations in metals and alloys, is widely accepted. In the early 1960s, Li proposed an alternate mechanism. Namely, grain boundary sources for dislocations, with the aim of providing a different model f...

Laser heating of chalcogenide glasses has successfully produced rotating lattice single crystals through a solid-solid transformation. To better understand the nature of complex, orientation-dependent lattice rotation, we designed heat profiles of th...

Measurement of recovery and recrystallization kinetics of tungsten at high temperature is a key issue for many applications, such as plasma facing units in the framework of thermonuclear fusion. These kinetics are mostly derived from Vickers hardness...

The Laser Floating Zone (LFZ) technique, also known as Laser-Heated Pedestal Growth (LHPG), has been developed throughout the last several decades as a simple, fast, and crucible-free method for growing high-crystalline-quality materials, particularl...

The difficulties in growing large-size bulk $\beta$-Ga₂O₃ single crystals with the Czochralski method were numerically analyzed. The flow and temperature fields for crystals that were four and six inches in diameter were studied. When the crystal diam...

Herein, we confirm the performance difference according to the structure of self-assembling monolayer (SAM) and investigate the characteristics of the indium tin oxide (ITO) surface when ITO substrates are deposited by (3,3,3-trifluoropropyl)trimetho...

For bulk doping, boron and phosphorus are usually used as p-type and n-type dopants, respectively. The distribution of these dopant concentrations in a silicon crystal along the vertical direction is governed by the segregation phenomena. As the segr...

In this study, we investigated the creep deformation mechanism of a single-crystal high-entropy superalloy (HESA) with the spherical γ′ precipitates at 760 °C. Before the creep tests, long-term aging tests at 760 °C without load w...

Adsorption configurations, electronic structures and net spins of graphene adsorbing 4d transition atoms are calculated by first-principles calculations to explore the magnetic modification of decorating metal atoms on graphene. Y, Zr and Nb atoms ca...

First-principle density functional theory simulations have been performed to predict the electronic structures and optoelectronic properties of ultrathin indium tin oxide (ITO) films, having different thicknesses and temperatures. Our results and ana...

This study reports on the synthesis, characterization of polystyrene(PS)/CuO-Fe₂O₃ nanocomposites, and their application as hydrophobic coatings. CuO and Fe₂O₃ materials were synthesized from natural materials by the milling method. Meanwhile, the PS...

We report here a high-power, highly efficient, wavelength-tunable nanosecond pulsed 1.7 μm fiber laser based on hydrogen-filled hollow-core photonic crystal fibers (HC-PCFs) by rotational stimulated Raman scattering. When a 9-meter-long HC-PCF fil...