4,082 Results Found

The morphology and microstructural evaluation of Y phases in AISI 321 (a Ti-stabilized stainless steel) were characterized after hot deformation. The electronic structure and phase stability of titanium carbosulfide were further discussed by first-pr...

Thermoelectric power generation is a promising candidate for automobile energy harvesting technologies because it is eco-friendly and durable owing to direct power conversion from automobile waste heat. Because Bi−Te systems are well-known ther...

In magnesium–rare earth–transition metal (Mg-RE-TM) alloys, the γ” phase (with a hexagonal structure with the space group P$\overline{6}$2m) is a critical strengthening phase that can significantly improve their mechanical properties...

MgZnO bulk has attracted much attention as candidates for application in optoelectronic devices in the blue and ultraviolet region. However, there has been no reported study regarding two-dimensional MgZnO monolayer in spite of its unique properties...

Here, we show that wet impregnation of ZrO₂ nanoparticles with 10% and 20% Eu oxide followed by thermal anneal in air above 500 °C produces full stabilization of the tetragonal phase of ZrO₂ without evidencing any phase separation. The bare ZrO₂...

Al–Mg–Zn alloys reinforced by T–Mg₃₂(Al,Zn)₄₉ phase had higher structure stability and strength than Al–Zn–Mg–(Cu) alloys reinforced by MgZn₂ phase, but the reasons for these two kind of alloys was not well-known....

This work investigated the structural response and phase transformation dynamics of silica-bearing cherts subjected to high-temperature processing (up to 1400 °C) and prolonged mechanochemical activation. Through a combination of X-ray diffractio...

Paraffin wax (PW) has significant potential for spacecraft thermal management, but low thermal conductivity and leakage issues make it no longer sufficient for the requirements of evolving spacecraft thermal control systems. Although free-state expan...

The study of the gas-phase behavior of proteins has recently gained momentum due to numerous prospective applications in, e.g., the construction of molecular sensors or nano-machines. The study of proteins outside their standard water environment, ne...

The fundamental challenge for creating the crystal structure model used in a multi-principle element design is the ideal combination of atom components, structural stability, and deformation behavior. However, most of the multi-principle element allo...

The structural state and crystal structure of Lu_(1−x)Sc_xFeO₃ (0 ≤ x ≤ 1) compounds prepared by a chemical route based on a modified sol–gel method were investigated using X-ray diffraction, Raman spectroscopy, as well as scanning el...

In order to explore novel light-weight Co-Nb-based superalloys with excellent performance, we studied the effects of alloying elements including Sc, Ti, V, Cr, Mn, Fe, Ni, Y, Zr, Mo, Tc, Ru, Rh, Pd, Hf, Ta, W, Re, Os, Ir and Pt on the structural stab...

Crystal structures of simple metals and binary alloy phases based on the face-centered cubic (fcc) structure are analyzed within the model of Fermi sphere–Brillouin zone interactions to understand the stability of the original cubic structure and der...

This work investigates the ground state’s stability of the bulk and three Heuslerene Co₂CrAl compounds, named as α, β, and γ phases, by density functional theory (DFT) with the generalized gradient approximation (GGA), GGA+U, a...

Phase change memory (PCM) technology demonstrates significant potential as a next-generation non-volatile storage solution for information applications. Ge₂Sb₂Te₅ (GST) alloy, the most well-established material employed in commercial PCM devices, exh...

In this study, the effect factors on the formation of lamellar structure for Ti-45Al-5.4V-3.6Nb-Y alloy and Ti-44Al-4Nb-4V-0.3Mo-Y alloy is discussed in detail. During heat treatment in different procedures, temperature was the common factor influenc...

This article deals with the effect of Kr¹⁵⁺ ion irradiation on the structure and properties of partially stabilized zirconium dioxide (ZrO₂ + 3 mol. % Y₂O₃) ceramics. Ion irradiation is used to simulate radiation damage typical of operating condition...

The template effects on stability of twist structure liquid crystals (LCs) were investigated. By refilling a cholesteric LC (CLC) of different pitch into a blue phase LC (BPLC) template or a sphere phase LC (SPLC) template, a multi-phase and multi-pi...

Formation of the complex structure with 16 atoms in the orthorhombic cell, space group Cmca (Pearson symbol oC16), was experimentally found under high pressure in the alkali elements (K, Rb, Cs) and polyvalent elements of groups IV (Si, Ge) and V (Bi...

AlCoCrFeNi high-entropy alloys (HEAs) are promising materials due to their exceptional mechanical properties and thermal stability. This study employs first-principles calculations based on density functional theory (DFT) to investigate the phase sta...

Titanium dioxide (TiO₂) materials have been intensively studied in the past years because of many varied applications. This mini review article focuses on TiO₂ micro and nano architectures with the prevalent crystal structures (anatase, rutile, brook...

Elastic properties of materials and their changes with temperature are important for their applications in engineering. In the present study the influence of phase composition and temperature of AISI 4130 alloy on Young’s modulus (E_d), shear modulus...

A comprehensive, bottoms-up characterization of two of the most widely used biomedical Ti-containing alloys, NiTi and β-Ti, was carried out applying a novel combination of neutron diffraction, neutron prompt-gamma activation, surface morphology,...

High-Entropy Alloys (HEAs) represent a transformative class of materials characterized by multiple principal elements and high configurational entropy. This review article provides an in-depth examination of their structural particularities, predicti...

The present study was aimed at revealing the influence of the mechanical stress induced by water molecule adsorption on the composition of crystalline phases in the ZrO₂ + 3 mol% Y₂O₃-nanoparticles. Three basic methods were used to determine the phas...

Recently discovered phase transition and elastic anomaly of compression-induced softening and heating-induced hardening (CISHIH) in group VB transition metals at high-pressure and high-temperature (HPHT) conditions are unique and interesting among ty...

Tunnel-structured Na_0.44MnO₂ (NMO) has been extensively studied as a potential cathode for sodium-ion batteries (SIBs) due to its favorable cycling endurance, cost-effectiveness, environmental benignity, and notable air-moisture stability. However, l...

It is confirmed that Fluorite-structured Entropy-Stabilized Oxides (F-ESO) can be obtained with multicomponent (5) equimolar systems based on cerium, zirconium, and other rare earth elements, selected according to the predictor already proposed by th...

The partition behavior of single and double-point mutants of bacteriophage T4 lysozyme (T4 lysozyme) and staphylococcal nuclease A was examined in different aqueous two-phase systems (ATPSs) and studied by Solvent Interaction Analysis (SIA). Addition...

The thermal stability and mesomorphic behavior of a new biphenyl azomethine liquid crystal homologues series, (E)-4-(([1,1′-biphenyl]-4-ylmethylene)amino)phenyl 4-(alkoxy)benzoate, In, were investigated. The chemical structures of the synthesized com...

Aerodynamic damping predictions are critical when analyzing aeroelastic stability. A novel method has been developed to predict aerodynamic damping by employing two single time-domain simulations, specifically, one with the blade impulsed naturally i...

The amorphous state is of particular interest in the pharmaceutical industry due to the higher solubility that amorphous active pharmaceutical ingredients show compared to their respective crystalline forms. Due to their thermodynamic instability, dr...

This work was focused on studying the possibility of increasing the strength of non-heat-treatable sheet alloy Al2Cu1.5Mn (wt.%) by the joint addition of 1% Mg and 1% Zn. The effect of these elements on the structure and mechanical properties of the...

Objectives: Drug–drug cocrystallization represents a promising approach for the development of novel combination drugs with improved physicochemical and biopharmaceutical properties. The aim of the present research is to prepare novel drug-drug...

Impacts of Mn alloying on lattice stabilities, magnetic properties, electronic structures of the bcc and fcc phases and the fcc→bcc phase transition in ${\mathrm{Fe}}_{16-x}{\mathrm{Mn}}_x$ (x = 0, 1 and 2) alloys are studied by first-principles calculations. Results...

To better understand and control the crystallization of different polymorphs, a comprehensive crystal structure analysis was conducted by using fluralaner as a model compound, and the thermodynamic stability, phase transformation, and selective nucle...

The novel ternary carbides and nitrides, known as MAX phase materials with remarkable combined metallic and ceramic properties, offer various engineering and technological applications. Using ab initio calculations based on generalized gradient appro...

Macromolecular associates, such as membraneless organelles or lipid-protein assemblies, provide a hydrophobic environment, i.e., a liquid protein phase (LP), where folding preferences can be drastically altered. LP as well as the associated phase cha...

Zirconia (ZrO₂) aerogels show excellent insulating performance and have been widely applied as a thermal protector in furnaces, nuclear reactors, and spacecraft. The nondestructive determination of their interior microstructure is significant for eva...

Seven arc-melted and then annealed CoCrFeNiNb_x (x = 0.3–0.6) alloys are experimentally and thermodynamically investigated in the present work. All the as-cast and 1000 °C annealed CoCrFeNiNb_x alloys are composed of face-centered cubic (FCC)...

In austenitic steels, the tetragonal Z-phase (NbCrN) has frequently been credited with beneficial strengthening effects during dislocation creep. In the modified Z-phase, niobium is partially substituted by vanadium. The basic objective of this contr...

The Fermi surface structure of a layered organic superconductor $\beta$${}^{″}$-(BEDT-TTF)${}_2$SF${}_5$CH${}_2$CF${}_2$SO${}_3$ was determined by angular-dependent magnetoresistance oscillations measurements and band-structure calculations. This salt was found to have two sma...

In the search for new magnetic functional materials, non-stoichiometric compounds remain a relatively unexplored territory. While experimentalists create new compositions looking for improved functional properties, their work is not guided by systema...

Inclusion complexes between cyclodextrins (CDs) and active pharmaceutical ingredients (APIs) have potential for pharmaceutical formulation. Since crystallization of a given complex may result in the isolation of multiple crystal forms, it is essentia...

Alloys are beneficial in numerous applications since they combine the desirable properties of different metals. In this regard, Pt/Pd alloys have been investigated as a replacement for Pt, which is the standard catalyst used in various catalytic proc...

The tungsten-doped (0.5 and 1.0 mol%) LiNi_0.88Co_0.09Al_0.03O₂ (NCA) cathode materials are manufactured to systematically examine the stabilizing effect of W-doping. The 1.0 mol% W-doped LiNi_0.88Co_0.09Al_0.03O₂ (W1.0-NCA) cathodes deliver 173.5 mAh g^&mi...

Transition metal-ruthenium alloys are promising candidates for ultra-high-temperature structural applications. However, the mechanical and electronic characteristics of these alloys are not well understood in the literature. This study uses first-pri...

‘Rhythmite’, Ca₂₉(SiO₄)₈Cl₂₆, an anthropogenic calcium chloride silicate from the Chelyabinsk coal basin (South Ural, Russia), was investigated using chemical microprobe analysis, in situ single-crystal X-ray diffraction analysis (27&ndas...

Heusler alloys, which were unintentionally discovered at the start of the 20th century, have become intriguing materials for many extraordinary functional applications in the 21st century, including smart devices, spintronics, magnetic refrigeration...

A disordered stoichiometric Al₃Fe phase was obtained when synthesizing Al₈Fe₃ by the spark plasma sintering (SPS) approach and its crystal structure was determined by the single-crystal X-ray diffraction (SXRD) techniques. The refined structure is an...