Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Anisotropy and directional elastic behavior data obtained from the second-order elastic constants of portlandite Ca(OH)₂ and brucite Mg(OH)₂.

ABSTRACT: This article reports data on the anisotropy and directional elastic behavior, namely Young?s modulus E, linear compressibility ?, shear modulus ?, Poisson?s ratio ? and wave velocities V_s1, V_s2 and V_p, of brucite (magnesium hydroxide, Mg(OH)₂) and portlandite (calcium hydroxide, Ca(OH)₂), calculated from their second order elastic constants at different hydrostatic compressions (Ulian and Valdrè, in press). The dataset has been obtained by ab initio quantum mechanical means, by employing density functional theory methods, in particular the B3LYP hybrid functional, all-electron Gaussian-type orbitals basis sets and a correction to take into account the effects of dispersive forces.

SUBMITTER: Ulian G

PROVIDER: S-EPMC6234275 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Anisotropy and directional elastic behavior data obtained from the second-order elastic constants of portlandite Ca(OH)2 and brucite Mg(OH)2.

Ulian Gianfranco G Valdrè Giovanni G

Data in brief 20181030

This article reports data on the anisotropy and directional elastic behavior, namely Young׳s modulus E, linear compressibility β, shear modulus μ, Poisson׳s ratio ν and wave velocities Vs1, Vs2 and Vp, of brucite (magnesium hydroxide, Mg(OH)2) and portlandite (calcium hydroxide, Ca(OH)2), calculated from their second order elastic constants at different hydrostatic compressions (Ulian and Valdrè, in press). The da ...[more]

PMID: 30456261

Similar Datasets

Crystal-chemical and structural data related to the equation of state and second-order elastic constants of portlandite Ca(OH)2 and brucite Mg(OH)2.

Project description:This data article reports crystal-chemical and structural data (unit cell parameters and internal coordinates) of two hydroxyl minerals, namely brucite [magnesium hydroxide, Mg(OH)2] and portlandite [calcium hydroxide, Ca(OH)2], which were calculated and employed to derive the mechanical behavior of these solid phases under hydrostatic compression (Ulian and Valdrè, 2018). The dataset has been obtained by ab initio quantum mechanical means, by employing Density Functional Theory methods, in particular the B3LYP hybrid functional, all-electron Gaussian-type orbitals basis sets and a correction to take into account the effects of dispersive forces. Equilibrium and expanded/compressed models of both minerals were realized and geometrically optimized within two space group settings, P3¯m1 and P3¯ .

| S-EPMC6280603 | biostudies-literature

Electric field dependence of nonlinearity parameters and third order elastic constants of 0.70Pb(Mg(13)Nb(23))O(3)-0.30PbTiO(3) single crystal.

Project description:Through second harmonic measurements, the ultrasonic nonlinearity parameters of [001](c) and [111](c) polarized 0.70Pb(Mg(13)Nb(23))O(3)-0.30PbTiO(3)(PMN-0.3PT) single crystals have been measured as a function of bias electric field. It was found that the nonlinearity parameter increases almost linearly with field at low field but shows a drastic increase near the coercive field. The [111](c) polarized single domain crystal has much smaller nonlinearity parameter than that of the [001](c) polarized multidomain crystal. Based on effective symmetries of these crystals, we were able to derive the field dependence of several third order elastic constants, which are important parameters for high field applications.

| S-EPMC2830868 | biostudies-other

Mg(OH)2 nanosheets on Ti with immunomodulatory function for orthopedic applications.

Project description:Macrophages play a vital role for guiding the fate of osteogenesis- related cells. It is well known that nano-topography and bioactive ions can directly enhance osteogenic behavior. However, the effects of nano-structure combined with bioactive ions release on macrophage polarization and the following osteogenesis and angiogenesis are rarely reported. Herein, Mg(OH)2 films with nano-sheet structures were constructed on the surface of Ti using hydrothermal treatment. The film presented nano-sheet topography and sustained release of Mg ions. The results of in vitro culture of bone marrow-derived macrophages (BMDMs), including PCR, western blot and flow cytometry suggested that the nano-Mg(OH)2 films were more favorable for macrophages polarizing to tissue healing M2 phenotype. Moreover, air-pouch model confirmed that the nano-Mg(OH)2 film coated Ti would induce milder inflammation and thinner fibrous layer in vivo, compared with untreated Ti. Furthermore, macrophages-conditioned culture mediums were collected from nano-Mg(OH)2 coated Ti group was superior for the osteogenic behaviors of mice bone marrow stem cells and the angiogenic behaviors of human umbilical vein endothelial cells. With harmonious early inflammatory response and subsequently improved osteogenesis and angiogenesis, the nano-Mg(OH)2 coated Ti is promising for orthopedic applications.

| S-EPMC9113411 | biostudies-literature

A novel anisotropy template for an improved interpretation of elastic anisotropy data.

Project description:Tight unconventional rocks are characterized by the presence of laminations, preferentially oriented cracks, and an interconnected network of compliant minerals. Such anisotropic features can mechanically deform due to pressure depletion during production, leading to a human-induced change of elastic and fluid transport properties. Rock physics models allow us to better predict and assess stress- and direction-dependent elastic moduli of the rock, useful for horizontal stress estimates. However, elastic anisotropy can be challenging to measure and interpret. We have developed an anisotropy template that can be used to assess stress-dependent changes in elastic moduli and investigate rock textures. We present here the template construction using an effective medium model consisting of stiff and compliant layers and crack inclusions and evaluate the origin of stress-dependent stiffness changes in acoustic data from Berea, Bakken, Three Forks, and Mancos formations.

| S-EPMC10533563 | biostudies-literature

Enhanced corrosion resistance and cytocompatibility of biodegradable Mg alloys by introduction of Mg(OH)2 particles into poly (L-lactic acid) coating.

Project description:A strategy of suppressing the fast degradation behaviour of Mg-based biomaterials by the introduction of one of Mg degradation products Mg(OH)2 was proposed according to the following degradation mechanism, Mg + 2H2O ⇋ Mg(OH)2 + H2↑. Specifically, Mg(OH)2 submicron particles were mixed into poly (L-lactic acid) (PLLA) to synthesize a composite coating onto hydrofluoric acid-pretreated Mg-Nd-Zn-Zr alloy. The in vitro degradation investigations showed that the addition of Mg(OH)2 particles not only slowed down the corrosion of Mg matrix, but also retarded the formation of gas pockets underneath the polymer coating. Correspondingly, cytocompatibility results exhibited significant improvement of proliferation of endothelial cells, and further insights was gained into the mechanisms how the introduction of Mg(OH)2 particles into PLLA coating affected the magnesium alloy degradation and cytocompatibility. The present study provided a promising surface modification strategy to tailor the degradation behaviour of Mg-based biomaterials.

| S-EPMC5288779 | biostudies-literature

Multifunctional PDO Thread Coated with Mg(OH)2/ZnO Nanoparticles and Asiaticoside for Improved Facial Lifting.

Project description:As interest in skin aesthetics increases, treatments to suppress aging are increasing. Among them, a facelift is the most effective procedure for improving wrinkles. However, side effects including inflammatory reactions occur due to the limitations of the PDO thread itself used during the procedure. In this paper, to improve the function of PDO thread, inorganic particles such as magnesium hydroxide (MH) and zinc oxide (ZO) and a biologically active agent, asiaticoside, were coated on the surface of PDO thread using ultrasonic coating technology. The coated thread exhibited excellent biocompatibility, promoted collagen synthesis, reduced inflammation, and stimulated angiogenesis in vitro and in vivo. The multifunctional PDO thread has shown promising potential for skin regeneration without inducing fibrosis. Such a practical coating system and the developed multifunctional PDO thread suggest new possibilities for developing safer and more effective materials in cosmetic and regenerative medicine to prevent aging and improve skin aesthetics.

| S-EPMC10535954 | biostudies-literature

Solvent-Free One-Pot Synthesis of Epoxy Nanocomposites Containing Mg(OH)2 Nanocrystal-Nanoparticle Formation Mechanism.

Project description:Epoxy nanocomposites containing Mg(OH)2 nanocrystals (MgNCs, 5.3 wt %) were produced via an eco-friendly "solvent-free one-pot" process. X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), and thermogravimetric analysis (TGA) confirm the presence of well-dispersed MgNCs. HRTEM reveals the presence also of multisheet-silica-based nanoparticles and a tendency of MgNCs to intergrow, leading to complex nanometric structures with an intersheet size of ∼0.43 nm, which is in agreement with the lattice spacing of the Mg(OH)2 (001) planes. The synthesis of MgNCs was designed on the basis of a mechanism initially proposed for the preparation of multisheet-silica-based/epoxy nanocomposites. The successful "in situ" generation of MgNCs in the epoxy via a "solvent-free one-pot" process confirms the validity of the earlier disclosed mechanism and thus opens up possibilities of new NCs with different fillers and polymer matrix. The condition would be the availability of a nanoparticle precursor soluble in the hydrophobic resin, giving the desired phase through hydrolysis and polycondensation.

| S-EPMC9097534 | biostudies-literature

Simulated infrared and Raman spectroscopy, complex dielectric function and refractive index dataset of monoclinic C2/m stoichiometric clinochlore Mg6Si4O10(OH)8 as obtained from Density Functional Theory.

Project description:This article reports a simulated dataset of the vibrational (infrared and Raman) and optical properties (complex dielectric function and refractive index) of clinochlore, an important mineral belonging to the phyllosilicate family [1]. The data here reported were calculated from ab initio Density Functional Theory (DFT) simulations at B3LYP level, including a correction for the dispersive forces (B3LYP-D* approach) and all-electron Gaussian-type orbitals basis sets. This dataset was calculated between 0 cm-1 and 4000 cm-1 and comprises infrared, reflectance and Raman spectra, frequency-dependent complex dielectric function and complex refractive index of clinochlore. The data was validated against available experimental spectroscopic results reported in literature and can be of help in several application fields, for instance fundamental georesource exploration and exploitation, in applied mineralogy, geology, material science, and as a reference to assess the quality of other theoretical approaches.

| S-EPMC7475071 | biostudies-literature

Extremely small twist elastic constants in lyotropic nematic liquid crystals.

Project description:Recent measurements of the elastic constants in lyotropic chromonic liquid crystals (LCLCs) have revealed an anomalously small twist elastic constant compared to the splay and bend constants. Interestingly, measurements of the elastic constants in the micellar lyotropic liquid crystals (LLCs) that are formed by surfactants, by far the most ubiquitous and studied class of LLCs, are extremely rare and report only the ratios of elastic constants and do not include the twist elastic constant. By means of light scattering, this study presents absolute values of the elastic constants and their corresponding viscosities for the nematic phase of a standard LLC composed of disk-shaped micelles. Very different elastic moduli are found. While the splay elastic constant is in the typical range of 1.5 pN as is true in general for thermotropic nematics, the twist elastic constant is found to be one order of magnitude smaller (0.30 pN) and almost two orders of magnitude smaller than the bend elastic constant (21 pN). These results demonstrate that a small twist elastic constant is not restricted to the special case of LCLCs, but is true for LLCs in general. The reason for this extremely small twist elastic constant very likely originates with the flexibility of the assemblies that are the building blocks of both micellar and chromonic lyotropic liquid crystals.

| S-EPMC7959531 | biostudies-literature

The Role of Mg(OH)2 in the So-Called "Base-Free" Oxidation of Glycerol with AuPd Catalysts.

Project description:Mg(OH)2 - and Mg(OH)2 -containing materials can provide excellent performance as supports for AuPd nanoparticles for the oxidation of glycerol in the absence of base, which is considered to be a result of additional basic sites on the surface of the support. However, its influence on the reaction solution is not generally discussed. In this paper, we examine the relationship between the basic Mg(OH)2 support and AuPd nanoparticles in detail using four types of catalyst. For these reactions, the physical interaction between Mg(OH)2 and AuPd was adjusted. It was found that the activity of the AuPd nanoparticles increased with the amount of Mg(OH)2 added under base-free conditions, regardless of its interaction with the noble metals. In order to investigate how Mg(OH)2 affected the glycerol oxidation, detailed information about the performance of AuPd/Mg(OH)2 , physically mixed (AuPd/C+Mg(OH)2 ) and (AuPd/C+NaHCO3 ) was obtained and compared. Furthermore, NaOH and Mg(OH)2 were added during the reaction using AuPd/C. All these results indicate that the distinctive and outstanding performance of Mg(OH)2 supported catalysts in base-free condition is in fact directly related to its ability to affect the pH during the reaction and as such, assists with the initial activation of the primary alcohol, which is considered to be the rate determining step in the reaction.

| S-EPMC5969100 | biostudies-literature