An Integrated Software for Computing Mechanical Properties of Crystalline Material by Means of XRD

An integrated software for calculating the major mechanical properties of materials was newly programmed. The material mechanical properties are determined from a peak position and the broadness of X-ray diffraction (XRD) line using profile function method, including Gaussian, Parabola, Half-width, and Centroid. The X-ray diffraction line in software is also corrected by the generalized X-ray absorption function. The results show that the precision coefficient (R2) of the dhkl-sin2 ψ linear regression depends on tested materials and the method of the 2θ determination. The Parabola and Gaussian methods show greater fitting accuracy in comparison to the other two methods in determining stress. The mechanical properties calculated using this software agreed well with the values determined from the conventional methods. In addition, this XRD software also allows computing the 95% confidential limits of the results from a single measurement without conducting repetitive measurements. Therefore, the new software allows widening the experimental scopes of an X-ray diffraction device in both laboratories and the industrial sector.

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Study on Aging of Zinc Oxide/Poly(butylene succinate) Composite

Applied Mechanics and Materials ◽

10.4028/www.scientific.net/amm.457-458.108 ◽

2013 ◽

Vol 457-458 ◽

pp. 108-111

Author(s):

Chun Na Cui ◽

Ji Tao Huang

Keyword(s):

Mechanical Properties ◽

Zinc Oxide ◽

Chemical Structure ◽

X Ray Diffraction ◽

Characteristic Functional ◽

Butylene Succinate ◽

X Ray ◽

Aging Test ◽

Aging Properties ◽

Properties Of Materials

Zinc oxide/poly (butylene succinate) composite (ZnO/PBS) were performed by aging test of 1008h. The chemical structure and crystallinity of the materials were characterized by fourier transform infrared spectroscopy and X-ray diffraction, and the aging properties of composite were studied by mechanical properties. The results showed that: the scale of characteristic functional groups had some change. And any of the reciprocal actions or effects, that can occur in composite molecule. The crystallinity of composite had reduced from 26.13% to 15.56% after aging. Mechanical properties of materials reduced gradually in aging, and reduced extent of ZnO/PBS composite was less than that of PBS.

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Mechanical properties of FeAlSi powders prepared by mechanical alloying from different initial feedstock materials

Matériaux & Techniques ◽

10.1051/mattech/2018063 ◽

2019 ◽

Vol 107 (2) ◽

pp. 207 ◽

Cited By ~ 2

Author(s):

Jaroslav Čech ◽

Petr Haušild ◽

Miroslav Karlík ◽

Veronika Kadlecová ◽

Jiří Čapek ◽

...

Keyword(s):

Mechanical Properties ◽

Mechanical Alloying ◽

Young’S Modulus ◽

Milling Time ◽

Young's Modulus ◽

Element Model ◽

X Ray Diffraction ◽

X Ray ◽

Powder Particles ◽

Complete Homogenization

FeAl20Si20 (wt.%) powders prepared by mechanical alloying from different initial feedstock materials (Fe, Al, Si, FeAl27) were investigated in this study. Scanning electron microscopy, X-ray diffraction and nanoindentation techniques were used to analyze microstructure, phase composition and mechanical properties (hardness and Young’s modulus). Finite element model was developed to account for the decrease in measured values of mechanical properties of powder particles with increasing penetration depth caused by surrounding soft resin used for embedding powder particles. Progressive homogenization of the powders’ microstructure and an increase of hardness and Young’s modulus with milling time were observed and the time for complete homogenization was estimated.

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Enhancement of Chloroprene/Natural/Butadiene Rubber Nanocomposite Properties Using Organoclays and Their Combination with Carbon Black as Fillers

Polymers ◽

10.3390/polym13071085 ◽

2021 ◽

Vol 13 (7) ◽

pp. 1085

Author(s):

Patricia Castaño-Rivera ◽

Isabel Calle-Holguín ◽

Johanna Castaño ◽

Gustavo Cabrera-Barjas ◽

Karen Galvez-Garrido ◽

...

Keyword(s):

Mechanical Properties ◽

Carbon Black ◽

High Performance ◽

Rubber Matrix ◽

Butadiene Rubber ◽

X Ray Diffraction ◽

X Ray ◽

Rubber Blends ◽

Ft Ir ◽

Chloroprene Rubber

Organoclay nanoparticles (Cloisite® C10A, Cloisite® C15) and their combination with carbon black (N330) were studied as fillers in chloroprene/natural/butadiene rubber blends to prepare nanocomposites. The effect of filler type and load on the physical mechanical properties of nanocomposites was determined and correlated with its structure, compatibility and cure properties using Fourier Transformed Infrared (FT-IR), X-ray Diffraction (XRD), Thermogravimetric Analysis (TGA) and rheometric analysis. Physical mechanical properties were improved by organoclays at 5–7 phr. Nanocomposites with organoclays exhibited a remarkable increase up to 46% in abrasion resistance. The improvement in properties was attributed to good organoclay dispersion in the rubber matrix and to the compatibility between them and the chloroprene rubber. Carbon black at a 40 phr load was not the optimal concentration to interact with organoclays. The present study confirmed that organoclays can be a reinforcing filler for high performance applications in rubber nanocomposites.

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The Potential for Natural Stones from Northeastern Brazil to Be Used in Civil Construction

Minerals ◽

10.3390/min11050440 ◽

2021 ◽

Vol 11 (5) ◽

pp. 440

Author(s):

Fabiana Pereira da Costa ◽

Jucielle Veras Fernandes ◽

Luiz Ronaldo Lisboa de Melo ◽

Alisson Mendes Rodrigues ◽

Romualdo Rodrigues Menezes ◽

...

Keyword(s):

Mechanical Properties ◽

Thermal Analysis ◽

Differential Thermal Analysis ◽

Chemical Resistance ◽

Mechanical Analysis ◽

Northeastern Brazil ◽

X Ray Diffraction ◽

X Ray ◽

Chemical Agents ◽

Natural Stones

Natural stones (limestones, granites, and marble) from mines located in northeastern Brazil were investigated to discover their potential for use in civil construction. The natural stones were characterized by chemical analysis, X-ray diffraction, differential thermal analysis, and optical microscopy. The physical-mechanical properties (apparent density, porosity, water absorption, compressive and flexural strength, impact, and abrasion) and chemical resistance properties were also evaluated. The results of the physical-mechanical analysis indicated that the natural stones investigated have the potential to be used in different environments (interior, exterior), taking into account factors such as people’s circulation and exposure to chemical agents.

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Functional Bionanocomposite Fibers of Chitosan Filled with Cellulose Nanofibers Obtained by Gel Spinning

Polymers ◽

10.3390/polym13101563 ◽

2021 ◽

Vol 13 (10) ◽

pp. 1563

Author(s):

Sofia Marquez-Bravo ◽

Ingo Doench ◽

Pamela Molina ◽

Flor Estefany Bentley ◽

Arnaud Kamdem Tamo ◽

...

Keyword(s):

Mechanical Properties ◽

Mechanical Performance ◽

Cellulose Nanofibers ◽

Microstructural Characterization ◽

Fiber Formation ◽

Fiber Direction ◽

Composite Fibers ◽

X Ray Diffraction ◽

Gel Spinning ◽

X Ray

Extremely high mechanical performance spun bionanocomposite fibers of chitosan (CHI), and cellulose nanofibers (CNFs) were successfully achieved by gel spinning of CHI aqueous viscous formulations filled with CNFs. The microstructural characterization of the fibers by X-ray diffraction revealed the crystallization of the CHI polymer chains into anhydrous chitosan allomorph. The spinning process combining acidic–basic–neutralization–stretching–drying steps allowed obtaining CHI/CNF composite fibers of high crystallinity, with enhanced effect at incorporating the CNFs. Chitosan crystallization seems to be promoted by the presence of cellulose nanofibers, serving as nucleation sites for the growing of CHI crystals. Moreover, the preferential orientation of both CNFs and CHI crystals along the spun fiber direction was revealed in the two-dimensional X-ray diffraction patterns. By increasing the CNF amount up to the optimum concentration of 0.4 wt % in the viscous CHI/CNF collodion, Young’s modulus of the spun fibers significantly increased up to 8 GPa. Similarly, the stress at break and the yield stress drastically increased from 115 to 163 MPa, and from 67 to 119 MPa, respectively, by adding only 0.4 wt % of CNFs into a collodion solution containing 4 wt % of chitosan. The toughness of the CHI-based fibers thereby increased from 5 to 9 MJ.m−3. For higher CNFs contents like 0.5 wt %, the high mechanical performance of the CHI/CNF composite fibers was still observed, but with a slight worsening of the mechanical parameters, which may be related to a minor disruption of the CHI matrix hydrogel network constituting the collodion and gel fiber, as precursor state for the dry fiber formation. Finally, the rheological behavior observed for the different CHI/CNF viscous collodions and the obtained structural, thermal and mechanical properties results revealed an optimum matrix/filler compatibility and interface when adding 0.4 wt % of nanofibrillated cellulose (CNF) into 4 wt % CHI formulations, yielding functional bionanocomposite fibers of outstanding mechanical properties.

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The crystal structures and mechanical properties of the uranyl carbonate minerals roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite

Inorganic Chemistry Frontiers ◽

10.1039/d0qi00933d ◽

2020 ◽

Vol 7 (21) ◽

pp. 4197-4221 ◽

Cited By ~ 1

Author(s):

Francisco Colmenero ◽

Jakub Plášil ◽

Jiří Sejkora

Keyword(s):

Mechanical Properties ◽

Hydrogen Bonding ◽

Diffraction Pattern ◽

Crystal Structures ◽

First Principles ◽

X Ray Diffraction ◽

Carbonate Minerals ◽

X Ray ◽

Uranyl Carbonate

The structure, hydrogen bonding, X-ray diffraction pattern and mechanical properties of six important uranyl carbonate minerals, roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite, are determined using first principles methods.

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Effects of Sintering Temperature on Densification, Microstructure and Mechanical Properties of Al-Based Alloy by High-Velocity Compaction

Metals ◽

10.3390/met11020218 ◽

2021 ◽

Vol 11 (2) ◽

pp. 218

Author(s):

Xianjie Yuan ◽

Xuanhui Qu ◽

Haiqing Yin ◽

Zaiqiang Feng ◽

Mingqi Tang ◽

...

Keyword(s):

Mechanical Properties ◽

High Velocity ◽

Sintered Density ◽

Sintering Temperature ◽

X Ray Diffraction ◽

Scanning Calorimetry ◽

X Ray ◽

Transmission Electron ◽

High Velocity Compaction ◽

Sintered Temperature

This present work investigates the effects of sintering temperature on densification, mechanical properties and microstructure of Al-based alloy pressed by high-velocity compaction. The green samples were heated under the flow of high pure (99.99 wt%) N2. The heating rate was 4 °C/min before 315 °C. For reducing the residual stress, the samples were isothermally held for one h. Then, the specimens were respectively heated at the rate of 10 °C/min to the temperature between 540 °C and 700 °C, held for one h, and then furnace-cooled to the room temperature. Results indicate that when the sintered temperature was 640 °C, both the sintered density and mechanical properties was optimum. Differential Scanning Calorimetry, X-ray diffraction of sintered samples, Scanning Electron Microscopy, Energy Dispersive Spectroscopy, and Transmission Electron Microscope were used to analyse the microstructure and phases.

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Local atomic structure in tetragonal pure ZrO2nanopowders

Journal of Applied Crystallography ◽

10.1107/s0021889809054983 ◽

2010 ◽

Vol 43 (2) ◽

pp. 227-236 ◽

Cited By ~ 16

Author(s):

Leandro M. Acuña ◽

Diego G. Lamas ◽

Rodolfo O. Fuentes ◽

Ismael O. Fábregas ◽

Márcia C. A. Fantini ◽

...

Keyword(s):

Tetragonal Phase ◽

Local Structure ◽

X Ray Diffraction ◽

X Ray ◽

Atomic Structures ◽

Crystallite Sizes ◽

Exafs Study ◽

The Difference ◽

X Ray Absorption ◽

Good Agreement

The local atomic structures around the Zr atom of pure (undoped) ZrO2nanopowders with different average crystallite sizes, ranging from 7 to 40 nm, have been investigated. The nanopowders were synthesized by different wet-chemical routes, but all exhibit the high-temperature tetragonal phase stabilized at room temperature, as established by synchrotron radiation X-ray diffraction. The extended X-ray absorption fine structure (EXAFS) technique was applied to analyze the local structure around the Zr atoms. Several authors have studied this system using the EXAFS technique without obtaining a good agreement between crystallographic and EXAFS data. In this work, it is shown that the local structure of ZrO2nanopowders can be described by a model consisting of two oxygen subshells (4 + 4 atoms) with different Zr—O distances, in agreement with those independently determined by X-ray diffraction. However, the EXAFS study shows that the second oxygen subshell exhibits a Debye–Waller (DW) parameter much higher than that of the first oxygen subshell, a result that cannot be explained by the crystallographic model accepted for the tetragonal phase of zirconia-based materials. However, as proposed by other authors, the difference in the DW parameters between the two oxygen subshells around the Zr atoms can be explained by the existence of oxygen displacements perpendicular to thezdirection; these mainly affect the second oxygen subshell because of the directional character of the EXAFS DW parameter, in contradiction to the crystallographic value. It is also established that this model is similar to another model having three oxygen subshells, with a 4 + 2 + 2 distribution of atoms, with only one DW parameter for all oxygen subshells. Both models are in good agreement with the crystal structure determined by X-ray diffraction experiments.

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Physical and Mechanical Properties of Cement Paste Were Used Partially with Fly Ash and Kaolin Waste

Applied Mechanics and Materials ◽

10.4028/www.scientific.net/amm.866.199 ◽

2017 ◽

Vol 866 ◽

pp. 199-203

Author(s):

Chidchanok Chainej ◽

Suparut Narksitipan ◽

Nittaya Jaitanong

Keyword(s):

Mechanical Properties ◽

Fly Ash ◽

Room Temperature ◽

Physical And Mechanical Properties ◽

Partial Replacement ◽

X Ray Diffraction ◽

X Ray ◽

Lime Water ◽

Diffraction Patterns ◽

Iron Mold

The aims of this research were study the microstructures and mechanical properties for partial replacement of cement with Fly ash (FA) and kaolin waste (KW). Ordinary Portland cement were partially replaced with FA and KW in the range of 25-35% and 10-25% by weight of cement powder. The kaolin waste was ground for 180 minutes before using. The specimen was packing into an iron mold which sample size of 5×5×5 cm3. Then, the specimens were kept at room temperature for 24 hours and were moist cured in the incubation lime water bath at age of 3 days. After that the specimens were dry cured with plastic wrap at age of 3, 7, 14 and 28 days. After that the compounds were examined by x-ray diffraction patterns (XRD) and the microstructures were examined by scanning electron microscopy (SEM). The compressive strength was then investigated.

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Features of the hydration process of the modified blended cement for fiber cement panels

MATEC Web of Conferences ◽

10.1051/matecconf/201817003030 ◽

2018 ◽

Vol 170 ◽

pp. 03030 ◽

Cited By ~ 3

Author(s):

Rustem Mukhametrakhimov ◽

Liliya Lukmanova

Keyword(s):

Electron Microscopy ◽

Mechanical Properties ◽

Blended Cement ◽

Physical And Mechanical Properties ◽

Hydration Process ◽

Cement Matrix ◽

X Ray Diffraction ◽

Structure Form ◽

Silicate Phase ◽

X Ray

The paper studies features of the hydration process of the modified blended cement for fiber cement panels (FCP) using differential thermal analysis, X-ray diffraction analysis, electron microscopy and infrared spectroscopy. It is found that deeper hydration process in silicate phase, denser and finer crystalline structure form in fiber cement matrix based on the modified blended cement. Generalization of this result to the case of fiber cement panels makes it possible to achieve formation of a denser and homogeneous structure with increased physical and mechanical properties.

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