Search results for: lattice thermal expansion
4932 Models to Calculate Lattice Spacing, Melting Point and Lattice Thermal Expansion of Ga₂Se₃ Nanoparticles
Authors: Mustafa Saeed Omar
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The formula which contains the maximum increase of mean bond length, melting entropy and critical particle radius is used to calculate lattice volume in nanoscale size crystals of Ga₂Se₃. This compound belongs to the binary group of III₂VI₃. The critical radius is calculated from the values of the first surface atomic layer height which is equal to 0.336nm. The size-dependent mean bond length is calculated by using an equation-free from fitting parameters. The size-dependent lattice parameter then is accordingly used to calculate the size-dependent lattice volume. The lattice size in the nanoscale region increases to about 77.6 A³, which is up to four times of its bulk state value 19.97 A³. From the values of the nanosize scale dependence of lattice volume, the nanoscale size dependence of melting temperatures is calculated. The melting temperature decreases with the nanoparticles size reduction, it becomes zero when the radius reaches to its critical value. Bulk melting temperature for Ga₂Se₃, for example, has values of 1293 K. From the size-dependent melting temperature and mean bond length, the size-dependent lattice thermal expansion is calculated. Lattice thermal expansion decreases with the decrease of nanoparticles size and reaches to its minimum value as the radius drops down to about 5nm.Keywords: Ga₂Se₃, lattice volume, lattice thermal expansion, melting point, nanoparticles
Procedia PDF Downloads 1684931 Pyroelectric Effect on Thermoelectricity of AlInN/GaN Heterostructures
Authors: B. K. Sahoo
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Superior thermoelectric (TE) efficiency of AlₓIn₁₋ₓN /GaN heterostructure (HS) requires a minimum value of thermal conductivity (k). A smaller k would lead to even further increase of TE figure of merit (ZT). The built-in polarization (BIP) electric field of AlₓIn₁₋ₓN /GaN HS enhances S, and σ of the HS, however, the effect of BIP field on k of the HS has not been explored. Study of thermal conductivities (k: without BIP and kp: including BIP) vs temperature predicts pyroelectric behavior of HS. Both k and kp show crossover at a temperature Tp. The result shows that below Tp, kp < k due to negative thermal expansion coefficient (TEC). However, above Tp, kp > k. Above Tp, piezoelectric polarization dominates over spontaneous polarization due to positive TEC. This generates more lattice mismatch resulting in the significant contribution of BIP field to thermal conductivity. Thus, Tp can be considered as primary pyroelectric transition temperature of the material as above Tp thermal expansion takes place which is the reason for the secondary pyroelectric effect. It is found that below Tp, kp is decreased; thus enhancing TE efficiency. For x=0.1, 0.2 and 0.3; Tp are close to 200, 210 and 260 K, respectively. Thus, k of the HS can be modified as per requirement by tailoring the Al composition; making it suitable simultaneously for the design of high-temperature pyroelectric sensors and TE module for maximum power production.Keywords: AlₓIn₁₋ₓN/GaN heterostructure, built in polarization, pyroelectric behavior, thermoelectric efficiency
Procedia PDF Downloads 1184930 Thermal Expansion Coefficient and Young’s Modulus of Silica-Reinforced Epoxy Composite
Authors: Hyu Sang Jo, Gyo Woo Lee
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In this study, the evaluation of thermal stability of the micrometer-sized silica particle reinforced epoxy composite was carried out through the measurement of thermal expansion coefficient and Young’s modulus of the specimens. For all the specimens in this study from the baseline to those containing 50 wt% silica filler, the thermal expansion coefficients and the Young’s moduli were gradually decreased down to 20% and increased up to 41%, respectively. The experimental results were compared with filler-volume-based simple empirical relations. The experimental results of thermal expansion coefficients correspond with those of Thomas’s model which is modified from the rule of mixture. However, the measured result for Young’s modulus tends to be increased slightly. The differences in increments of the moduli between experimental and numerical model data are quite large.Keywords: thermal stability, silica-reinforced, epoxy composite, coefficient of thermal expansion, empirical model
Procedia PDF Downloads 2944929 Grating Scale Thermal Expansion Error Compensation for Large Machine Tools Based on Multiple Temperature Detection
Authors: Wenlong Feng, Zhenchun Du, Jianguo Yang
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To decrease the grating scale thermal expansion error, a novel method which based on multiple temperature detections is proposed. Several temperature sensors are installed on the grating scale and the temperatures of these sensors are recorded. The temperatures of every point on the grating scale are calculated by interpolating between adjacent sensors. According to the thermal expansion principle, the grating scale thermal expansion error model can be established by doing the integral for the variations of position and temperature. A novel compensation method is proposed in this paper. By applying the established error model, the grating scale thermal expansion error is decreased by 90% compared with no compensation. The residual positioning error of the grating scale is less than 15um/10m and the accuracy of the machine tool is significant improved.Keywords: thermal expansion error of grating scale, error compensation, machine tools, integral method
Procedia PDF Downloads 3644928 Effect of Texture of Orthorhombic Martensite on Thermal Expansion of Metastable Titanium Alloy
Authors: E. Stepanova, N. Popov, S. Demakov, S. Stepanov
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This paper examines the so-called invar-type behavior of metastable titanium alloy subjected to cold rolling. The effect was shown to occur due to the anisotropy of thermal expansion of titanium orthorhombic martensite. By means of X-ray diffraction analysis and dilatometry analyses, the influence of crystallographic texture of orthorhombic martensite on the coefficient of thermal expansion of sheets of metastable titanium alloy VT23 was examined. Anisotropy of the coefficient of thermal expansion has been revealed. It was lower in the rolling plane and higher along the transverse direction of the cold-rolled sheet comparing to the coefficient of thermal expansion of the unprocessed alloy.Keywords: invar-type, cold rolling, metastable titanium alloy, texture
Procedia PDF Downloads 4304927 Ab Initio Study of Structural, Elastic, Electronic and Thermal Properties of Full Heusler
Authors: M. Khalfa, H. Khachai, F. Chiker, K. Bougherara, R. Khenata, G. Murtaza, M. Harmel
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A theoretical study of structural, elastic, electronic and thermodynamic properties of Fe2VX, (with X = Al and Ga), were studied by means of the full-relativistic version of the full-potential augmented plane wave plus local orbitals method. For exchange and correlation potential we used both generalized-gradient approximation (GGA) and local-density approximation (LDA). Our calculated ground state properties like as lattice constants, bulk modulus and elastic constants appear more accurate when we employed the GGA rather than the LDA approximation, and these results agree very well with the available experimental and theoretical data. Further, prediction of the thermal effects on some macroscopic properties of Fe2VAl and Fe2VGa are given in this paper using the quasi-harmonic Debye model in which the lattice vibrations are taken into account. We have obtained successfully the variations of the primitive cell volume, volume expansion coefficient, heat capacities and Debye temperature with pressure and temperature in the ranges of 0–40 GPa and 0–1500 K.Keywords: full Heusler, FP-LAPW, electronic properties, thermal properties
Procedia PDF Downloads 4944926 Thermal Effects of Phase Transitions of Cerium and Neodymium
Authors: M. Khundadze, V. Varazashvili, N. Lejava, R. Jorbenadze
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Phase transitions of cerium and neodymium are investigated by using high temperature scanning calorimeter (HT-1500 Seteram). For cerium two types of transformation are detected: at 350-372 K - hexagonal close packing (hcp) - face-centered cubic lattice (fcc) transition, and in 880-960K the face-centered cubic lattice (fcc) transformation into body-centered cubic lattice (bcc). For neodymium changing of hexagonal close packing (hcp) into body-centered cubic lattice (bcc) is detected at 1093-1113K. The thermal characteristics of transitions – enthalpy, entropy, temperature domains – are reported.Keywords: cerium, calorimetry, neodymium, enthalpy of phase transitions, neodymium
Procedia PDF Downloads 3684925 Hybrid Quasi-Steady Thermal Lattice Boltzmann Model for Studying the Behavior of Oil in Water Emulsions Used in Machining Tool Cooling and Lubrication
Authors: W. Hasan, H. Farhat, A. Alhilo, L. Tamimi
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Oil in water (O/W) emulsions are utilized extensively for cooling and lubricating cutting tools during parts machining. A robust Lattice Boltzmann (LBM) thermal-surfactants model, which provides a useful platform for exploring complex emulsions’ characteristics under variety of flow conditions, is used here for the study of the fluid behavior during conventional tools cooling. The transient thermal capabilities of the model are employed for simulating the effects of the flow conditions of O/W emulsions on the cooling of cutting tools. The model results show that the temperature outcome is slightly affected by reversing the direction of upper plate (workpiece). On the other hand, an important increase in effective viscosity is seen which supports better lubrication during the work.Keywords: hybrid lattice Boltzmann method, Gunstensen model, thermal, surfactant-covered droplet, Marangoni stress
Procedia PDF Downloads 3014924 Molecular Dynamics Simulations of the Structural, Elastic and Thermodynamic Properties of Cubic GaBi
Authors: M. Zemouli, K. Amara, M. Elkeurti, Y. Benallou
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We present the molecular dynamic simulations results of the structural and dynamical properties of the zinc-blende GaBi over a wide range of temperature (300-1000) K. Our simulation where performed in the framework of the three-body Tersoff potential, which accurately reproduces the lattice constants and elastic constants of the GaBi. A good agreement was found between our calculated results and the available theoretical data of the lattice constant, the bulk modulus and the cohesive energy. Our study allows us to predict the thermodynamic properties such as the specific heat and the lattice thermal expansion. In addition, this method allows us to check its ability to predict the phase transition of this compound. In particular, the transition pressure to the rock-salt phase is calculated and the results are compared with other available works.Keywords: Gallium compounds, molecular dynamics simulations, interatomic potential thermodynamic properties, structural phase transition
Procedia PDF Downloads 4444923 Molecular Dynamics Simulations of the Structural, Elastic, and Thermodynamic Properties of Cubic AlBi
Authors: M. Zemouli, K. Amara, M. Elkeurti, Y. Benallou
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We present a theoretical study of the structural, elastic and thermodynamic properties of the zinc-blende AlBi for a wide temperature range. The simulation calculation is performed in the framework of the molecular dynamics method using the three-body Tersoff potential which reproduces provide, with reasonable accuracy, the lattice constants and elastic constants. Our results for the lattice constant, the bulk modulus and cohesive energy are in good agreement with other theoretical available works. Other thermodynamic properties such as the specific heat and the lattice thermal expansion can also be predicted. In addition, this method allows us to check its ability to predict the phase transition of this compound. In particular, the transition pressure to the rock-salt phase is calculated and the results are compared with other available works.Keywords: aluminium compounds, molecular dynamics simulations, interatomic potential, thermodynamic properties, structural phase transition
Procedia PDF Downloads 3044922 Modeling Thermionic Emission from Carbon Nanotubes with Modified Richardson-Dushman Equation
Authors: Olukunle C. Olawole, Dilip Kumar De
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We have modified Richardson-Dushman equation considering thermal expansion of lattice and change of chemical potential with temperature in material. The corresponding modified Richardson-Dushman (MRDE) equation fits quite well the experimental data of thermoelectronic current density (J) vs T from carbon nanotubes. It provides a unique technique for accurate determination of W0 Fermi energy, EF0 at 0 K and linear thermal expansion coefficient of carbon nano-tube in good agreement with experiment. From the value of EF0 we obtain the charge carrier density in excellent agreement with experiment. We describe application of the equations for the evaluation of performance of concentrated solar thermionic energy converter (STEC) with emitter made of carbon nanotube for future applications.Keywords: carbon nanotube, modified Richardson-Dushman equation, fermi energy at 0 K, charge carrier density
Procedia PDF Downloads 3764921 Development of Materials Based on Phosphates of NaZr2(PO4)3 with Low Thermal Expansion
Authors: V. Yu. Volgutov, A. I. Orlova, S. A. Khainakov
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NaZr2(PO4)3 (NZP) and their structural analogues are characterized by a peculiar behaviors on heating – they have different expansion and contraction along different crystallographic directions due to specific arrangements of crystal structure in these compounds. An important feature of such structures is the ability to incorporate into their structural analogues wide variety of metal cations having different size and oxidation states, with different combinations and concentrations. These cations are located in different crystallographic non-equivalent positions of octahedral tetrahedral crystal framework as well as in inter-framework cavities. Through, due to iso- and hetero-valent isomorphism of the cations (and the anions) in NZP, it becomes possible to tuning the compositions and to obtain the compounds with ‘on a plan’ properties. For the design of compounds with low and ultra-low thermal expansion including those with tailored thermal expansion properties, the following crystallochemical principles it seems are promising: 1) Insertion into crystal M1 position the cations having different sizes and, 2) the variation in the composition of compounds, providing different occupation of crystal M1 position. Following these principles we have designed and synthesized the next NZP-type phosphates series: a) where radii of the cations in the M1 crystal position was varied: Zr1/4Zr2(PO4)3 - Th1/4Zr2(PO4)3 (series I); R1/3Zr2(PO4)3 where R= Nd, Eu, Er (series II), b) where the occupation of M1 crystal position was varied: Zr1/4Zr2(PO4)3-Er1/3Zr2(PO4)3 (series III) and Zr1/4Zr2(PO4)3-Sr1/2Zr2(PO4)3 (series IV). The thermal expansion parameters were determined over the range of 25-800ºC. For each series the minimum axial coefficient of thermal expansion αa = αb, αc and their anisotropy Δα = Iαa - αcI, 10-6 K-1 was found as next: -1.51, 1.07, 2.58 for Th1/4Zr2(PO4)3 (series I); -0.72, 0.10, 0.81 for Nd1/3Zr2(PO4)3 (series II); -2.78, 1.35, 4.12 for Er1/6Zr1/8Zr2(PO4)3 (series III); 2.23, 1.32, 0.91 for Sr1/2Zr2(PO4)3 (series IV). The measured tendencies of the thermal expansion of crystals were in good agreement with predicted ones. For one of the members from the studied phosphates namely Th1/16Zr3/16Zr2(PO4)3 structural refinement have been carried out at 25, 200, 600, and 800°C. The dependencies of the structural parameters with the temperature have been determined.Keywords: high-temperature crystallography, NaZr2(PO4)3, (NZP) analogs, structural-chemical principles, tuning thermal expansion
Procedia PDF Downloads 2334920 Remarks on the Lattice Green's Function for the Anisotropic Face Cantered Cubic Lattice
Authors: Jihad H. Asad
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An expression for the Green’s function (GF) of anisotropic face cantered cubic (IFCC) lattice is evaluated analytically and numerically for a single impurity problem. The density of states (DOS), phase shift and scattering cross section are expressed in terms of complete elliptic integrals of the first kind.Keywords: lattice Green's function, elliptic integral, physics, cubic lattice
Procedia PDF Downloads 4664919 The Structural, Elastic, Thermal, Electronic, and Magnetic Properties of Intermetallic rmn₂ge₂ (R=CA, Y, ND)
Authors: I. Benkaddour, Y. Benkaddour, A. Benk Addour
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The structural, elastic, Thermal, electronic, and magnetic properties of intermetallic RMn₂Ge₂ (R= Ca, Y, Nd) are investigated by density functional theory (DFT), using the full potential –linearised augmented plane wave method (FP-LAPW). In this approach, the local-density approximation (LDA) is used for the exchange-correlation (XC) potential. The equilibrium lattice constant and magnetic moment agree well with the experiment. The density of states shows that these phases are conductors, with contribution predominantly from the R and Mn d states. We have determined the elastic constants C₁₁, C₁₂, C₁₃, C₄₄, C₃₃, andC₆₆ at ambient conditions in, which have not been established neither experimentally nor theoretically. Thermal properties, including the relative expansion coefficients and the heat capacity, have been estimated using a quasi-harmonic Debye model.Keywords: RMn₂Ge₂, intermetallic, first-principles, density of states, mechanical properties
Procedia PDF Downloads 884918 Investigating the Effects of Thermal and Surface Energy on the Two-Dimensional Flow Characteristics of Oil in Water Mixture between Two Parallel Plates: A Lattice Boltzmann Method Study
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A hybrid quasi-steady thermal lattice Boltzmann model was used to study the combined effects of temperature and contact angle on the movement of slugs and droplets of oil in water (O/W) system flowing between two parallel plates. The model static contact angle due to the deposition of the O/W droplet on a flat surface with simulated hydrophilic characteristic at different fluid temperatures, matched very well the proposed theoretical calculation. Furthermore, the model was used to simulate the dynamic behavior of droplets and slugs deposited on the domain’s upper and lower surfaces, while subjected to parabolic flow conditions. The model accurately simulated the contact angle hysteresis for the dynamic droplets cases. It was also shown that at elevated temperatures the required power to transport the mixture diminished remarkably.Keywords: lattice Boltzmann method, Gunstensen model, thermal, contact angle, high viscosity ratio
Procedia PDF Downloads 3664917 Thermal Radiation Effect on Mixed Convection Boundary Layer Flow over a Vertical Plate with Varying Density and Volumetric Expansion Coefficient
Authors: Sadia Siddiqa, Z. Khan, M. A. Hossain
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In this article, the effect of thermal radiation on mixed convection boundary layer flow of a viscous fluid along a highly heated vertical flat plate is considered with varying density and volumetric expansion coefficient. The density of the fluid is assumed to vary exponentially with temperature, however; volumetric expansion coefficient depends linearly on temperature. Boundary layer equations are transformed into convenient form by introducing primitive variable formulations. Solutions of transformed system of equations are obtained numerically through implicit finite difference method along with Gaussian elimination technique. Results are discussed in view of various parameters, like thermal radiation parameter, volumetric expansion parameter and density variation parameter on the wall shear stress and heat transfer rate. It is concluded from the present investigation that increase in volumetric expansion parameter decreases wall shear stress and enhances heat transfer rate.Keywords: thermal radiation, mixed convection, variable density, variable volumetric expansion coefficient
Procedia PDF Downloads 3684916 Evaluation of Structural Integrity for Composite Lattice Structure
Authors: Jae Moon Im, Kwang Bok Shin, Sang Woo Lee
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In this paper, evaluation of structural integrity for composite lattice structure was conducted by compressive test. Composite lattice structure was manufactured by carbon fiber using filament winding method. In order to evaluate the structural integrity of composite lattice structure, compressive test was done using anti-buckling fixture. The delamination occurred 84 Tons of compressive load. It was found that composite lattice structure satisfied the design requirements.Keywords: composite material, compressive test, lattice structure, structural integrity
Procedia PDF Downloads 5014915 Phase Transitions of Cerium and Neodymium
Authors: M. Khundadze, V. Varazashvili, N. Lejava, R. Jorbenadze
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Phase transitions of cerium and neodymium are investigated by using high-temperature scanning calorimeter (HT-1500 Seteram). For cerium two types of transformation are detected: at 350-372 K - hexagonal close packing (hcp) - face-centered cubic lattice (fcc) transition, and at 880-960K the face-centered cubic lattice (fcc) transformation into body-centered cubic lattice (bcc). For neodymium changing of hexagonal close packing (hcp) into the body-centered cubic lattice (bcc) is detected at 1093-1113K. The thermal characteristics of transitions – enthalpy, entropy, temperature domains – are reported.Keywords: cerium, calorimetry, enthalpy of phase transitions, neodymium
Procedia PDF Downloads 3234914 Synthesis and Physiochemical Properties of 3-Propanenitrile Imidazolium - Based Dual Functionalized Ionic Liquids Incorporating Dioctyl Sulfosuccinate Anion
Authors: Abobakr Khidir Ziyada, Cecilia Devi Wilfred
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In the present work, a new series of 3-propanenitrile imidazolium-based Room Temperature Ionic Liquids (RTILs), incorporating dioctyl sulfosuccinate (DOSS) were prepared by reacting imidazole with acrylonitrile and then reacting the product with allyl chloride, 2-chloroethanol, and benzyl chloride. After the reaction had been completed, metathesis reaction was carried out using sodium dioctyl sulfosuccinate. The densities and viscosities of the present RTILs were measured at atmospheric pressure at T=293.15 to 353.15 K, the refractive index was measured at T=293.15 to 333.15 K, whereas, the start and decomposition temperatures were determined at heating rate 10°C. min^-1. The thermal expansion coefficient, densities at a range of temperatures and pressures, molecular volume, molar refraction, standard entropy and the lattice energy of these RTILs were also estimated. The present RTILs showed higher densities, similar refractive indices, and higher viscosities compared to the other 1-alkyl-3-propanenitrile imidazolium-based RTILs. The densities of the present synthesized RTILs are lower compared to the other nitrile-functionalized ILs. These present RTILs showed a weak temperature dependence on the thermal expansion coefficients, αp=5.0 × 10^−4 to 7.50 × 10−4 K^-1. Empirical correlations were proposed to represent the present data on the physical properties. The lattice energy for the present RTILs was similar to other nitrile–based imidazolium RTILs. The present RTILs showed very high molar refraction when compared similar RTILs incorporating other anions.Keywords: dioctyl sulfosuccinate, nitrile ILs, 3-propanenitrile, anion, room temperature ionic liquids, RTIL
Procedia PDF Downloads 3354913 Thermal Property Improvement of Silica Reinforced Epoxy Composite Specimens
Authors: Hyu Sang Jo, Gyo Woo Lee
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In this study, the mechanical and thermal properties of epoxy composites that are reinforced with micrometer-sized silica particles were investigated by using the specimen experiments. For all specimens used in this study (from the baseline to specimen containing 70 wt% silica filler), the tensile strengths were gradually increased by 8-10%, but the ductility of the specimen was decreased by 34%, compared with those of the baseline samples. Similarly, for the samples containing 70 wt% silica filler, the coefficient of thermal expansion was reduced by 25%, but the thermal conductivity was increased by 100%, compared with those of the baseline samples. The improvement of thermal stability of the silica-reinforced specimen was confirmed to be within the experimented range, and the smaller silica particle was found to be more effective in delaying the thermal expansion of the specimens. When the smaller particle was used as filler, due to the increased specific interface area between filler and matrix, the thermal conductivities of the composite specimens were measured to be slightly lower than those of the specimens reinforced with the larger particle.Keywords: carbon nanotube filler, epoxy composite, mechanical property, thermal property
Procedia PDF Downloads 2354912 Geometric Imperfections in Lattice Structures: A Simulation Strategy to Predict Strength Variability
Authors: Xavier Lorang, Ahmadali Tahmasebimoradi, Chetra Mang, Sylvain Girard
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The additive manufacturing processes (e.g. selective laser melting) allow us to produce lattice structures which have less weight, higher impact absorption capacity, and better thermal exchange property compared to the classical structures. Unfortunately, geometric imperfections (defects) in the lattice structures are by-products results of the manufacturing process. These imperfections decrease the lifetime and the strength of the lattice structures and alternate their mechanical responses. The objective of the paper is to present a simulation strategy which allows us to take into account the effect of the geometric imperfections on the mechanical response of the lattice structure. In the first part, an identification method of geometric imperfection parameters of the lattice structure based on point clouds is presented. These point clouds are based on tomography measurements. The point clouds are fed into the platform LATANA (LATtice ANAlysis) developed by IRT-SystemX to characterize the geometric imperfections. This is done by projecting the point clouds of each microbeam along the beam axis onto a 2D surface. Then, by fitting an ellipse to the 2D projections of the points, the geometric imperfections are characterized by introducing three parameters of an ellipse; semi-major/minor axes and angle of rotation. With regard to the calculated parameters of the microbeam geometric imperfections, a statistical analysis is carried out to determine a probability density law based on a statistical hypothesis. The microbeam samples are randomly drawn from the density law and are used to generate lattice structures. In the second part, a finite element model for the lattice structure with the simplified geometric imperfections (ellipse parameters) is presented. This numerical model is used to simulate the generated lattice structures. The propagation of the uncertainties of geometric imperfections is shown through the distribution of the computed mechanical responses of the lattice structures.Keywords: additive manufacturing, finite element model, geometric imperfections, lattice structures, propagation of uncertainty
Procedia PDF Downloads 1844911 3-D Strain Imaging of Nanostructures Synthesized via CVD
Authors: Sohini Manna, Jong Woo Kim, Oleg Shpyrko, Eric E. Fullerton
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CVD techniques have emerged as a promising approach in the formation of a broad range of nanostructured materials. The realization of many practical applications will require efficient and economical synthesis techniques that preferably avoid the need for templates or costly single-crystal substrates and also afford process adaptability. Towards this end, we have developed a single-step route for the reduction-type synthesis of nanostructured Ni materials using a thermal CVD method. By tuning the CVD growth parameters, we can synthesize morphologically dissimilar nanostructures including single-crystal cubes and Au nanostructures which form atop untreated amorphous SiO2||Si substrates. An understanding of the new properties that emerge in these nanostructures materials and their relationship to function will lead to for a broad range of magnetostrictive devices as well as other catalysis, fuel cell, sensor, and battery applications based on high-surface-area transition-metal nanostructures. We use coherent X-ray diffraction imaging technique to obtain 3-D image and strain maps of individual nanocrystals. Coherent x-ray diffractive imaging (CXDI) is a technique that provides the overall shape of a nanostructure and the lattice distortion based on the combination of highly brilliant coherent x-ray sources and phase retrieval algorithm. We observe a fine interplay of reduction of surface energy vs internal stress, which plays an important role in the morphology of nano-crystals. The strain distribution is influenced by the metal-substrate interface and metal-air interface, which arise due to differences in their thermal expansion. We find the lattice strain at the surface of the octahedral gold nanocrystal agrees well with the predictions of the Young-Laplace equation quantitatively, but exhibits a discrepancy near the nanocrystal-substrate interface resulting from the interface. The strain in the bottom side of the Ni nanocube, which is contacted on the substrate surface is compressive. This is caused by dissimilar thermal expansion coefficients between Ni nanocube and Si substrate. Research at UCSD support by NSF DMR Award # 1411335.Keywords: CVD, nanostructures, strain, CXRD
Procedia PDF Downloads 3914910 Numerical Investigation of Heat Transfer in Laser Irradiated Biological Samplebased on Dual-Phase-Lag Heat Conduction Model Using Lattice Boltzmann Method
Authors: Shashank Patidar, Sumit Kumar, Atul Srivastava, Suneet Singh
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Present work is concerned with the numerical investigation of thermal response of biological tissues during laser-based photo-thermal therapy for destroying cancerous/abnormal cells with minimal damage to the surrounding normal cells. Light propagation through the biological sample is mathematically modelled by transient radiative transfer equation. In the present work, application of the Lattice Boltzmann Method is extended to analyze transport of short-pulse radiation in a participating medium.In order to determine the two-dimensional temperature distribution inside the tissue medium, the RTE has been coupled with Penne’s bio-heat transfer equation based on Fourier’s law by several researchers in last few years.Keywords: lattice Boltzmann method, transient radiation transfer equation, dual phase lag model
Procedia PDF Downloads 3514909 Optimization of Alkali Silicate Glass Heat Treatment for the Improvement of Thermal Expansion and Flexural Strength
Authors: Stephanie Guerra-Arias, Stephani Nevarez, Calvin Stewart, Rachel Grodsky, Denis Eichorst
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The objective of this study is to describe the framework for optimizing the heat treatment of alkali silicate glasses, to enhance the performance of hermetic seals in extreme environments. When connectors are exposed to elevated temperatures, residual stresses develop due to the mismatch of thermal expansions between the glass, metal pin, and metal shell. Excessive thermal expansion mismatch compromises the reliability of hermetic seals. In this study, a series of heat treatment schedules will be performed on two commercial sealing glasses (one conventional sealing glass and one crystallizable sealing glass) using a design of experiments (DOE) approach. The coefficient of thermal expansion (CTE) will be measured pre- and post-heat treatment using thermomechanical analysis (TMA). Afterwards, the flexural strength of the specimen will be measured using a four-point bend fixture mounted in a static universal testing machine. The measured material properties will be statistically analyzed using MiniTab software to determine which factors of the heat treatment process have a strong correlation to the coefficient of thermal expansion and/or flexural strength. Finally, a heat-treatment will be designed and tested to ensure the optimal performance of the hermetic seals in connectors.Keywords: glass-ceramics, design of experiment, hermetic connectors, material characterization
Procedia PDF Downloads 1494908 Compressible Lattice Boltzmann Method for Turbulent Jet Flow Simulations
Authors: K. Noah, F.-S. Lien
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In Computational Fluid Dynamics (CFD), there are a variety of numerical methods, of which some depend on macroscopic model representatives. These models can be solved by finite-volume, finite-element or finite-difference methods on a microscopic description. However, the lattice Boltzmann method (LBM) is considered to be a mesoscopic particle method, with its scale lying between the macroscopic and microscopic scales. The LBM works well for solving incompressible flow problems, but certain limitations arise from solving compressible flows, particularly at high Mach numbers. An improved lattice Boltzmann model for compressible flow problems is presented in this research study. A higher-order Taylor series expansion of the Maxwell equilibrium distribution function is used to overcome limitations in LBM when solving high-Mach-number flows. Large eddy simulation (LES) is implemented in LBM to simulate turbulent jet flows. The results have been validated with available experimental data for turbulent compressible free jet flow at subsonic speeds.Keywords: compressible lattice Boltzmann method, multiple relaxation times, large eddy simulation, turbulent jet flows
Procedia PDF Downloads 2744907 Effect of Al Addition on Microstructure and Physical Properties of Fe-36Ni Invar Alloy
Authors: Seok Hong Min, Tae Kwon Ha
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High strength Fe-36Ni-base Invar alloys containing Al contents up to 0.3 weight percent were cast into ingots and thermodynamic equilibrium during solidification has been investigated in this study. From the thermodynamic simulation using Thermo-Calc®, it has been revealed that equilibrium phases which can be formed are two kinds of MC-type precipitates, MoC, and M2C carbides. The mu phase was also expected to form by addition of aluminum. Microstructure observation revealed the coarse precipitates in the as-cast ingots, which was non-equilibrium phase and could be resolved by the successive heat treatment. With increasing Al contents up to 0.3 wt.%, tensile strength of Invar alloy increased as 1400MPa after cold rolling and thermal expansion coefficient increased significantly. Cold rolling appeared to dramatically decrease thermal expansion coefficient.Keywords: invar alloy, aluminum, phase equilibrium, thermal expansion coefficient, microstructure, tensile properties
Procedia PDF Downloads 3704906 3D Hybrid Multiphysics Lattice Boltzmann Model for Studying the Flow Behavior of Emulsions in Structured Rectangular Microchannels
Authors: Luma Al-Tamimi, Hassan Farhat, Wessam Hasan
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A three-dimensional (3D) hybrid quasi-steady thermal lattice Boltzmann model is developed to couple the effects of surfactant, temperature, interfacial tension, and contact angle. This 3D model is an extended scheme of a previously introduced two-dimensional (2D) hybrid lattice Boltzmann model. The 3D model is used to study the combined multi-physics effects on emulsion systems flowing in rectangular microchannels with and without confinements, where the suspended phase is made of droplets, plugs, or a mixture of both. The simulation results show that emulsion systems with plugs as the suspended phase are more efficient than with droplets, whereas mixed systems that form large plugs through coalescence have even greater efficiency. The 3D contact angle model generates matching results to those of the 2D model, which were validated with experiments. Furthermore, the effects of various confinements on adhering single drop systems are investigated for delineating their influence on the power required for transporting the suspended phase through the channel. It is shown that the deeper the constriction is, the lower the system efficiency. Increasing the surfactant concentration or fluid temperature in a channel with confinement carries a substantial positive effect on oil droplet transportation.Keywords: lattice Boltzmann method, thermal, contact angle, surfactants, high viscosity ratio, porous media
Procedia PDF Downloads 1744905 Development of Al-5%Cu/Si₃N₄, B₄C or BN Composites for Piston Applications
Authors: Ahmed Lotfy, Andrey V. Pozdniakov, Vadim C. Zolotorevskiy
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The purpose of this research is to provide a competitive alternative to aluminum silicon alloys used in automotive applications. This alternative was created by developing three types of composites Al-5%Cu- (B₄C, BN or Si₃N₄) particulates with a low coefficient of thermal expansion. Stir casting was used to synthesis composites containing 2, 5 and 7 wt. % of B₄C, Si₃N₄ and 2, 5 of BN followed by squeeze casting. The squeeze casting process decreased the porosity of the final composites. The composites exhibited a fairly uniform particle distribution throughout the matrix alloy. The microstructure and XRD results of the composites suggested a significant reaction occurred at the interface between the particles and alloy. Increasing the aging temperature from 200 to 250°C decreased the hardness values of the matrix and the composites and decreased the time required to reach the peak. Turner model was used to calculate the expected values of thermal expansion coefficient CTE of matrix and its composites. Deviations between calculated and experimental values of CTE were not exceeded 10%. Al-5%Cu-B₄C composites experimentally showed the lowest values of CTE (17-19)·10-6 °С-1 and (19-20) ·10-6 °С-1 in the temperature range 20-100 °С and 20-200 °С respectively.Keywords: aluminum matrix composites, coefficient of thermal expansion, X-ray diffraction, squeeze casting, electron microscopy,
Procedia PDF Downloads 4084904 The Spectral Power Amplification on the Regular Lattices
Authors: Kotbi Lakhdar, Hachi Mostefa
Abstract:
We show that a simple transformation between the regular lattices (the square, the triangular, and the honeycomb) belonging to the same dimensionality can explain in a natural way the universality of the critical exponents found in phase transitions and critical phenomena. It suffices that the Hamiltonian and the lattice present similar writing forms. In addition, it appears that if a property can be calculated for a given lattice then it can be extrapolated simply to any other lattice belonging to the same dimensionality. In this study, we have restricted ourselves on the spectral power amplification (SPA), we note that the SPA does not have an effect on the critical exponents but does have an effect by the criticality temperature of the lattice; the generalisation to other lattice could be shown according to the containment principle.Keywords: ising model, phase transitions, critical temperature, critical exponent, spectral power amplification
Procedia PDF Downloads 3104903 Thermal Property of Multi-Walled-Carbon-Nanotube Reinforced Epoxy Composites
Authors: Min Ye Koo, Gyo Woo Lee
Abstract:
In this study, epoxy composite specimens reinforced with multi-walled carbon nanotube filler were fabricated using shear mixer and ultra-sonication processor. The mechanical and thermal properties of the fabricated specimens were measured and evaluated. From the electron microscope images and the results from the measurements of tensile strengths, the specimens having 0.6 wt% nanotube content show better dispersion and higher strength than those of the other specimens. The Young’s moduli of the specimens increased as the contents of the nanotube filler in the matrix were increased. The specimen having a 0.6 wt% nanotube filler content showed higher thermal conductivity than that of the other specimens. While, in the measurement of thermal expansion, specimens having 0.4 and 0.6 wt% filler contents showed a lower value of thermal expansion than that of the other specimens. On the basis of the measured and evaluated properties of the composites, we believe that the simple and time-saving fabrication process used in this study was sufficient to obtain improved properties of the specimens.Keywords: carbon nanotube filler, epoxy composite, ultra-sonication, shear mixer, mechanical property, thermal property
Procedia PDF Downloads 370