Search results for: direct numerical simulations
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 7786

Search results for: direct numerical simulations

6376 Measurement of VIP Edge Conduction Using Vacuum Guarded Hot Plate

Authors: Bongsu Choi, Tae-Ho Song

Abstract:

Vacuum insulation panel (VIP) is a promising thermal insulator for buildings, refrigerator, LNG carrier and so on. In general, it has the thermal conductivity of 2~4 mW/m•K. However, this thermal conductivity is that measured at the center of VIP. The total effective thermal conductivity of VIP is larger than this value due to the edge conduction through the envelope. In this paper, the edge conduction of VIP is examined theoretically, numerically and experimentally. To confirm the existence of the edge conduction, numerical analysis is performed for simple two-dimensional VIP model and a theoretical model is proposed to calculate the edge conductivity. Also, the edge conductivity is measured using the vacuum guarded hot plate and the experiment is validated against numerical analysis. The results show that the edge conductivity is dependent on the width of panel and thickness of Al-foil. To reduce the edge conduction, it is recommended that the VIP should be made as big as possible or made of thin Al film envelope.

Keywords: envelope, edge conduction, thermal conductivity, vacuum insulation panel

Procedia PDF Downloads 384
6375 Convective Interactions and Heat Transfer in a Czochralski Melt with a Model Phase Boundary of Two Different Shapes

Authors: R. Faiez, M. Mashhoudi, F. Najafi

Abstract:

Implicit in most large-scale numerical analyses of the crystal growth from the melt is the assumption that the shape and position of the phase boundary are determined by the transport phenomena coupled strongly to the melt hydrodynamics. In the present numerical study, the interface shape-effect on the convective interactions in a Czochralski oxide melt is described. It was demonstrated that thermos-capillary flow affects inversely the phase boundaries of distinct shapes. The in homogenity of heat flux and the location of the stagnation point at the crystallization front were investigated. The forced convection effect on the point displacement at the boundary found to be much stronger for the flat plate interface compared to the cone-shaped one with and without the Marangoni flow.

Keywords: computer simulation, fluid flow, interface shape, thermos-capillary effect

Procedia PDF Downloads 228
6374 Ground-Structure Interaction Analysis of Aged Tunnels

Authors: Behrang Dadfar, Hossein Bidhendi, Jimmy Susetyo, John Paul Abbatangelo

Abstract:

Finding structural demand under various conditions that a structure may experience during its service life is an important step towards structural life-cycle analysis. In this paper, structural demand for the precast concrete tunnel lining (PCTL) segments of Toronto’s 60-year-old subway tunnels is investigated. Numerical modelling was conducted using FLAC3D, a finite difference-based software capable of simulating ground-structure interaction and ground material’s flow in three dimensions. The specific structural details of the segmental tunnel lining, such as the convex shape of the PCTL segments at radial joints and the PCTL segment pockets, were considered in the numerical modelling. Also, the model was developed in a way to accommodate the flexibility required for the simulation of various deterioration scenarios, shapes, and patterns that have been observed over more than 20 years. The soil behavior was simulated by using plastic-hardening constitutive model of FLAC3D. The effect of the depth of the tunnel, the coefficient of lateral earth pressure as well as the patterns of deterioration of the segments were studied. The structural capacity under various deterioration patterns and the existing loading conditions was evaluated using axial-flexural interaction curves that were developed for each deterioration pattern. The results were used to provide recommendations for the next phase of tunnel lining rehabilitation program.

Keywords: precast concrete tunnel lining, ground-structure interaction, numerical modelling, deterioration, tunnels

Procedia PDF Downloads 144
6373 Comparison of Peri- and Post-Operative Outcomes of Three Left Atrial Incisions: Conventional Direct, Transseptal and Superior Septal Left Atriotomy

Authors: Estelle Démoulin, Dionysios Adamopoulos, Tornike Sologashvili, Mathieu Van Steenberghe, Jalal Jolou, Haran Burri, Christoph Huber, Mustafa Cikirikcioglu

Abstract:

Background & objective: Mitral valve surgeries are mainly performed by median sternotomy with conventional direct atriotomy. Good exposure to the mitral valve is challenging, especially for acute pathologies, where left atrium dilation does not occur. Other atriotomies, such as transseptal or superior septal, are used as they allow better access and visualization. Peri- and postoperative outcomes of these three different left atriotomies were compared. Methods: Patients undergoing mitral valve surgery between January 2010 and December 2020 were included and divided into three groups: group 1 (conventional direct, n=115), group 2 (transseptal, n=33) and group 3 (superior septal, n=59). To improve the sampling size, all patients underwent mitral valve surgery with or without associated procedures (CABG, aortic-tricuspid surgery, Maze procedure). The study protocol was approved by SwissEthics. Results: No difference was shown for the etiology of mitral valve disease, except endocarditis, which was more frequent in group 3 (p = 0.014). Elective surgeries and isolated mitral valve surgery were more frequent in group 1 (p = 0.008, p = 0.011) and aortic clamping and cardiopulmonary bypass were shorter (p = 0.002, p<0.001). Group 3 had more emergency procedures (p = 0.011) and longer lengths of intensive care unit and hospital stay (p = 0.000, p = 0.003). There was no difference in permanent pacemaker implantation, postoperative complications and mortality between the groups. Conclusion: Mitral valve surgeries can be safely performed using those three left atriotomies. Conventional direct may lead to shorter aortic clamping and cardiopulmonary bypass times. Superior septal is mostly used for acute pathologies, and it does not increase postoperative arrhythmias and permanent pacemaker implantation. However, intensive care unit and hospital lengths of stay were found to be longer in this group. In our opinion, this outcome is more related to the pathology and type of surgery than the incision itself.

Keywords: Mitral valve surgery, cardiac surgery, atriotomy, Operative outcomes

Procedia PDF Downloads 59
6372 Impure CO₂ Solubility Trapping in Deep Saline Aquifers: Role of Operating Conditions

Authors: Seyed Mostafa Jafari Raad, Hassan Hassanzadeh

Abstract:

Injection of impurities along with CO₂ into saline aquifers provides an exceptional prospect for low-cost carbon capture and storage technologies and can potentially accelerate large-scale implementation of geological storage of CO₂. We have conducted linear stability analyses and numerical simulations to investigate the effects of permitted impurities in CO₂ streams on the onset of natural convection and dynamics of subsequent convective mixing. We have shown that the rate of dissolution of an impure CO₂ stream with H₂S highly depends on the operating conditions such as temperature, pressure, and composition of impurity. Contrary to findings of previous studies, our results show that an impurity such as H₂S can potentially reduce the onset time of natural convection and can accelerate the subsequent convective mixing. However, at the later times, the rate of convective dissolution is adversely affected by the impurities. Therefore, the injection of an impure CO₂ stream can be engineered to improve the rate of dissolution of CO₂, which leads to higher storage security and efficiency. Accordingly, we have identified the most favorable CO₂ stream compositions based on the geophysical properties of target aquifers. Information related to the onset of natural convection such as the scaling relations and the most favorable operating conditions for CO₂ storage developed in this study are important in proper design, site screening, characterization and safety of geological storage. This information can be used to either identify future geological candidates for acid gas disposal or reviewing the current operating conditions of licensed injection sites.

Keywords: CO₂ storage, solubility trapping, convective dissolution, storage efficiency

Procedia PDF Downloads 182
6371 Direct-Displacement Based Design for Buildings with Non-Linear Viscous Dampers

Authors: Kelly F. Delgado-De Agrela, Sonia E. Ruiz, Marco A. Santos-Santiago

Abstract:

An approach is proposed for the design of regular buildings equipped with non-linear viscous dissipating devices. The approach is based on a direct-displacement seismic design method which satisfies seismic performance objectives. The global system involved is formed by structural regular moment frames capable of supporting gravity and lateral loads with elastic response behavior plus a set of non-linear viscous dissipating devices which reduce the structural seismic response. The dampers are characterized by two design parameters: (1) a positive real exponent α which represents the non-linearity of the damper, and (2) the damping coefficient C of the device, whose constitutive force-velocity law is given by F=Cvᵃ, where v is the velocity between the ends of the damper. The procedure is carried out using a substitute structure. Two limits states are verified: serviceability and near collapse. The reduction of the spectral ordinates by the additional damping assumed in the design process and introduced to the structure by the viscous non-linear dampers is performed according to a damping reduction factor. For the design of the non-linear damper system, the real velocity is considered instead of the pseudo-velocity. The proposed design methodology is applied to an 8-story steel moment frame building equipped with non-linear viscous dampers, located in intermediate soil zone of Mexico City, with a dominant period Tₛ = 1s. In order to validate the approach, nonlinear static analyses and nonlinear time history analyses are performed.

Keywords: based design, direct-displacement based design, non-linear viscous dampers, performance design

Procedia PDF Downloads 181
6370 Study on Inverse Solution from Remote Displacements to Reservoir Process during Flow Injection

Authors: Sumei Cai, Hong Li

Abstract:

Either during water or gas injection into reservoir, in order to understand the areal flow pressure distribution underground, associated bounding deformation is prevalently monitored by ground or downhole tiltmeters. In this paper, an inverse solution to elastic response of far field displacements induced by reservoir pressure change due to flow injection was studied. Furthermore, the fundamental theory on inverse solution to elastic problem as well as its spatial smoothing approach is presented. Taking advantage of source code development based on Boundary Element Method, numerical analysis on the monitoring data of ground surface displacements to further understand the behavior of reservoir process was developed. Numerical examples were also conducted to verify the effectiveness.

Keywords: remote displacement, inverse problem, boundary element method, BEM, reservoir process

Procedia PDF Downloads 100
6369 Analytical Determination of Electromechanical Coupling Effects on Interlaminar Stresses of Generally Laminated Piezoelectric Plates

Authors: Atieh Andakhshideh, S. Maleki, Sayed Sadegh Marashi

Abstract:

In this paper, the interlaminar stresses of generally laminated piezoelectric plates are presented. The electromechanical coupling effect of the piezoelectric plate is considered and the governing equations and boundary conditions are derived using the principle of minimum total potential energy. The solution procedure is a three-dimensional multi-term extended Kantorovich method (3DMTEKM). The objective of this paper is to accurately study coupling influence on the edge effects of piezolaminated plates with finite dimensions, arbitrary lamination lay-ups and under uniform axial strain. These results can provide a benchmark for checking the accuracy of the other numerical method or two-dimensional laminate theories. To verify the accuracy of the 3DMTEKM, first examples are simplified to special cases such as cross-ply or symmetric laminations and are compared with other analytical solutions available in the literature. Excellent agreement is achieved in validation test and other numerical results are presented for general cases. Numerical examples indicate the singular behavior of interlaminar normal/shear stresses and electric field strength components near the edges of the piezolaminated plates. The coupling influence on the free edge effect with respect to lamination lay-ups of piezoelectric plate is studied in several examples.

Keywords: electromechanical coupling, generally laminated piezoelectric plates, Kantorovich method, edge effect, interlaminar stresses

Procedia PDF Downloads 132
6368 Evaluation of Heat Transfer and Entropy Generation by Al2O3-Water Nanofluid

Authors: Houda Jalali, Hassan Abbassi

Abstract:

In this numerical work, natural convection and entropy generation of Al2O3–water nanofluid in square cavity have been studied. A two-dimensional steady laminar natural convection in a differentially heated square cavity of length L, filled with a nanofluid is investigated numerically. The horizontal walls are considered adiabatic. Vertical walls corresponding to x=0 and x=L are respectively maintained at hot temperature, Th and cold temperature, Tc. The resolution is performed by the CFD code "FLUENT" in combination with GAMBIT as mesh generator. These simulations are performed by maintaining the Rayleigh numbers varied as 103 ≤ Ra ≤ 106, while the solid volume fraction varied from 1% to 5%, the particle size is fixed at dp=33 nm and a range of the temperature from 20 to 70 °C. We used models of thermophysical nanofluids properties based on experimental measurements for studying the effect of adding solid particle into water in natural convection heat transfer and entropy generation of nanofluid. Such as models of thermal conductivity and dynamic viscosity which are dependent on solid volume fraction, particle size and temperature. The average Nusselt number is calculated at the hot wall of the cavity in a different solid volume fraction. The most important results is that at low temperatures (less than 40 °C), the addition of nanosolids Al2O3 into water leads to a decrease in heat transfer and entropy generation instead of the expected increase, whereas at high temperature, heat transfer and entropy generation increase with the addition of nanosolids. This behavior is due to the contradictory effects of viscosity and thermal conductivity of the nanofluid. These effects are discussed in this work.

Keywords: entropy generation, heat transfer, nanofluid, natural convection

Procedia PDF Downloads 252
6367 Design and Study of a Parabolic Trough Solar Collector for Generating Electricity

Authors: A. A. A. Aboalnour, Ahmed M. Amasaib, Mohammed-Almujtaba A. Mohammed-Farah, Abdelhakam, A. Noreldien

Abstract:

This paper presents a design and study of Parabolic Trough Solar Collector (PTC). Mathematical models were used in this work to find the direct and reflected solar radiation from the air layer on the surface of the earth per hour based on the total daily solar radiation on a horizontal surface. Also mathematical models had been used to calculate the radiation of the tilted surfaces. Most of the ingredients used in this project as previews data required on several solar energy applications, thermal simulation, and solar power systems. In addition, mathematical models had been used to study the flow of the fluid inside the tube (receiver), and study the effect of direct and reflected solar radiation on the pressure, temperature, speed, kinetic energy and forces of fluid inside the tube. Finally, the mathematical models had been used to study the (PTC) performances and estimate its thermal efficiency.

Keywords: CFD, experimental, mathematical models, parabolic trough, radiation

Procedia PDF Downloads 394
6366 A Numerical Hybrid Finite Element Model for Lattice Structures Using 3D/Beam Elements

Authors: Ahmadali Tahmasebimoradi, Chetra Mang, Xavier Lorang

Abstract:

Thanks to the additive manufacturing process, lattice structures are replacing the traditional structures in aeronautical and automobile industries. In order to evaluate the mechanical response of the lattice structures, one has to resort to numerical techniques. Ansys is a globally well-known and trusted commercial software that allows us to model the lattice structures and analyze their mechanical responses using either solid or beam elements. In this software, a script may be used to systematically generate the lattice structures for any size. On the one hand, solid elements allow us to correctly model the contact between the substrates (the supports of the lattice structure) and the lattice structure, the local plasticity, and the junctions of the microbeams. However, their computational cost increases rapidly with the size of the lattice structure. On the other hand, although beam elements reduce the computational cost drastically, it doesn’t correctly model the contact between the lattice structures and the substrates nor the junctions of the microbeams. Also, the notion of local plasticity is not valid anymore. Moreover, the deformed shape of the lattice structure doesn’t correspond to the deformed shape of the lattice structure using 3D solid elements. In this work, motivated by the pros and cons of the 3D and beam models, a numerically hybrid model is presented for the lattice structures to reduce the computational cost of the simulations while avoiding the aforementioned drawbacks of the beam elements. This approach consists of the utilization of solid elements for the junctions and beam elements for the microbeams connecting the corresponding junctions to each other. When the global response of the structure is linear, the results from the hybrid models are in good agreement with the ones from the 3D models for body-centered cubic with z-struts (BCCZ) and body-centered cubic without z-struts (BCC) lattice structures. However, the hybrid models have difficulty to converge when the effect of large deformation and local plasticity are considerable in the BCCZ structures. Furthermore, the effect of the junction’s size of the hybrid models on the results is investigated. For BCCZ lattice structures, the results are not affected by the junction’s size. This is also valid for BCC lattice structures as long as the ratio of the junction’s size to the diameter of the microbeams is greater than 2. The hybrid model can take into account the geometric defects. As a demonstration, the point clouds of two lattice structures are parametrized in a platform called LATANA (LATtice ANAlysis) developed by IRT-SystemX. In this process, for each microbeam of the lattice structures, an ellipse is fitted to capture the effect of shape variation and roughness. Each ellipse is represented by three parameters; semi-major axis, semi-minor axis, and angle of rotation. Having the parameters of the ellipses, the lattice structures are constructed in Spaceclaim (ANSYS) using the geometrical hybrid approach. The results show a negligible discrepancy between the hybrid and 3D models, while the computational cost of the hybrid model is lower than the computational cost of the 3D model.

Keywords: additive manufacturing, Ansys, geometric defects, hybrid finite element model, lattice structure

Procedia PDF Downloads 98
6365 Quintic Spline Method for Variable Coefficient Fourth-Order Parabolic Partial Differential Equations

Authors: Reza Mohammadi, Mahdieh Sahebi

Abstract:

We develop a method based on polynomial quintic spline for numerical solution of fourth-order non-homogeneous parabolic partial differential equation with variable coefficient. By using polynomial quintic spline in off-step points in space and finite difference in time directions, we obtained two three level implicit methods. Stability analysis of the presented method has been carried out. We solve four test problems numerically to validate the proposed derived method. Numerical comparison with other existence methods shows the superiority of our presented scheme.

Keywords: fourth-order parabolic equation, variable coefficient, polynomial quintic spline, off-step points, stability analysis

Procedia PDF Downloads 342
6364 Numerical Investigation of Pressure Drop in Core Annular Horizontal Pipe Flow

Authors: John Abish, Bibin John

Abstract:

Liquid-liquid flow in horizontal pipe is investigated in order to reveal the flow patterns arising from the co-existed flow of oil and water. The main focus of the study is to identify the feasibility of reducing the pumping power requirements of petroleum transportation lines by having an annular flow of water around the thick oil core. This idea makes oil transportation cheaper and easier. The present study uses computational fluid dynamics techniques to model oil-water flows with liquids of similar density and varying viscosity. The simulation of the flow is conducted using commercial package Ansys Fluent. Flow domain modeling and grid generation accomplished through ICEM CFD. The horizontal pipe is modeled with two different inlets and meshed with O-Grid mesh. The standard k-ε turbulence scheme along with the volume of fluid (VOF) multiphase modeling method is used to simulate the oil-water flow. Transient flow simulations carried out for a total period of 30s showed significant reduction in pressure drop while employing core annular flow concept. This study also reveals the effect of viscosity ratio, mass flow rates of individual fluids and ration of superficial velocities on the pressure drop across the pipe length. Contours of velocity and volume fractions are employed along with pressure predictions to assess the effectiveness of this proposed concept quantitatively as well as qualitatively. The outcome of the present study is found to be very relevant for the petrochemical industries.

Keywords: computational fluid dynamics, core-annular flows, frictional flow resistance, oil transportation, pressure drop

Procedia PDF Downloads 383
6363 Effect of Particle Shape on Monotonic and Cyclic Biaxial Behaviour of Sand Using Discrete Element Method

Authors: Raj Banerjee, Y. M. Parulekar, Aniruddha Sengupta, J. Chattopadhyay

Abstract:

This study proposes a Discrete Element Method (DEM) simulation using a commercial software PFC 2D (2019) for quantitatively simulating the monotonic and cyclic behaviour of sand using irregular shapes of sand grains. A preliminary analysis of the number of particles for optimal Representative Element Volume (REV) simulation of dimension 35mm x 35mm x 70mm using the scaled Grain Size Distribution (GSD) of sand is carried out. Subsequently, the effect of particle shape on the performance of sand during monotonic and cyclic bi-axial tests is assessed using numerical simulation. The validation of the numerical simulation for one case is carried out using the test results from the literature. Further numerical studies are performed in which the particles in REV are simulated by mixing round discs with irregular clumps (100% round disc, 75% round disc 25% irregular clump, 50% round disc 50% irregular clump, 25% round disc 75% irregular clump, 100% irregular clump) in different proportions using Dry Deposition (DD) method. The macro response for monotonic loading shows that irregular sand has a higher strength than round particles and that the Mohr-Coulomb failure envelope depends on the shape of the grains. During cyclic loading, it is observed that the liquefaction resistance curve (Cyclic Stress Ratio (CSR)-Number of cycles (N)) of sand is dependent on the combination of particle shapes with different proportions.

Keywords: biaxial test, particle shape, monotonic, cyclic

Procedia PDF Downloads 57
6362 Numerical Investigation of Tsunami Flow Characteristics and Energy Reduction through Flexible Vegetation

Authors: Abhishek Mukherjee, Juan C. Cajas, Jenny Suckale, Guillaume Houzeaux, Oriol Lehmkuhl, Simone Marras

Abstract:

The investigation of tsunami flow characteristics and the quantification of tsunami energy reduction through the coastal vegetation is important to understand the protective benefits of nature-based mitigation parks. In the present study, a three-dimensional non-hydrostatic incompressible Computational Fluid Dynamics model with a two-way coupling enabled fluid-structure interaction approach (FSI) is used. After validating the numerical model against experimental data, tsunami flow characteristics have been investigated by varying vegetation density, modulus of elasticity, the gap between stems, and arrangement or distribution of vegetation patches. Streamwise depth average velocity profiles, turbulent kinetic energy, energy flux reflection, and dissipation extracted by the numerical study will be presented in this study. These diagnostics are essential to assess the importance of different parameters to design the proper coastal defense systems. When a tsunami wave reaches the shore, it transforms into undular bores, which induce scour around offshore structures and sediment transport. The bed shear stress, instantaneous turbulent kinetic energy, and the vorticity near-bed will be presented to estimate the importance of vegetation to prevent tsunami-induced scour and sediment transport.

Keywords: coastal defense, energy flux, fluid-structure interaction, natural hazards, sediment transport, tsunami mitigation

Procedia PDF Downloads 131
6361 Evaluation of the Boiling Liquid Expanding Vapor Explosion Thermal Effects in Hassi R'Mel Gas Processing Plant Using Fire Dynamics Simulator

Authors: Brady Manescau, Ilyas Sellami, Khaled Chetehouna, Charles De Izarra, Rachid Nait-Said, Fati Zidani

Abstract:

During a fire in an oil and gas refinery, several thermal accidents can occur and cause serious damage to people and environment. Among these accidents, the BLEVE (Boiling Liquid Expanding Vapor Explosion) is most observed and remains a major concern for risk decision-makers. It corresponds to a violent vaporization of explosive nature following the rupture of a vessel containing a liquid at a temperature significantly higher than its normal boiling point at atmospheric pressure. Their effects on the environment generally appear in three ways: blast overpressure, radiation from the fireball if the liquid involved is flammable and fragment hazards. In order to estimate the potential damage that would be caused by such an explosion, risk decision-makers often use quantitative risk analysis (QRA). This analysis is a rigorous and advanced approach that requires a reliable data in order to obtain a good estimate and control of risks. However, in most cases, the data used in QRA are obtained from the empirical correlations. These empirical correlations generally overestimate BLEVE effects because they are based on simplifications and do not take into account real parameters like the geometry effect. Considering that these risk analyses are based on an assessment of BLEVE effects on human life and plant equipment, more precise and reliable data should be provided. From this point of view, the CFD modeling of BLEVE effects appears as a solution to the empirical law limitations. In this context, the main objective is to develop a numerical tool in order to predict BLEVE thermal effects using the CFD code FDS version 6. Simulations are carried out with a mesh size of 1 m. The fireball source is modeled as a vertical release of hot fuel in a short time. The modeling of fireball dynamics is based on a single step combustion using an EDC model coupled with the default LES turbulence model. Fireball characteristics (diameter, height, heat flux and lifetime) issued from the large scale BAM experiment are used to demonstrate the ability of FDS to simulate the various steps of the BLEVE phenomenon from ignition up to total burnout. The influence of release parameters such as the injection rate and the radiative fraction on the fireball heat flux is also presented. Predictions are very encouraging and show good agreement in comparison with BAM experiment data. In addition, a numerical study is carried out on an operational propane accumulator in an Algerian gas processing plant of SONATRACH company located in the Hassi R’Mel Gas Field (the largest gas field in Algeria).

Keywords: BLEVE effects, CFD, FDS, fireball, LES, QRA

Procedia PDF Downloads 169
6360 Computational Approach to Cyclin-Dependent Kinase 2 Inhibitors Design and Analysis: Merging Quantitative Structure-Activity Relationship, Absorption, Distribution, Metabolism, Excretion, and Toxicity, Molecular Docking, and Molecular Dynamics Simulations

Authors: Mohamed Moussaoui, Mouna Baassi, Soukayna Baammi, Hatim Soufi, Mohammed Salah, Rachid Daoud, Achraf EL Allali, Mohammed Elalaoui Belghiti, Said Belaaouad

Abstract:

The present study aims to investigate the quantitative structure-activity relationship (QSAR) of a series of Thiazole derivatives reported as anticancer agents (hepatocellular carcinoma), using principally the electronic descriptors calculated by the density functional theory (DFT) method and by applying the multiple linear regression method. The developed model showed good statistical parameters (R²= 0.725, R²ₐ𝒹ⱼ= 0.653, MSE = 0.060, R²ₜₑₛₜ= 0.827, Q²𝒸ᵥ = 0.536). The energy of the highest occupied molecular orbital (EHOMO) orbital, electronic energy (TE), shape coefficient (I), number of rotatable bonds (NROT), and index of refraction (n) were revealed to be the main descriptors influencing the anti-cancer activity. Additional Thiazole derivatives were then designed and their activities and pharmacokinetic properties were predicted using the validated QSAR model. These designed molecules underwent evaluation through molecular docking (MD) and molecular dynamic (MD) simulations, with binding affinity calculated using the MMPBSA script according to a 100 ns simulation trajectory. This process aimed to study both their affinity and stability towards Cyclin-Dependent Kinase 2 (CDK2), a target protein for cancer disease treatment. The research concluded by identifying four CDK2 inhibitors - A1, A3, A5, and A6 - displaying satisfactory pharmacokinetic properties. MDs results indicated that the designed compound A5 remained stable in the active center of the CDK2 protein, suggesting its potential as an effective inhibitor for the treatment of hepatocellular carcinoma. The findings of this study could contribute significantly to the development of effective CDK2 inhibitors.

Keywords: QSAR, ADMET, Thiazole, anticancer, molecular docking, molecular dynamic simulations, MMPBSA calculation

Procedia PDF Downloads 76
6359 Direct Laser Fabrication and Characterization of Cu-Al-Ni Shape Memory Alloy for Seismic Damping Applications

Authors: Gonzalo Reyes, Magdalena Walczak, Esteban Ramos-Moore, Jorge Ramos-Grez

Abstract:

Metal additive manufacture technologies have gained strong support and acceptance as a promising and alternative method to manufacture high performance complex geometry products. The main purpose of the present work is to study the microstructure and phase transformation temperatures of Cu-Al-Ni shape memory alloys fabricated from a direct laser additive process using metallic powders as precursors. The potential application is to manufacture self-centering seismic dampers for earthquake protection of buildings out of a copper based alloy by an additive process. In this process, the Cu-Al-Ni alloy is melted, inside of a high temperature and vacuum chamber with the aid of a high power fiber laser under inert atmosphere. The laser provides the energy to melt the alloy powder layer. The process allows fabricating fully dense, oxygen-free Cu-Al-Ni specimens using different laser power levels, laser powder interaction times, furnace ambient temperatures, and cooling rates as well as modifying concentration of the alloying elements. Two sets of specimens were fabricated with a nominal composition of Cu-13Al-3Ni and Cu-13Al-4Ni in wt.%, however, semi-quantitative chemical analysis using EDX examination showed that the specimens’ resulting composition was closer to Cu-12Al-5Ni and Cu-11Al-8Ni, respectively. In spite of that fact, it is expected that the specimens should still possess shape memory behavior. To confirm this hypothesis, phase transformation temperatures will be measured using DSC technique, to look for martensitic and austenitic phase transformations at 150°C. So far, metallographic analysis of the specimens showed defined martensitic microstructures. Moreover, XRD technique revealed diffraction peaks corresponding to (0 0 18) and (1 2 8) planes, which are too associated with the presence of martensitic phase. We conclude that it would be possible to obtain fully dense Cu-Al-Ni alloys having shape memory effect behavior by direct laser fabrication process, and to advance into fabrication of self centering seismic dampers by a controllable metal additive manufacturing process.

Keywords: Cu-Al-Ni alloys, direct laser fabrication, shape memory alloy, self-centering seismic dampers

Procedia PDF Downloads 502
6358 The Analysis of the Two Dimensional Huxley Equation Using the Galerkin Method

Authors: Pius W. Molo Chin

Abstract:

Real life problems such as the Huxley equation are always modeled as nonlinear differential equations. These problems need accurate and reliable methods for their solutions. In this paper, we propose a nonstandard finite difference method in time and the Galerkin combined with the compactness method in the space variables. This coupled method, is used to analyze a two dimensional Huxley equation for the existence and uniqueness of the continuous solution of the problem in appropriate spaces to be defined. We proceed to design a numerical scheme consisting of the aforementioned method and show that the scheme is stable. We further show that the stable scheme converges with the rate which is optimal in both the L2 as well as the H1-norms. Furthermore, we show that the scheme replicates the decaying qualities of the exact solution. Numerical experiments are presented with the help of an example to justify the validity of the designed scheme.

Keywords: Huxley equations, non-standard finite difference method, Galerkin method, optimal rate of convergence

Procedia PDF Downloads 193
6357 Mean Square Responses of a Cantilever Beam with Various Damping Mechanisms

Authors: Yaping Zhao, Yimin Zhang

Abstract:

In the present paper, the stationary random vibration of a uniform cantilever beam is investigated. Two types of damping mechanism, i.e. the external and internal viscous dampings, are taken into account simultaneously. The excitation form is the support motion, and it is ideal white. Because two type of damping mechanism are considered concurrently, the product of the modal damping ratio and the natural frequency is not a constant anymore. As a result, the infinite definite integral encountered in the process of computing the mean square response is more complex than that in the existing literature. One signal progress of this work is to have calculated these definite integrals accurately. The precise solution of the mean square response is thus obtained in the infinite series form finally. Numerical examples are supplied and the numerical outcomes acquired confirm the validity of the theoretical analyses.

Keywords: random vibration, cantilever beam, mean square response, white noise

Procedia PDF Downloads 370
6356 Heat Forging Analysis Method on Blank Consist of Two Metals

Authors: Takashi Ueda, Shinichi Enoki

Abstract:

Forging parts is used to automobiles. Because they have high strength and it is possible to press them into complicated shape. When it is possible to manufacture hollow forging parts, it leads to reduce weight of the automobiles. But, hollow forging parts are confined to axisymmetrical shape. Hollow forging parts that were pressed to complicated shape are expected. Therefore, we forge a blank that aluminum alloy was inserted in stainless steel. After that, we can provide complex forging parts that are reduced weight, if it is possible to be melted the aluminum alloy away by using different of melting points. It is necessary to establish heat forging analysis method on blank consist of stainless steel and aluminum alloy. Because, this forging is different from conventional forging and this technology is not confirmed. In this study, we compared forging experiment with numerical analysis on the view point of forming load and shape after forming and establish how to set the material temperatures of two metals and material property of stainless steel on the analysis method. Consequently, temperature difference of stainless steel and aluminum alloy was obtained by experiment. We got material property of stainless steel on forging experimental by compression tests. We had compared numerical analysis that was used the temperature difference of two metals and the material property of stainless steel on forging experimental with forging experiment. Forging analysis method on blank consist of two metals was established by result of numerical analysis having agreed with result of forging experiment.

Keywords: forging, lightweight, analysis, hollow

Procedia PDF Downloads 396
6355 Effect of Fault Depth on Near-Fault Peak Ground Velocity

Authors: Yanyan Yu, Haiping Ding, Pengjun Chen, Yiou Sun

Abstract:

Fault depth is an important parameter to be determined in ground motion simulation, and peak ground velocity (PGV) demonstrates good application prospect. Using numerical simulation method, the variations of distribution and peak value of near-fault PGV with different fault depth were studied in detail, and the reason of some phenomena were discussed. The simulation results show that the distribution characteristics of PGV of fault-parallel (FP) component and fault-normal (FN) component are distinctly different; the value of PGV FN component is much larger than that of FP component. With the increase of fault depth, the distribution region of the FN component strong PGV moves forward along the rupture direction, while the strong PGV zone of FP component becomes gradually far away from the fault trace along the direction perpendicular to the strike. However, no matter FN component or FP component, the strong PGV distribution area and its value are both quickly reduced with increased fault depth. The results above suggest that the fault depth have significant effect on both FN component and FP component of near-fault PGV.

Keywords: fault depth, near-fault, PGV, numerical simulation

Procedia PDF Downloads 327
6354 Free Convective Flow in a Vertical Cylinder with Heat Sink: A Numerical Study

Authors: Emmanuel Omokhuale

Abstract:

A mathematical model is presented to study free convective boundary layer flow in a semi-infinite vertical cylinder with heat sink effect in a porous medium. The governing dimensional governing partial differential equations (PDEs) with corresponding initial and boundary conditions are approximated and solved numerically employing finite difference method (FDM) the implicit type. Stability and convergence of the scheme are also established. Furthermore, the influence of significant physical parameters on the flow characteristics was analysed and shown graphically. The obtained results are benchmarked with previously published works in order to access the accuracy of the numerical method and found to be in good agreement.

Keywords: free convection flow, vertical cylinder, implicit finite difference method, heat sink and porous medium

Procedia PDF Downloads 122
6353 Numerical Investigation on the Influence of Incoming Flow Conditions on the Rotating Stall in Centrifugal Pump

Authors: Wanru Huang, Fujun Wang, Chaoyue Wang, Yuan Tang, Zhifeng Yao, Ruofu Xiao, Xin Chen

Abstract:

Rotating stall in centrifugal pump is an unsteady flow phenomenon that causes instabilities and high hydraulic losses. It typically occurs at low flow rates due to large flow separation in impeller blade passage. In order to reveal the influence of incoming flow conditions on rotating stall in centrifugal pump, a numerical method for investigating rotating stall was established. This method is based on a modified SST k-ω turbulence model and a fine mesh model was adopted. The calculated flow velocity in impeller by this method was in good agreement with PIV results. The effects of flow rate and sealing-ring leakage on stall characteristics of centrifugal pump were studied by using the proposed numerical approach. The flow structures in impeller under typical flow rates and typical sealing-ring leakages were analyzed. It is found that the stall vortex frequency and circumferential propagation velocity increase as flow rate decreases. With the flow rate decreases from 0.40Qd to 0.30Qd, the stall vortex frequency increases from 1.50Hz to 2.34Hz, the circumferential propagation velocity of the stall vortex increases from 3.14rad/s to 4.90rad/s. Under almost all flow rate conditions where rotating stall is present, there is low frequency of pressure pulsation between 0Hz-5Hz. The corresponding pressure pulsation amplitude increases with flow rate decreases. Taking the measuring point at the leading edge of the blade pressure surface as an example, the flow rate decreases from 0.40Qd to 0.30Qd, the pressure fluctuation amplitude increases by 86.9%. With the increase of leakage, the flow structure in the impeller becomes more complex, and the 8-shaped stall vortex is no longer stable. On the basis of the 8-shaped stall vortex, new vortex nuclei are constantly generated and fused with the original vortex nuclei under large leakage. The upstream and downstream vortex structures of the 8-shaped stall vortex have different degrees of swimming in the flow passage, and the downstream vortex swimming is more obvious. The results show that the proposed numerical approach could capture the detail vortex characteristics, and the incoming flow conditions have significant effects on the stall vortex in centrifugal pumps.

Keywords: centrifugal pump, rotating stall, numerical simulation, flow condition, vortex frequency

Procedia PDF Downloads 121
6352 Study on the Effects of Grassroots Characteristics on Reinforced Soil Performance by Direct Shear Test

Authors: Zhanbo Cheng, Xueyu Geng

Abstract:

Vegetation slope protection technique is economic, aesthetic and practical. Herbs are widely used in practice because of rapid growth, strong erosion resistance, obvious slope protection and simple method, in which the root system of grass plays a very important role. In this paper, through changing the variables value of grassroots quantity, grassroots diameter, grassroots length and grassroots reinforce layers, the direct shear tests were carried out to discuss the change of shear strength indexes of grassroots reinforced soil under different reinforce situations, and analyse the effects of grassroots characteristics on reinforced soil performance. The laboratory test results show that: (1) in the certain number of grassroots diameter, grassroots length and grassroots reinforce layers, the value of shear strength, and cohesion first increase and then reduce with the increasing of grassroots quantity; (2) in the certain number of grassroots quantity, grassroots length and grassroots reinforce layers, the value of shear strength and cohesion rise with the increasing of grassroots diameter; (3) in the certain number of grassroots diameter, and grassroots reinforce layers, the value of shear strength and cohesion raise with the increasing of grassroots length in a certain range of grassroots quantity, while the value of shear strength and cohesion first rise and then decline with the increasing of grassroots length when the grassroots quantity reaches a certain value; (4) in the certain number of grassroots quantity, grassroots diameter, and grassroots length, the value of shear strength and cohesion first climb and then decline with the increasing of grassroots reinforced layers; (5) the change of internal friction angle is small in different parameters of grassroots. The research results are of importance for understanding the mechanism of vegetation protection for slopes and determining the parameters of grass planting.

Keywords: direct shear test, reinforced soil, grassroots characteristics, shear strength indexes

Procedia PDF Downloads 157
6351 Mechanical Characterization of Porcine Skin with the Finite Element Method Based Inverse Optimization Approach

Authors: Djamel Remache, Serge Dos Santos, Michael Cliez, Michel Gratton, Patrick Chabrand, Jean-Marie Rossi, Jean-Louis Milan

Abstract:

Skin tissue is an inhomogeneous and anisotropic material. Uniaxial tensile testing is one of the primary testing techniques for the mechanical characterization of skin at large scales. In order to predict the mechanical behavior of materials, the direct or inverse analytical approaches are often used. However, in case of an inhomogeneous and anisotropic material as skin tissue, analytical approaches are not able to provide solutions. The numerical simulation is thus necessary. In this work, the uniaxial tensile test and the FEM (finite element method) based inverse method were used to identify the anisotropic mechanical properties of porcine skin tissue. The uniaxial tensile experiments were performed using Instron 8800 tensile machine®. The uniaxial tensile test was simulated with FEM, and then the inverse optimization approach (or the inverse calibration) was used for the identification of mechanical properties of the samples. Experimentally results were compared to finite element solutions. The results showed that the finite element model predictions of the mechanical behavior of the tested skin samples were well correlated with experimental results.

Keywords: mechanical skin tissue behavior, uniaxial tensile test, finite element analysis, inverse optimization approach

Procedia PDF Downloads 386
6350 A Study of a Plaque Inhibition Through Stenosed Bifurcation Artery considering a Biomagnetic Blood Flow and Elastic Walls

Authors: M. A. Anwar, K. Iqbal, M. Razzaq

Abstract:

Background and Objectives: This numerical study reflects the magnetic field's effect on the reduction of plaque formation due to stenosis in a stenosed bifurcated artery. The entire arterythe wall is assumed as linearly elastic, and blood flow is modeled as a Newtonian, viscous, steady, incompressible, laminar, biomagnetic fluid. Methods: An Arbitrary Lagrangian-Eulerian (ALE) technique is employed to formulate the hemodynamic flow in a bifurcated artery under the effect of the asymmetric magnetic field by two-way Fluid-structure interaction coupling. A stable P2P1 finite element pair is used to discretize thenonlinear system of partial differential equations. The resulting nonlinear system of algebraic equations is solved by the Newton Raphson method. Results: The numerical results for displacement, velocity magnitude, pressure, and wall shear stresses for Reynolds numbers, Re = 500, 1000, 1500, 2000, in the presence of magnetic fields are presented graphically. Conclusions: The numerical results show that the presence of the magnetic field influences the displacement and flows velocity magnitude considerably. The magnetic field reduces the flow separation, recirculation area adjacent to stenosis and gives rise to wall shear stress.

Keywords: bifurcation, elastic walls, finite element, wall shear stress,

Procedia PDF Downloads 154
6349 Estimation of the Length and Location of Ground Surface Deformation Caused by the Reverse Faulting

Authors: Nader Khalafian, Mohsen Ghaderi

Abstract:

Field observations have revealed many examples of structures which were damaged due to ground surface deformation caused by the faulting phenomena. In this paper some efforts were made in order to estimate the length and location of the ground surface where large displacements were created due to the reverse faulting. This research has conducted in two steps; (1) in the first step, a 2D explicit finite element model were developed using ABAQUS software. A subroutine for Mohr-Coulomb failure criterion with strain softening model was developed by the authors in order to properly model the stress strain behavior of the soil in the fault rapture zone. The results of the numerical analysis were verified with the results of available centrifuge experiments. Reasonable coincidence was found between the numerical and experimental data. (2) In the second step, the effects of the fault dip angle (δ), depth of soil layer (H), dilation and friction angle of sand (ψ and φ) and the amount of fault offset (d) on the soil surface displacement and fault rupture path were investigated. An artificial neural network-based model (ANN), as a powerful prediction tool, was developed to generate a general model for predicting faulting characteristics. A properly sized database was created to train and test network. It was found that the length and location of the zone of displaced ground surface can be accurately estimated using the proposed model.

Keywords: reverse faulting, surface deformation, numerical, neural network

Procedia PDF Downloads 408
6348 Double-Spear 1-H2-1 Oncolytic-Immunotherapy for Refractory and Relapsing High-Risk Human Neuroblastoma and Glioma

Authors: Lian Zeng

Abstract:

Double-Spear 1-H2-1 (DS1-H2-1) is an oncolytic virus and an innovative biological drug candidate. The chemical composition of the drug product is a live attenuated West Nile virus (WNV) containing the human T cell costimulator (CD86) gene. After intratumoral injection, the virus can rapidly self-replicate in the injected site and lyse/kill the tumor by repeated infection among tumor cells. We also established xenograft tumor models in mice to evaluate the drug candidate's efficacy on those tumors. The results from preclinical studies on transplanted tumors in immunodeficient mice showed that DS1-H2-1 had significant oncolytic effects on human-origin cancers: it completely (100%) shrieked human glioma; limited human neuroblastoma growth reached as high as 95% growth inhibition rate (%TGITW). The safety data of preclinical animal experiments confirmed that DS1-H2-1 is safe as a biological drug for clinical use. In the preclinical drug efficacy experiment, virus-drug administration with different doses did not show abnormal signs and disease symptoms in more than 300 tested mice, and no side effects or death occurred through various administration routes. Intravenous administration did not cause acute infectious disease or other side effects. However, the replication capacity of the virus in tumor tissue via intravenous administration is only 1% of that of direct intratumoral administration. The direct intratumoral administration of DS1-H2-1 had a higher rate of viral replication. Therefore, choosing direct intratumoral injection can ensure both efficacy and safety.

Keywords: oncolytic virus, WNV-CD86, immunotherapy drugs, glioma, neuroblastoma

Procedia PDF Downloads 86
6347 Singular Perturbed Vector Field Method Applied to the Problem of Thermal Explosion of Polydisperse Fuel Spray

Authors: Ophir Nave

Abstract:

In our research, we present the concept of singularly perturbed vector field (SPVF) method, and its application to thermal explosion of diesel spray combustion. Given a system of governing equations, which consist of hidden Multi-scale variables, the SPVF method transfer and decompose such system to fast and slow singularly perturbed subsystems (SPS). The SPVF method enables us to understand the complex system, and simplify the calculations. Later powerful analytical, numerical and asymptotic methods (e.g method of integral (invariant) manifold (MIM), the homotopy analysis method (HAM) etc.) can be applied to each subsystem. We compare the results obtained by the methods of integral invariant manifold and SPVF apply to spray droplets combustion model. The research deals with the development of an innovative method for extracting fast and slow variables in physical mathematical models. The method that we developed called singular perturbed vector field. This method based on a numerical algorithm applied to global quasi linearization applied to given physical model. The SPVF method applied successfully to combustion processes. Our results were compared to experimentally results. The SPVF is a general numerical and asymptotical method that reveals the hierarchy (multi-scale system) of a given system.

Keywords: polydisperse spray, model reduction, asymptotic analysis, multi-scale systems

Procedia PDF Downloads 204