Search results for: Non-EquilibriumMolecular Dynamics (NEMD).

Authors: Nahid Ghasemi, Morteza Sohrabi, Yasan Soleymani

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The quantified residence time distribution (RTD) provides a numerical characterization of mixing in a reactor, thus allowing the process engineer to better understand mixing performance of the reactor.This paper discusses computational studies to investigate flow patterns in a two impinging streams cyclone reactor(TISCR) . Flow in the reactor was modeled with computational fluid dynamics (CFD). Utilizing the Eulerian- Lagrangian approach, implemented in FLUENT (V6.3.22), particle trajectories were obtained by solving the particle force balance equations. From simulation results obtained at different Δts, the mean residence time (tm) and the mean square deviation (σ2) were calculated. a good agreement can be observed between predicted and experimental data. Simulation results indicate that the behavior of complex reactor systems can be predicted using the CFD technique with minimum data requirement for validation.

Keywords: Impinging streams reactor, Residence timedistribution, CFD, Eulerian-Lagrangian approach

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Authors: Mohammad Hadi Bordbar, Timo Hyppänen

Abstract:

The radiative exchange method is introduced as a numerical method for the simulation of radiative heat transfer in an absorbing, emitting and isotropically scattering media. In this method, the integro-differential radiative balance equation is solved by using a new introduced concept for the exchange factor. Even though the radiative source term is calculated in a mesh structure that is coarser than the structure used in computational fluid dynamics, calculating the exchange factor between different coarse elements by using differential integration elements makes the result of the method close to that of integro-differential radiative equation. A set of equations for calculating exchange factors in two and threedimensional Cartesian coordinate system is presented, and the method is used in the simulation of radiative heat transfer in twodimensional rectangular case and a three-dimensional simple cube. The result of using this method in simulating different cases is verified by comparing them with those of using other numerical radiative models.

Keywords: Exchange factor, Numerical simulation, Thermal radiation.

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Authors: K. Benhabib, X. Pierens, V-D Nguyen, G. Mimanne

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The main hypothesis of the dynamics of solid phase microextraction (SPME) is that steady-state mass transfer is respected throughout the SPME extraction process. It considers steady-state diffusion is established in the two phases and fast exchange of the analyte at the solid phase film/water interface. An improved model is proposed in this paper to handle with the situation when the analyte (atrazine) is in contact with colloid suspensions (carboxylate latex in aqueous solution). A mathematical solution is obtained by substituting the diffusion coefficient by the mean of diffusion coefficient between analyte and carboxylate latex, and also thickness layer by the mean thickness in aqueous solution. This solution provides an equation relating the extracted amount of the analyte to the extraction a little more complicated than previous models. It also gives a better description of experimental observations. Moreover, the rate constant of analyte obtained is in satisfactory agreement with that obtained from the initial curve fitting.

Keywords: Pesticide, SPME methods, polyacrylate, steady state.

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Authors: Valarie A. Williams

Abstract:

This paper is a nonempirical analysis of existing literature on virtual leadership, transformational leadership, and remote work cultures. This paper will provide insight into how virtual workplaces can utilize transformational leadership styles to overcome challenges that have become a reality due to the COVID-19 Pandemic. Many organizations were forced into remote work to remain viable. It investigates the obstacles of working from home and the challenges leaders face in coaching and development. Employees lack face-to-face interactions and begin to feel isolated. Leaders cannot have in-person meetings and conversations and struggle to engage and encourage employees. In acknowledging the different dynamics of virtual work environments, organizations can make the necessary adjustments to best support employees. This paper reviews prior research studies and applies what is known to assist with current obstacles. This paper addresses how transformational leadership will assist in overcoming challenges within virtual work environments.

Keywords: Challenges in remote work, transformational leadership, virtual leadership, virtual work environments.

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Authors: S. Al-Asheh, K. Al-Emadi

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In recent years, there have been attempts to store natural gas in adsorptive form. This is called adsorptive natural gas, or ANG. The problem with this technology is the low sorption capacity. The purpose is to achieve compressed natural gas (CNG) capacity of 230 V/V. Further research is required to achieve such target. Several research studies have been performed with this target; through either the modification or development of new sorbents or the optimization of the operation sorption process itself. In this work, storage of methane on molecular sieves 5A and 13X was studied on dry basis, and on wet basis to certain extent. The temperature and the pressure dynamics were investigated. The results indicated that regardless of the charge pressure, the time for the peak temperature during the methane charge process is always the same. This can be used as a characteristic of the adsorbent. The total achieved deliveries using molecular sieves were much lower than that of activated carbons; 53.0 V/V for the case of 13X molecular sieves and 43 V/V for the case of 5A molecular sieves, both at 2oC and 4 MPa (580 psi). Investigation of charge pressure dynamic using wet molecular sieves at 2oC and a mass ratio of 0.5, revealed slowness of the process and unexpected behavior.

Keywords: Methane, Molecular sieves, Adsorption, Delivery, Storage.

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Authors: Kyoungwoo Park, Chol-Ho Hong, Sedoo Oh, Seongjoon Moon

Abstract:

Diesel vehicle should be equipped with emission after-treatment devices as NOx reduction catalyst and particulate filtersin order to meet more stringer diesel emission standard. Urea-SCR is being developed as the most efficient method of reducing NOx emissions in the after-treatment devices of diesel engines, and recent studies have begun to mount the Urea-SCR device for diesel passenger cars and light duty vehicles. In the present study, the effects of the mixer on the efficiency of urea-SCR System (i.e., NH₃uni- formityindex (NH₃ UI) is investigated by predicting the transport phenomena in the urea-SCR system. The three dimensional Eulerian-Lagrangian CFD simulationfor internal flow and spray characteristics in front of SCR is carried out by using STAR-CCM+ 7.06 code. In addition, the paper proposes a method to minimize the wall-wetting around the urea injector in order to prevent injector blocks caused by solid urea loading.

Keywords: Computational fluid dynamics, Multi-phase flow, NH3 uniformity index, Urea-SCR system, Urea-water-solution.

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Authors: Igor Astrov, Andrus Pedai, Boris Gordon

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This paper focuses on a critical component of the situational awareness (SA), the control of autonomous vertical flight for tactical unmanned aerial vehicle (TUAV). With the SA strategy, we proposed a two stage flight control procedure using two autonomous control subsystems to address the dynamics variation and performance requirement difference in initial and final stages of flight trajectory for an unmanned helicopter model with coaxial rotor and ducted fan configuration. This control strategy for chosen model of TUAV has been verified by simulation of hovering maneuvers using software package Simulink and demonstrated good performance for fast stabilization of engines in hovering, consequently, fast SA with economy in energy can be asserted during search-and-rescue operations.

Keywords: Coaxial rotors, ducted fan, NARMA-L2 neurocontroller, situational awareness, tactical unmanned aerial vehicle.

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Authors: Madiha Tariq, Hena Rabbani

Abstract:

Recently, cavity-optomechanics becomes an extensive research field that has manipulated the mechanical effects of light for coupling of the optical field with other physical objects specifically with regards to dynamical localization. We investigate the dynamical localization (both in momentum and position space) for a vibrational mirror in a Fabry-Pérot cavity driven by a single mode optical field and a transverse probe field. The weak probe field phenomenon results in classical chaos in phase space and spatio temporal dynamics in position |ψ(x)²| and momentum space |ψ(p)²| versus time show quantum localization in both momentum and position space. Also, we discuss the parametric dependencies of dynamical localization for a designated set of parameters to be experimentally feasible. Our work opens an avenue to manipulate the other optical phenomena and applicability of proposed work can be prolonged to turn-able laser sources in the future.

Keywords: Dynamical localization, cavity optomechanics, hamiltonian chaos, probe field.

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Authors: Yu-Kai Ting, Jia-Ying Tu, Chung-Chun Hsiao

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New physical insights into the nonlinear Lorenz equations related to flow resistance is discussed in this work. The chaotic dynamics related to Lorenz equations has been studied in many papers, which is due to the sensitivity of Lorenz equations to initial conditions and parameter uncertainties. However, the physical implication arising from Lorenz equations about convectional motion attracts little attention in the relevant literature. Therefore, as a first step to understand the related fluid mechanics of convectional motion, this paper derives the Lorenz equations again with different forced conditions in the model. Simulation work of the modified Lorenz equations without the viscosity or buoyancy force is discussed. The time-domain simulation results may imply that the states of the Lorenz equations are related to certain flow speed and flow resistance. The flow speed of the underlying fluid system increases as the flow resistance reduces. This observation would be helpful to analyze the coupling effects of different fluid parameters in a convectional model in future work.

Keywords: Galerkin method, Lorenz equations, Navier-Stokes equations.

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Authors: Cristian P. Topa, Esteban A. Valencia, Victor H. Hidalgo, Marco A. Martinez

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Wind tunnel experiments for aerodynamic profiles display numerous advantages, such as: clean steady laminar flow, controlled environmental conditions, streamlines visualization, and real data acquisition. However, the experiment instrumentation usually is expensive, and hence, each test implies a incremented in design cost. The aim of this work is to select and implement a low-cost static pressure data acquisition system for a NACA 2412 airfoil in an open cycle wind tunnel. This work compares wind tunnel experiment with Computational Fluid Dynamics (CFD) simulation and parametric analysis. The experiment was evaluated at Reynolds of 1.65 e⁵, with increasing angles from -5° to 15°. The comparison between the approaches show good enough accuracy, between the experiment and CFD, additional parametric analysis results differ widely from the other methods, which complies with the lack of accuracy of the lateral approach due its simplicity.

Keywords: Wind tunnel, low cost instrumentation, experimental testing, CFD simulation.

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Authors: Swapnil Singhal, Santosh Kumar Singh

Abstract:

The emerging Cognitive Radio is combo of both the technologies i.e. Radio dynamics and software technology. It involve wireless system with efficient coding, designing, and making them artificial intelligent to take the decision according to the surrounding environment and adopt themselves accordingly, so as to deliver the best QoS. This is the breakthrough from fixed hardware and fixed utilization of the spectrum. This software-defined approach of research is centralized at user-definition and application driven model, various software method are used for the optimization of the wireless communication. This paper focused on the Spectrum allocation technique using genetic algorithm GA to evolve radio, represented by chromosomes. The chromosomes gene represents the adjustable parameters in given radio and by using GA, evolving over the generations, the optimized set of parameters are evolved, as per the requirement of user and availability of the spectrum, in our prototype the gene consist of 6 different parameters, and the best set of parameters are evolved according to the application need and availability of the spectrum holes and thus maintaining best QoS for user, simultaneously maintaining licensed user rights. The analyzing tool Matlab is used for the performance of the prototype.

Keywords: ASDR, Cognitive Radio, QoS, Spectrum.

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Authors: Hakim T. Kadhim, Faris A. Jabbar, Aldo Rona, Audrius Bagdanaviciu

Abstract:

Computer-based optimization techniques can be employed to improve the efficiency of energy conversions processes, including reducing the aerodynamic loss in a thermal power plant turbomachine. In this paper, towards mitigating secondary flow losses, a design optimization workflow is implemented for the casing geometry of a 1.5 stage axial flow turbine that improves the turbine isentropic efficiency. The improved turbine is used in an open thermodynamic gas cycle with regeneration and cogeneration. Performance estimates are obtained by the commercial software Cycle – Tempo. Design and off design conditions are considered as well as variations in inlet air temperature. Reductions in both the natural gas specific fuel consumption and in CO₂ emissions are predicted by using the gas turbine cycle fitted with the new casing design. These gains are attractive towards enhancing the competitiveness and reducing the environmental impact of thermal power plant.

Keywords: Axial flow turbine, computational fluid dynamics, gas turbine power plant, optimization.

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Authors: Vasana M. Don, Eldad J. Avital, Fariborz Motallebi

Abstract:

Supersonic open and closed cavity flows are investigated experimentally and computationally. Free stream Mach number of two is set. Schlieren imaging is used to visualise the flow behaviour showing stark differences between open and closed. Computational Fluid Dynamics (CFD) is used to simulate open cavity of flow with aspect ratio of 4. A rear wall treatment is implemented in order to pursue a simple passive control approach. Good qualitative agreement is achieved between the experimental flow visualisation and the CFD in terms of the expansion-shock waves system. The cavity oscillations are shown to be dominated by the first and third Rossister modes combining to high fluctuations of non-linear nature above the cavity rear edge. A simple rear wall treatment in terms of a hole shows mixed effect on the flow oscillations, RMS contours, and time history density fluctuations are given and analysed.

Keywords: Supersonic, Schlieren, open-cavity, flow simulation, passive control.

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Authors: S. N. Ekbote, G. K. Padam, Manju Arora

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Electron spin resonance (ESR) spectroscopic investigations of (Bi, Pb)2Sr2Ca2Cu3O10-x (Bi-2223) bulk samples were carried out in both the normal and superconducting states. A broad asymmetric resonance signal with side signals is obtained in the normal state, and all of them disappear in the superconducting state. The temperature and angular orientation effects on these signals suggest that the broad asymmetric signal arises from electron spin resonance of conduction electrons (CESR) and the side signals from exchange interactions as Platzman-Wolff type spin waves. The disappearance of CESR and spin waves in a superconducting state demonstrates the role of exchange interactions in Cooper pair formation.

Keywords: Bi-2223 superconductor, electron spin resonance of conduction electrons, electron spin resonance, Exchange interactions, spin waves.

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Authors: Laima Silina, Ilze Gramatina, Lija Dukalska, Liga Skudra, Tatjana Rakcejeva, Dace Klava, Anita Blija

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The objective of the present study was to determine quality parameters changes of red wine marinade marinated venison during storage. Beef as a control was analysed. Protein, fat, moisture and pH content dynamics as well microbiological quality was analyzed. The meat pieces were marinated in red wine marinade at 4±2ºC temperature for 48±1h. Marinated meat was placed in polypropylene trays, hermetically sealed with high barrier polymer film Multibarrier 60 under modified atmosphere (CO₂ 40%+N₂ 60%) without and with oxygen absorber sachets, as a control packaging in air ambiance packed marinated venison and beef was used. Meat samples were analyzed after 0, 4, 7, 11 and 14 days of storage. During the storage of meat, protein and moisture content significantly (p<0.05) decreased, pH and colony forming units significantly (p<0.05) increased, fat content does not change in all treatments irrespective of the packaging method.

Keywords: Marinating, modified atmosphere, quality, venison.

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Authors: Bothinah Altaf, Gary Montague, Elaine B. Martin

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This study involves the modeling and monitoring of an ammonia synthesis fixed-bed reactor using partial least squares (PLS) and its variants. The process exhibits complex dynamic behavior due to the presence of heat recycling and feed quench. One limitation of static PLS model in this situation is that it does not take account of the process dynamics and hence dynamic PLS was used. Although it showed, superior performance to static PLS in terms of prediction, the monitoring scheme was inappropriate hence adaptive PLS was considered. A limitation of adaptive PLS is that non-conforming observations also contribute to the model, therefore, a new adaptive approach was developed, robust adaptive dynamic PLS. This approach updates a dynamic PLS model and is robust to non-representative data. The developed methodology showed a clear improvement over existing approaches in terms of the modeling of the reactor and the detection of faults.

Keywords: Ammonia synthesis fixed-bed reactor, dynamic partial least squares modeling, recursive partial least squares, robust modeling.

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Authors: Sean Paulsen, Michael Casey

Abstract:

In this work, we present a self-supervised pretraining framework for transformers on functional Magnetic Resonance Imaging (fMRI) data. First, we pretrain our architecture on two self-supervised tasks simultaneously to teach the model a general understanding of the temporal and spatial dynamics of human auditory cortex during music listening. Our pretraining results are the first to suggest a synergistic effect of multitask training on fMRI data. Second, we finetune the pretrained models and train additional fresh models on a supervised fMRI classification task. We observe significantly improved accuracy on held-out runs with the finetuned models, which demonstrates the ability of our pretraining tasks to facilitate transfer learning. This work contributes to the growing body of literature on transformer architectures for pretraining and transfer learning with fMRI data, and serves as a proof of concept for our pretraining tasks and multitask pretraining on fMRI data.

Keywords: Transfer learning, fMRI, self-supervised, brain decoding, transformer, multitask training.

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Authors: Ali Aqa Mohammad Jawad

Abstract:

Taking a relational approach, this paper analyzes the causal mechanisms associated with successful mobilization and rapid demobilization of the Enlightening Movement in post-2001 Afghanistan. The movement emerged after the state-owned Da Afghan Bereshna Sherkat (DABS) decided to divert the route for the Turkmenistan-Uzbekistan-Tajikistan-Afghanistan-Pakistan (TUTAP) electricity project. The grid was initially planned to go through the Hazara-inhabited province of Bamiyan, according to Afghanistan’s Power Sector Master Plan. The reroute served as an aide-mémoire of historical subordination to other ethno-religious groups for the Hazara community. It was also perceived as deprivation from post-2001 development projects, financed by international aid. This torched the accumulated grievances, which then gave birth to the Enlightening Movement. The movement had a successful mobilization. However, it demobilized after losing much of its mobilizing capabilities through an amalgamation of external and internal relational factors. The successful mobilization yet rapid demobilization constitutes the puzzle of this paper. From the theoretical perspective, this paper is significant as it establishes the applicability of contentious politics theory to protest mobilizations that occurred in Afghanistan, a context-specific, characterized by ethnic politics. Both primary and secondary data are utilized to address the puzzle. As for the primary resources, media coverage, interviews, reports, public media statements of the movement, involved in contentious performances, and data from Social Networking Services (SNS) are used. The covered period is from 2001-2018. As for the secondary resources, published academic articles and books are used to give a historical account of contentious politics. For data analysis, a qualitative comparative historical method is utilized to uncover the causal mechanisms associated with successful mobilization and rapid demobilization of the Movement. In this pursuit, both mobilization and demobilization are considered as larger political processes that could be decomposed to constituent mechanisms. Enlightening Movement’s framing and campaigns are first studied to uncover the associated mechanisms. Then, to avoid introducing some ad hoc mechanisms, the recurrence of mechanisms is checked against another case. Mechanisms qualify as robust if they are “recurrent” in different episodes of contention. Checking the recurrence of causal mechanisms is vital as past contentious events tend to reinforce future events. The findings of this paper suggest that the public sphere in Afghanistan is drastically different from Western democracies known as the birthplace of social movements. In Western democracies, when institutional politics did not respond, movement organizers occupied the public sphere, undermining the legitimacy of the government. In Afghanistan, the public sphere is ethicized. Considering the inter- and intra-relational dynamics of ethnic groups in Afghanistan, the movement reduced to an erosive inter- and intra-ethnic conflict. This undermined the cohesiveness of the movement, which then kicked-off its demobilization process.

Keywords: Enlightening movement, contentious politics, mobilization, demobilization.

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Authors: M. M. M. Salem, Ayman A. Aly

Abstract:

An active suspension system has been proposed to improve the ride comfort. A quarter-car 2 degree-of-freedom (DOF) system is designed and constructed on the basis of the concept of a four-wheel independent suspension to simulate the actions of an active vehicle suspension system. The purpose of a suspension system is to support the vehicle body and increase ride comfort. The aim of the work described in the paper was to illustrate the application of fuzzy logic technique to the control of a continuously damping automotive suspension system. The ride comfort is improved by means of the reduction of the body acceleration caused by the car body when road disturbances from smooth road and real road roughness. The paper describes also the model and controller used in the study and discusses the vehicle response results obtained from a range of road input simulations. In the conclusion, a comparison of active suspension fuzzy control and Proportional Integration derivative (PID) control is shown using MATLAB simulations.

Keywords: Fuzzy logic control, ride comfort, vehicle dynamics, active suspension system, quarter-car model.

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Authors: J. Dumrongsak, A. M. Savill

Abstract:

Non-premixed turbulent combustion Computational Fluid Dynamics (CFD) has been carried out in a simplified methanefuelled coaxial jet combustor employing Large Eddy Simulation (LES). The objective of this study is to evaluate the performance of LES in modelling non-premixed combustion using a commercial software, FLUENT, and investigate the effects of the grid density and chemistry models employed on the accuracy of the simulation results. A comparison has also been made between LES and Reynolds Averaged Navier-Stokes (RANS) predictions. For LES grid sensitivity test, 2.3 and 6.2 million cell grids are employed with the equilibrium model. The chemistry model sensitivity analysis is achieved by comparing the simulation results from the equilibrium chemistry and steady flamelet models. The predictions of the mixture fraction, axial velocity, species mass fraction and temperature by LES are in good agreement with the experimental data. The LES results are similar for the two chemistry models but influenced considerably by the grid resolution in the inner flame and near-wall regions.

Keywords: Coaxial jet, reacting LES, non-premixed combustion, turbulent flow.

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Authors: Leonardo Juan Ramírez López, Javier Oswaldo Rodriguez Velasquez

Abstract:

We have designed a Holter that measures the heart´s activity for over 24 hours, implemented a prediction methodology, and generate alarms as well as indicators to patients and treating physicians. Various diagnostic advances have been developed in clinical cardiology thanks to Holter implementation; however, their interpretation has largely been conditioned to clinical analysis and measurements adjusted to diverse population characteristics, thus turning it into a subjective examination. This, however, requires vast population studies to be validated that, in turn, have not achieved the ultimate goal: mortality prediction. Given this context, our Insight Research Group developed a mathematical methodology that assesses cardiac dynamics through entropy and probability, creating a numerical and geometrical attractor which allows quantifying the normalcy of chronic and acute disease as well as the evolution between such states, and our Tigum Research Group developed a holter device with 12 channels and advanced computer software. This has been shown in different contexts with 100% sensitivity and specificity results.

Keywords: Entropy, mathematical, prediction, cardiac, holter, attractor.

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Authors: Hyung T. Kwak, Jun Gao, Yao An, Alfred Kleinhammes, Yue Wu

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Surface wettability is a crucial factor in oil recovery. In oil industry, the rock wettability involves the interplay between water, oil, and solid surface. Therefore, studying the interplay between adsorptions of water and hydrocarbon molecules on solid surface would be very informative for understanding rock wettability. Here we use the in-situ Nuclear Magnetic Resonance (NMR) gas isotherm technique to study competitive adsorptions of water and isopropanol, an intermediate step from hydrocarbons. This in-situ NMR technique obtains information on thermodynamic properties such as the isotherm, molecular dynamics via spin relaxation measurements, and adsorption kinetics such as how fast the system can reach thermal equilibrium after changes of vapor pressures. Using surfaces of silica glass beads, which can be modified from hydrophilic to hydrophobic, we obtained information on the influence of surface hydrophilicity on the state of surface water via obtained thermodynamic and dynamic properties.

Keywords: Competitive adsorption, nuclear magnetic resonance, wettability.

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Authors: V. Karamzadeh, J. Adhvaryu, A. Chandrasekaran, M. Packirisamy

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In Bulk Acoustic Wave (BAW) microfluidics, the throughput of particle sorting is dependent on the complex interplay between the geometric configuration of the channel, the size of the particles, and the properties of the fluid medium, which therefore calls for a detailed modeling and understanding of the fluid-particle interaction dynamics under an acoustic field, prior to designing the system. In this work, we propose a simplified Bulk acoustophoretic system that can be used for size dependent particle sorting. A Finite Element Method (FEM) based analytical model has been developed to study the dependence of particle sizes on channel parameters, and the sorting efficiency in a given fluid medium. Based on the results, the microfluidic system has been designed to take into account all the variables involved with the underlying physics, and has been fabricated using an additive manufacturing technique employing a commercial 3D printer, to generate a simple, cost-effective system that can be used for size sensitive particle sorting.

Keywords: 3D printing, 3D microfluidic chip, acoustophoresis, cell separation, MEMS, microfluidics.

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Authors: N. Dumitru, S. Dumitru, C. Copilusi, N. Ploscaru

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On this research, experimental analyses have been performed in order to determine the oil pump mechanism dynamics and stability from an oil unit mechanical structure. The experimental tests were focused on the vibrations which occur inside of the rod element during functionality of the oil pump unit. The oil pump mechanism dynamic parameters were measured and also determined through numerical computations. Entire research is based on the oil pump unit mechanical system virtual prototyping. For a complete analysis of the mechanism, the frequency dynamic response was identified, mainly for the mechanism driven element, based on two methods: processing and virtual simulations with MSC Adams aid and experimental analysis. In fact, through this research, a complete methodology is presented where numerical simulations of a mechanism with deformed elements are developed on a dynamic mode and these can be correlated with experimental tests.

Keywords: Modal dynamic analysis, oil pump, vibrations, flexible elements, frequency response.

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Authors: G. Santamato, M. Solazzi, A. Frisoli

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Systems for detection of damages in railway pantographs effectively reduce the cost of maintenance and improve time scheduling. In this paper, we present an approach to design a monitoring tool fitting strong customer requirements such as portability and ease of use. Pantograph has been modeled to estimate its dynamical properties, since no data are available. With the aim to focus on suspensions health, a two Degrees of Freedom (DOF) scheme has been adopted. Parameters have been calculated by means of analytical dynamics. A Finite Element Method (FEM) modal analysis verified the former model with an acceptable error. The detection strategy seeks phase-plots topology alteration, induced by defects. In order to test the suitability of the method, leakage in the dashpot was simulated on the lumped model. Results are interesting because changes in phase plots are more appreciable than frequency-shift. Further calculations as well as experimental tests will support future developments of this smart strategy.

Keywords: Pantograph models, phase-plots, structural health monitoring, vibration-based condition monitoring.

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Authors: Seong-Su Jeon, Seong-Jin Kim, Goon-Cherl Park

Abstract:

In this study, direct numerical simulation for the bubble condensation in the subcooled boiling flow was performed. The main goal was to develop the CFD modeling for the bubble condensation and to evaluate the accuracy of the VOF model with the developed CFD modeling. CFD modeling for the bubble condensation was developed by modeling the source terms in the governing equations of VOF model using UDF. In the modeling, the amount of condensation was determined using the interfacial heat transfer coefficient obtained from the bubble velocity, liquid temperature and bubble diameter every time step. To evaluate the VOF model using the CFD modeling for the bubble condensation, CFD simulation results were compared with SNU experimental results such as bubble volume and shape, interfacial area, bubble diameter and bubble velocity. Simulation results predicted well the behavior of the actual condensing bubble. Therefore, it can be concluded that the VOF model using the CFD modeling for the bubble condensation will be a useful computational fluid dynamics tool for analyzing the behavior of the condensing bubble in a wide range of the subcooled boiling flow.

Keywords: Bubble condensation, CFD modeling, Subcooled boiling flow, VOF model.

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Authors: Eugene Grichuk, Margarita Kuzmina, Eduard Manykin

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A network of coupled stochastic oscillators is proposed for modeling of a cluster of entangled qubits that is exploited as a computation resource in one-way quantum computation schemes. A qubit model has been designed as a stochastic oscillator formed by a pair of coupled limit cycle oscillators with chaotically modulated limit cycle radii and frequencies. The qubit simulates the behavior of electric field of polarized light beam and adequately imitates the states of two-level quantum system. A cluster of entangled qubits can be associated with a beam of polarized light, light polarization degree being directly related to cluster entanglement degree. Oscillatory network, imitating qubit cluster, is designed, and system of equations for network dynamics has been written. The constructions of one-qubit gates are suggested. Changing of cluster entanglement degree caused by measurements can be exactly calculated.

Keywords: network of stochastic oscillators, one-way quantumcomputations, a beam of polarized light.

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Authors: W. P. Hu, J. V. Kumar, Jeffrey J. P. Tsai

Abstract:

The inhibition of SH2 domain regulated protein-protein interactions is an attractive target for developing an effective chemotherapeutic approach in the treatment of disease. Molecular simulation is a useful tool for developing new drugs and for studying molecular recognition. In this study, we searched potential drug compounds for the inhibition of SH2 domain by performing structural similarity search in PubChem Compound Database. A total of 37 compounds were screened from the database, and then we used the LibDock docking program to evaluate the inhibition effect. The best three compounds (AP22408, CID 71463546 and CID 9917321) were chosen for MD simulations after the LibDock docking. Our results show that the compound CID 9917321 can produce a more stable protein-ligand complex compared to other two currently known inhibitors of Src SH2 domain. The compound CID 9917321 may be useful for the inhibition of SH2 domain based on these computational results. Subsequently experiments are needed to verify the effect of compound CID 9917321 on the SH2 domain in the future studies.

Keywords: Nonpeptide inhibitor, Src SH2 domain, LibDock, molecular dynamics simulation.

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Authors: Ajoy Kumar Das, Prasenjit Dey

Abstract:

Heat transfer due to forced convection of copper water based nanofluid has been predicted by Artificial Neural network (ANN). The present nanofluid is formed by mixing copper nanoparticles in water and the volume fractions are considered here are 0% to 15% and the Reynolds number are kept constant at 100. The back propagation algorithm is used to train the network. The present ANN is trained by the input and output data which has been obtained from the numerical simulation, performed in finite volume based Computational Fluid Dynamics (CFD) commercial software Ansys Fluent. The numerical simulation based results are compared with the back propagation based ANN results. It is found that the forced convection heat transfer of water based nanofluid can be predicted correctly by ANN. It is also observed that the back propagation ANN can predict the heat transfer characteristics of nanofluid very quickly compared to standard CFD method.

Keywords: Forced convection, Square cylinder, nanofluid, neural network.

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Authors: Jacques J. Scheepers, Edison Muzenda

Abstract:

This work focused on the interactions which occur between ester solvents and alcohol solutes. The alcohols selected ranged from the simplest alcohol (methanol) to C10-alcohols, and solubility predictions in the form of infinite dilution activity coefficients were made using the Modified UNIFAC Dortmund group contribution model. The model computation was set up on a Microsoft Excel spreadsheet specifically designed for this purpose. It was found that alcohol/ ester interactions yielded an increase in activity coefficients (i.e. became less soluble) with an increase in the size of the ester solvent molecule. Furthermore, activity coefficients decreased with an increase in the size of the alcohol solute. The activity coefficients also decreased with an increase in the degree of unsaturation of the ester hydrocarbon tail. Tertiary alcohols yielded lower activity coefficients than primary alcohols. Finally, cyclic alcohols yielded higher activity coefficients than straight-chain alcohols until a point is reached where the trend is reversed, referred to as the ‘crossover’ point.

Keywords: Activity coefficients, alcohols, esters, solubility, van der Waals, UNIFAC.

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