Search results for: dissolution dynamics
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3189

Search results for: dissolution dynamics

2859 Mathematical Properties of the Viscous Rotating Stratified Fluid Counting with Salinity and Heat Transfer in a Layer

Authors: A. Giniatoulline

Abstract:

A model of the mathematical fluid dynamics which describes the motion of a three-dimensional viscous rotating fluid in a homogeneous gravitational field with the consideration of the salinity and heat transfer is considered in a vertical finite layer. The model is a generalization of the linearized Navier-Stokes system with the addition of the Coriolis parameter and the equations for changeable density, salinity, and heat transfer. An explicit solution is constructed and the proof of the existence and uniqueness theorems is given. The localization and the structure of the spectrum of inner waves is also investigated. The results may be used, in particular, for constructing stable numerical algorithms for solutions of the considered models of fluid dynamics of the Atmosphere and the Ocean.

Keywords: Fourier transform, generalized solutions, Navier-Stokes equations, stratified fluid

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2858 Coupled Analysis with Fluid and Flexible Multibody Dynamics of 6-DOF Platform with Liquid Sloshing Tank

Authors: Sung-Pill Kim, Dae-Gyu Sung, Hee-Sung Shin, Jong-Chun Park

Abstract:

When a sloshing tank filled partially with liquid is excited with the motion of platform, it can be observed that the center of mass inside the tank is changed and impact loads is instantaneously applied to the wall, which causes dynamic loads additionally to the supporting links of platform. In this case, therefore, the dynamic behavior of platform associated with fluid motion should be considered in the early stage of design for safety and economics of the system. In this paper, the dynamic loads due to liquid sloshing motion in a rectangular tank which is loaded up on the upper deck of a Stewart platform are simulated using a coupled analysis of Moving Particle Simulation (MPS) and Flexible Multi-Body Dynamics (FMBD). The co-simulation is performed using two commercial softwares, Recurdyn for solving FMBD and Particleworks for analyzing fluid motion based on MPS method. For validating the present coupled system, a rectangular sloshing tank being enforced with inline sway motion by 1-DOF motion platform is assumed, and time-varied free-surface elevation and reaction force at a fixed joint are compared with experiments.

Keywords: dynamic loads, liquid sloshing tank, Stewart platform, moving particle semi-implicit (MPS) method, flexible multi-body dynamics (FMBD)

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2857 A Model for Analyzing the Startup Dynamics of a Belt Transmission Driven by a DC Motor

Authors: Giovanni Incerti

Abstract:

In this paper the dynamic behavior of a synchronous belt drive during start-up is analyzed and discussed. Besides considering the belt elasticity, the mathematical model here proposed also takes into consideration the electrical behaviour of the DC motor. The solution of the motion equations is obtained by means of the modal analysis in state space, which allows to obtain the decoupling of all equations of the mathematical model without introducing the hypothesis of proportional damping. The mathematical model of the transmission and the solution algorithms have been implemented within a computing software that allows the user to simulate the dynamics of the system and to evaluate the effects due to the elasticity of the belt branches and to the electromagnetic behavior of the DC motor. In order to show the details of the calculation procedure, the paper presents a case study developed with the aid of the abovementioned software.

Keywords: belt drive, vibrations, startup, DC motor

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2856 Molecular Dynamics Analysis onI mpact Behaviour of Carbon Nanotubes and Graphene Sheets

Authors: Sajjad Seifoori

Abstract:

Impact behavior of striker on graphene sheet and carbon nanotube is investigated based on molecular dynamics (MD) simulations. A MD simulation is conducted to obtain the maximum dynamic deflections of a square and rectangular single-layered graphene sheets (SLGSs) with various values of side-length and striker parameter. Effect of (i) chirality, (ii) graphene side-length and nanotube length, (iii) striker mass on the maximum dynamic deflections of graphene and nanotube are investigated. The effect of different types of boundary condition on the maximum dynamic deflections is studied for zigzag and armchair SWCNTs with various aspect ratios (Length/Diameter).

Keywords: impact, molecular dynamic, graphene, spring mass

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2855 Formulation of Extended-Release Ranolazine Tablet and Investigation Its Stability in the Accelerated Stability Condition at 40⁰C and 75% Humidity

Authors: Farzad Khajavi, Farzaneh Jalilfar, Faranak Jafari, Leila Shokrani

Abstract:

Formulation of Ranolazine in the form of extended-release tablet in 500 mg dosage form was performed using Eudragit L100-55 as a retarding agent. Drug-release profiles were investigated in comparison with the reference Ranexa extended-release 500 mg tablet. F₂ and f₁ were calculated as 64.16 and 8.53, respectively. According to Peppas equation, the release of drug is controlled by diffusion (n=0.5). The tablets were put into accelerated stability conditions (40 °C, 75% humidity) for 3 and 6 months. The dissolution release profiles and other physical and chemical characteristics of the tablets confirmed the robustness and stability of formulation in this condition.

Keywords: drug release, extended-release tablet, ranolazine, stability

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2854 Computational Agent-Based Approach for Addressing the Consequences of Releasing Gene Drive Mosquito to Control Malaria

Authors: Imran Hashmi, Sipkaduwa Arachchige Sashika Sureni Wickramasooriya

Abstract:

Gene-drive technology has emerged as a promising tool for disease control by influencing the population dynamics of disease-carrying organisms. Various gene drive mechanisms, derived from global laboratory experiments, aim to strategically manage and prevent the spread of targeted diseases. One prominent strategy involves population replacement, wherein genetically modified mosquitoes are introduced to replace the existing local wild population. To enhance our understanding and aid in the design of effective release strategies, we employ a comprehensive mathematical model. The utilized approach employs agent-based modeling, enabling the consideration of individual mosquito attributes and flexibility in parameter manipulation. Through the integration of an agent-based model and a meta-population spatial approach, the dynamics of gene drive mosquito spreading in a released site are simulated. The model's outcomes offer valuable insights into future population dynamics, providing guidance for the development of informed release strategies. This research significantly contributes to the ongoing discourse on the responsible and effective implementation of gene drive technology for disease vector control.

Keywords: gene drive, agent-based modeling, disease-carrying organisms, malaria

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2853 Cavitating Flow through a Venturi Using Computational Fluid Dynamics

Authors: Imane Benghalia, Mohammed Zamoum, Rachid Boucetta

Abstract:

Hydrodynamic cavitation is a complex physical phenomenon that appears in hydraulic systems (pumps, turbines, valves, Venturi tubes, etc.) when the fluid pressure decreases below the saturated vapor pressure. The works carried out in this study aimed to get a better understanding of the cavitating flow phenomena. For this, we have numerically studied a cavitating bubbly flow through a Venturi nozzle. The cavitation model is selected and solved using a commercial computational fluid dynamics (CFD) code. The obtained results show the effect of the inlet pressure (10, 7, 5, and 2 bars) of the Venturi on pressure, the velocity of the fluid flow, and the vapor fraction. We found that the inlet pressure of the Venturi strongly affects the evolution of the pressure, velocity, and vapor fraction formation in the cavitating flow.

Keywords: cavitating flow, CFD, phase change, venturi

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2852 Foresight in Food Supply System in Bogota

Authors: Suarez-Puello Alejandro, Baquero-Ruiz Andrés F, Suarez-Puello Rodrigo

Abstract:

This paper discusses the results of a foresight exercise which analyzes Bogota’s fruit, vegetable and tuber supply chain strategy- described at the Food Supply and Security Master Plan (FSSMP)-to provide the inhabitants of Bogotá, Colombia, with basic food products at a fair price. The methodology consisted of using quantitative and qualitative foresight tools such as system dynamics and variable selection methods to better represent interactions among stakeholders and obtain more integral results that could shed light on this complex situation. At first, the Master Plan is an input to establish the objectives and scope of the exercise. Then, stakeholders and their relationships are identified. Later, system dynamics is used to model product, information and money flow along the fruit, vegetable and tuber supply chain. Two scenarios are presented, discussing actions by the public sector and the reactions that could be expected from the whole food supply system. Finally, these impacts are compared to the Food Supply and Security Master Plan’s objectives suggesting recommendations that could improve its execution. This foresight exercise performed at a governmental level is intended to promote the widen the use of foresight as an anticipatory, decision-making tool that offers solutions to complex problems.

Keywords: decision making, foresight, public policies, supply chain, system dynamics

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2851 Dynamics Analyses of Swing Structure Subject to Rotational Forces

Authors: Buntheng Chhorn, WooYoung Jung

Abstract:

Large-scale swing has been used in entertainment and performance, especially in circus, for a very long time. To increase the safety of this type of structure, a thorough analysis for displacement and bearing stress was performed for an extreme condition where a full cycle swing occurs. Different masses, ranging from 40 kg to 220 kg, and velocities were applied on the swing. Then, based on the solution of differential dynamics equation, swing velocity response to harmonic force was obtained. Moreover, the resistance capacity was estimated based on ACI steel structure design guide. Subsequently, numerical analysis was performed in ABAQUS to obtain the stress on each frame of the swing. Finally, the analysis shows that the expansion of swing structure frame section was required for mass bigger than 150kg.

Keywords: swing structure, displacement, bearing stress, dynamic loads response, finite element analysis

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2850 New Approach to Interactional Dynamics of E-mail Correspondence

Authors: Olga Karamalak

Abstract:

The paper demonstrates a research about theoretical understanding of writing in the electronic environment as dynamic, interactive, dialogical, and distributed activity aimed at “other-orientation” and consensual domain creation. The purpose is to analyze the personal e-mail correspondence in the academic environment from this perspective. The focus is made on the dynamics of interaction between the correspondents such as contact setting, orientation and co-functions; and the text of an e-letter is regarded as indices of the write’s state or affordances in terms of ecological linguistics. The establishment of consensual domain of interaction brings about a new stage of cognition emergence which may lead to distributed learning. The research can play an important part in the series of works dedicated to writing in the electronic environment.

Keywords: consensual domain of interactions, distributed writing and learning, e-mail correspondence, interaction, orientation, co-function

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2849 The Impact of Missense Mutation in Phosphatidylinositol Glycan Class A Associated to Paroxysmal Nocturnal Hemoglobinuria and Multiple Congenital Anomalies-Hypotonia-Seizures Syndrome 2: A Computational Study

Authors: Ashish Kumar Agrahari, Amit Kumar

Abstract:

Paroxysmal nocturnal hemoglobinuria (PNH) is an acquired clonal blood disorder that manifests with hemolytic anemia, thrombosis, and peripheral blood cytopenias. The disease is caused by the deficiency of two glycosylphosphatidylinositols (GPI)-anchored proteins (CD55 and CD59) in the hemopoietic stem cells. The deficiency of GPI-anchored proteins has been associated with the somatic mutations in phosphatidylinositol glycan class A (PIGA). However, the mutations that do not cause PNH is associated with the multiple congenital anomalies-hypotonia-seizures syndrome 2 (MCAHS2). To best of our knowledge, no computational study has been performed to explore the atomistic level impact of PIGA mutations on the structure and dynamics of the protein. In the current work, we are mainly interested to get insights into the molecular mechanism of PIGA mutations. In the initial step, we screened the most pathogenic mutations from the pool of publicly available mutations. Further, to get a better understanding, pathogenic mutations were mapped to the modeled structure and subjected to 50ns molecular dynamics simulation. Our computational study suggests that four mutations are highly vulnerable to altering the structural conformation and stability of the PIGA protein, which illustrates its association with PNH and MCAHS2 phenotype.

Keywords: homology modeling, molecular dynamics simulation, missense mutations PNH, MCAHS2, PIGA

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2848 A Review Of Blended Wing Body And Slender Delta Wing Performance Utilizing Experimental Techniques And Computational Fluid Dynamics

Authors: Abhiyan Paudel, Maheshwaran M Pillai

Abstract:

This paper deals with the optimization and comparison of slender delta wing and blended wing body. The objective is to study the difference between the two wing types and analyze the various aerodynamic characteristics of both of these types.The blended-wing body is an aircraft configuration that has the potential to be more efficient than conventional large transport aircraft configurations with the same capability. The purported advantages of the BWB approach are efficient high-lift wings and a wide airfoil-shaped body. Similarly, symmetric separation vortices over slender delta wing may become asymmetric as the angle of attack is increased beyond a certain value, causing asymmetric forces even at symmetric flight conditions. The transition of the vortex pattern from being symmetric to asymmetric over symmetric bodies under symmetric flow conditions is a fascinating fluid dynamics problem and of major importance for the performance and control of high-maneuverability flight vehicles that favor the use of slender bodies. With the use of Star CCM, we analyze both the fluid properties. The CL, CD and CM were investigated in steady state CFD of BWB at Mach 0.3 and through wind tunnel experiments on 1/6th model of BWB at Mach 0.1. From CFD analysis pressure variation, Mach number contours and turbulence area was observed.

Keywords: Coefficient of Lift, Coefficient of Drag, CFD=Computational Fluid Dynamics, BWB=Blended Wing Body, slender delta wing

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2847 Transition Dynamic Analysis of the Urban Disparity in Iran “Case Study: Iran Provinces Center”

Authors: Marzieh Ahmadi, Ruhullah Alikhan Gorgani

Abstract:

The usual methods of measuring regional inequalities can not reflect the internal changes of the country in terms of their displacement in different development groups, and the indicators of inequalities are not effective in demonstrating the dynamics of the distribution of inequality. For this purpose, this paper examines the dynamics of the urban inertial transport in the country during the period of 2006-2016 using the CIRD multidimensional index and stochastic kernel density method. it firstly selects 25 indicators in five dimensions including macroeconomic conditions, science and innovation, environmental sustainability, human capital and public facilities, and two-stage Principal Component Analysis methodology are developed to create a composite index of inequality. Then, in the second stage, using a nonparametric analytical approach to internal distribution dynamics and a stochastic kernel density method, the convergence hypothesis of the CIRD index of the Iranian provinces center is tested, and then, based on the ergodic density, long-run equilibrium is shown. Also, at this stage, for the purpose of adopting accurate regional policies, the distribution dynamics and process of convergence or divergence of the Iranian provinces for each of the five. According to the results of the first Stage, in 2006 & 2016, the highest level of development is related to Tehran and zahedan is at the lowest level of development. The results show that the central cities of the country are at the highest level of development due to the effects of Tehran's knowledge spillover and the country's lower cities are at the lowest level of development. The main reason for this may be the lack of access to markets in the border provinces. Based on the results of the second stage, which examines the dynamics of regional inequality transmission in the country during 2006-2016, the first year (2006) is not multifaceted and according to the kernel density graph, the CIRD index of about 70% of the cities. The value is between -1.1 and -0.1. The rest of the sequence on the right is distributed at a level higher than -0.1. In the kernel distribution, a convergence process is observed and the graph points to a single peak. Tends to be a small peak at about 3 but the main peak at about-0.6. According to the chart in the final year (2016), the multidimensional pattern remains and there is no mobility in the lower level groups, but at the higher level, the CIRD index accounts for about 45% of the provinces at about -0.4 Take it. That this year clearly faces the twin density pattern, which indicates that the cities tend to be closely related to each other in terms of development, so that the cities are low in terms of development. Also, according to the distribution dynamics results, the provinces of Iran follow the single-density density pattern in 2006 and the double-peak density pattern in 2016 at low and moderate inequality index levels and also in the development index. The country diverges during the years 2006 to 2016.

Keywords: Urban Disparity, CIRD Index, Convergence, Distribution Dynamics, Random Kernel Density

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2846 Assessing Transition to Renewable Energy for Transportation in Indonesia through Drop-in Biofuel Utilization

Authors: Maslan Lamria, Ralph E. H. Sims, Tatang H. Soerawidjaja

Abstract:

In increasing its self-sufficiency on transportation fuel, Indonesia is currently developing commercial production and use of drop-in biofuel (DBF) from vegetable oil. To maximize the level of success, it is necessary to get insights on how the implementation would develop as well as any important factors. This study assessed the dynamics of transition from existing fossil fuel system to a renewable fuel system, which involves the transition from existing biodiesel to projected DBF. A systems dynamics approach was applied and a model developed to simulate the dynamics of liquid biofuel transition. The use of palm oil feedstock was taken as a case study to assess the projected DBF implementation by 2045. The set of model indicators include liquid fuel self-sufficiency, liquid biofuel share, foreign exchange savings and green-house gas emissions reduction. The model outputs showed that supports on DBF investment and use play an important role in the transition progress. Given assumptions which include application of a maximum level of supports over time, liquid fuel self-sufficiency would be still unfulfilled in which palm biofuel contribution is 0.2. Thus, other types of feedstock such as algae and oil feedstock from marginal lands need to be developed synergically. Regarding support on DBF use, this study recommended that removal of fossil subsidy would be necessary prior to applying a carbon tax policy effectively.

Keywords: biofuel, drop-in biofuel, energy transition, liquid fuel

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2845 Synthesis Characterisation and Evaluation of Co-Processed Wax Matrix Excipient for Controlled Release Tablets Formulation

Authors: M. Kalyan Raj, Vinay Umesh Rao, M. Sudhakar

Abstract:

The work focuses on the development of a directly compressible controlled release co-processed excipient using melt granulation technique. Erodible wax matrix systems are fabricated in which three different types of waxes are co processed separately with Maize starch in different ratios by melt granulation. The resultant free flowing powder is characterized by FTIR, NMR, Mass spectrophotometer and gel permeation chromatography. Also, controlled release tablets of Aripiprazole were formulated and dissolution profile was compared with that of the target product profile given in Zysis patent (Patent no. 20100004262) for Aripiprazole once a week formulation.

Keywords: co-processing, hot melt extrusion, direct compression, maize starch, stearic acid, aripiprazole

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2844 A Phase Change Materials Thermal Storage for Ground-Source Heat Pumps: Computational Fluid Dynamics Analysis of Innovative Layouts

Authors: Emanuele Bonamente, Andrea Aquino, Franco Cotana

Abstract:

The exploitation of the low-temperature geothermal resource via ground-source heat pumps is often limited by the high investment cost mainly due to borehole drilling. From the monitoring of a prototypal system currently used by a commercial building, it was found that a simple upgrade of the conventional layout, obtained including a thermal storage between the ground-source heat exchangers and the heat pump, can optimize the ground energy exploitation requiring for shorter/fewer boreholes. For typical applications, a reduction of up to 66% with respect to the conventional layout can be easily achieved. Results from the monitoring campaign of the prototype are presented in this paper, and upgrades of the thermal storage using phase change materials (PCMs) are proposed using computational fluid dynamics simulations. The PCM thermal storage guarantees an improvement of the system coefficient of performance both for summer cooling and winter heating (up to 25%). A drastic reduction of the storage volume (approx. 1/10 of the original size) is also achieved, making it possible to easily place it within the technical room, avoiding extra costs for underground displacement. A preliminary optimization of the PCM geometry is finally proposed.

Keywords: computational fluid dynamics (CFD), geothermal energy, ground-source heat pumps, phase change materials (PCM)

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2843 Neuron Efficiency in Fluid Dynamics and Prediction of Groundwater Reservoirs'' Properties Using Pattern Recognition

Authors: J. K. Adedeji, S. T. Ijatuyi

Abstract:

The application of neural network using pattern recognition to study the fluid dynamics and predict the groundwater reservoirs properties has been used in this research. The essential of geophysical survey using the manual methods has failed in basement environment, hence the need for an intelligent computing such as predicted from neural network is inevitable. A non-linear neural network with an XOR (exclusive OR) output of 8-bits configuration has been used in this research to predict the nature of groundwater reservoirs and fluid dynamics of a typical basement crystalline rock. The control variables are the apparent resistivity of weathered layer (p1), fractured layer (p2), and the depth (h), while the dependent variable is the flow parameter (F=λ). The algorithm that was used in training the neural network is the back-propagation coded in C++ language with 300 epoch runs. The neural network was very intelligent to map out the flow channels and detect how they behave to form viable storage within the strata. The neural network model showed that an important variable gr (gravitational resistance) can be deduced from the elevation and apparent resistivity pa. The model results from SPSS showed that the coefficients, a, b and c are statistically significant with reduced standard error at 5%.

Keywords: gravitational resistance, neural network, non-linear, pattern recognition

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2842 Experiments to Study the Vapor Bubble Dynamics in Nucleate Pool Boiling

Authors: Parul Goel, Jyeshtharaj B. Joshi, Arun K. Nayak

Abstract:

Nucleate boiling is characterized by the nucleation, growth and departure of the tiny individual vapor bubbles that originate in the cavities or imperfections present in the heating surface. It finds a wide range of applications, e.g. in heat exchangers or steam generators, core cooling in power reactors or rockets, cooling of electronic circuits, owing to its highly efficient transfer of large amount of heat flux over small temperature differences. Hence, it is important to be able to predict the rate of heat transfer and the safety limit heat flux (critical heat flux, heat flux higher than this can lead to damage of the heating surface) applicable for any given system. A large number of experimental and analytical works exist in the literature, and are based on the idea that the knowledge of the bubble dynamics on the microscopic scale can lead to the understanding of the full picture of the boiling heat transfer. However, the existing data in the literature are scattered over various sets of conditions and often in disagreement with each other. The correlations obtained from such data are also limited to the range of conditions they were established for and no single correlation is applicable over a wide range of parameters. More recently, a number of researchers have been trying to remove empiricism in the heat transfer models to arrive at more phenomenological models using extensive numerical simulations; these models require state-of-the-art experimental data for a wide range of conditions, first for input and later, for their validation. With this idea in mind, experiments with sub-cooled and saturated demineralized water have been carried out under atmospheric pressure to study the bubble dynamics- growth rate, departure size and frequencies for nucleate pool boiling. A number of heating elements have been used to study the dependence of vapor bubble dynamics on the heater surface finish and heater geometry along with the experimental conditions like the degree of sub-cooling, super heat and the heat flux. An attempt has been made to compare the data obtained with the existing data and the correlations in the literature to generate an exhaustive database for the pool boiling conditions.

Keywords: experiment, boiling, bubbles, bubble dynamics, pool boiling

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2841 A Mathematical Model for Studying Landing Dynamics of a Typical Lunar Soft Lander

Authors: Johns Paul, Santhosh J. Nalluveettil, P. Purushothaman, M. Premdas

Abstract:

Lunar landing is one of the most critical phases of lunar mission. The lander is provided with a soft landing system to prevent structural damage of lunar module by absorbing the landing shock and also assure stability during landing. Presently available software are not capable to simulate the rigid body dynamics coupled with contact simulation and elastic/plastic deformation analysis. Hence a separate mathematical model has been generated for studying the dynamics of a typical lunar soft lander. Parameters used in the analysis includes lunar surface slope, coefficient of friction, initial touchdown velocity (vertical and horizontal), mass and moment of inertia of lander, crushing force due to energy absorbing material in the legs, number of legs and geometry of lander. The mathematical model is capable to simulate plastic and elastic deformation of honey comb, frictional force between landing leg and lunar soil, surface contact simulation, lunar gravitational force, rigid body dynamics and linkage dynamics of inverted tripod landing gear. The non linear differential equations generated for studying the dynamics of lunar lander is solved by numerical method. Matlab programme has been used as a computer tool for solving the numerical equations. The position of each kinematic joint is defined by mathematical equations for the generation of equation of motion. All hinged locations are defined by position vectors with respect to body fixed coordinate. The vehicle rigid body rotations and motions about body coordinate are only due to the external forces and moments arise from footpad reaction force due to impact, footpad frictional force and weight of vehicle. All these force are mathematically simulated for the generation of equation of motion. The validation of mathematical model is done by two different phases. First phase is the validation of plastic deformation of crushable elements by employing conservation of energy principle. The second phase is the validation of rigid body dynamics of model by simulating a lander model in ADAMS software after replacing the crushable elements to elastic spring element. Simulation of plastic deformation along with rigid body dynamics and contact force cannot be modeled in ADAMS. Hence plastic element of primary strut is replaced with a spring element and analysis is carried out in ADAMS software. The same analysis is also carried out using the mathematical model where the simulation of honeycomb crushing is replaced by elastic spring deformation and compared the results with ADAMS analysis. The rotational motion of linkages and 6 degree of freedom motion of lunar Lander about its CG can be validated by ADAMS software by replacing crushing element to spring element. The model is also validated by the drop test results of 4 leg lunar lander. This paper presents the details of mathematical model generated and its validation.

Keywords: honeycomb, landing leg tripod, lunar lander, primary link, secondary link

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2840 Molecular Interactions Driving RNA Binding to hnRNPA1 Implicated in Neurodegeneration

Authors: Sakina Fatima, Joseph-Patrick W. E. Clarke, Patricia A. Thibault, Subha Kalyaanamoorthy, Michael Levin, Aravindhan Ganesan

Abstract:

Heteronuclear ribonucleoprotein (hnRNPA1 or A1) is associated with the pathology of different diseases, including neurological disorders and cancers. In particular, the aggregation and dysfunction of A1 have been identified as a critical driver for neurodegeneration (NDG) in Multiple Sclerosis (MS). Structurally, A1 includes a low-complexity domain (LCD) and two RNA-recognition motifs (RRMs), and their interdomain coordination may play a crucial role in A1 aggregation. Previous studies propose that RNA-inhibitors or nucleoside analogs that bind to RRMs can potentially prevent A1 self-association. Therefore, molecular-level understanding of the structures, dynamics, and nucleotide interactions with A1 RRMs can be useful for developing therapeutics for NDG in MS. In this work, a combination of computational modelling and biochemical experiments were employed to analyze a set of RNA-A1 RRM complexes. Initially, the atomistic models of RNA-RRM complexes were constructed by modifying known crystal structures (e.g., PDBs: 4YOE and 5MPG), and through molecular docking calculations. The complexes were optimized using molecular dynamics simulations (200-400 ns), and their binding free energies were computed. The binding affinities of the selected complexes were validated using a thermal shift assay. Further, the most important molecular interactions that contributed to the overall stability of the RNA-A1 RRM complexes were deduced. The results highlight that adenine and guanine are the most suitable nucleotides for high-affinity binding with A1. These insights will be useful in the rational design of nucleotide-analogs for targeting A1 RRMs.

Keywords: hnRNPA1, molecular docking, molecular dynamics, RNA-binding proteins

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2839 Study of the Microstructural Evolution and Precipitation Kinetic in AZ91 Alloys

Authors: A. Azizi, M. Toubane, L. Chetibi

Abstract:

Differential scanning calorimetry (DSC) is a widely used technique for the study of phase transformations, particularly in the study of precipitation. The kinetic of the precipitation and dissolution is always related to the concept of activation energy Ea. The determination of the activation energy gives important information about the kinetic of the precipitation reaction. In this work, we were interested in the study of the isothermal and non-isothermal treatments on the decomposition of the supersaturated solid solution in the alloy AZ91 (Mg-9 Al-Zn 1-0.2 Mn. mass fraction %), using Differential Calorimetric method. Through this method, the samples were heat treated up to 425° C, using different rates. To calculate the apparent activation energies associated with the formation of precipitated phases, we used different isoconversional methods. This study was supported by other analysis: X-ray diffraction and microhardness measurements.

Keywords: calorimetric, activation energy, AZ91 alloys, microstructural evolution

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2838 Control of Spherical Robot with Sliding Mode

Authors: Roya Khajepour, Alireza B. Novinzadeh

Abstract:

A major issue with spherical robot is it surface shape, which is not always predictable. This means that given only the dynamic model of the robot, it is not possible to control the robot. Due to the fact that in certain conditions it is not possible to measure surface friction, control methods must be prepared for these conditions. Moreover, although spherical robot never becomes unstable or topples thanks to its special shape, since it moves by rolling it has a non-holonomic constraint at point of contact and therefore it is considered a non-holonomic system. Existence of such a point leads to complexity and non-linearity of robot's kinematic equations and makes the control problem difficult. Due to the non-linear dynamics and presence of uncertainty, the sliding-mode control is employed. The proposed method is based on Lyapunov Theory and guarantees system stability. This controller is insusceptible to external disturbances and un-modeled dynamics.

Keywords: sliding mode, spherical robot, non-holomonic constraint, system stability

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2837 Leveraging Artificial Intelligence to Analyze the Interplay between Social Vulnerability Index and Mobility Dynamics in Pandemics

Authors: Joshua Harrell, Gideon Osei Bonsu, Susan Garza, Clarence Conner, Da’Neisha Harris, Emma Bukoswki, Zohreh Safari

Abstract:

The Social Vulnerability Index (SVI) stands as a pivotal tool for gauging community resilience amidst diverse stressors, including pandemics like COVID-19. This paper synthesizes recent research and underscores the significance of SVI in elucidating the differential impacts of crises on communities. Drawing on studies by Fox et al. (2023) and Mah et al. (2023), we delve into the application of SVI alongside emerging data sources to uncover nuanced insights into community vulnerability. Specifically, we explore the utilization of SVI in conjunction with mobility data from platforms like SafeGraph to probe the intricate relationship between social vulnerability and mobility dynamics during the COVID-19 pandemic. By leveraging 16 community variables derived from the American Community Survey, including socioeconomic status and demographic characteristics, SVI offers actionable intelligence for guiding targeted interventions and resource allocation. Building upon recent advancements, this paper contributes to the discourse on harnessing AI techniques to mitigate health disparities and fortify public health resilience in the face of pandemics and other crises.

Keywords: social vulnerability index, mobility dynamics, data analytics, health equity, pandemic preparedness, targeted interventions, data integration

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2836 A System Dynamics Approach to Technological Learning Impact for Cost Estimation of Solar Photovoltaics

Authors: Rong Wang, Sandra Hasanefendic, Elizabeth von Hauff, Bart Bossink

Abstract:

Technological learning and learning curve models have been continuously used to estimate the photovoltaics (PV) cost development over time for the climate mitigation targets. They can integrate a number of technological learning sources which influence the learning process. Yet the accuracy and realistic predictions for cost estimations of PV development are still difficult to achieve. This paper develops four hypothetical-alternative learning curve models by proposing different combinations of technological learning sources, including both local and global technology experience and the knowledge stock. This paper specifically focuses on the non-linear relationship between the costs and technological learning source and their dynamic interaction and uses the system dynamics approach to predict a more accurate PV cost estimation for future development. As the case study, the data from China is gathered and drawn to illustrate that the learning curve model that incorporates both the global and local experience is more accurate and realistic than the other three models for PV cost estimation. Further, absorbing and integrating the global experience into the local industry has a positive impact on PV cost reduction. Although the learning curve model incorporating knowledge stock is not realistic for current PV cost deployment in China, it still plays an effective positive role in future PV cost reduction.

Keywords: photovoltaic, system dynamics, technological learning, learning curve

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2835 A Numerical Model Simulation for an Updraft Gasifier Using High-Temperature Steam

Authors: T. M. Ismail, M. A. El-Salam

Abstract:

A mathematical model study was carried out to investigate gasification of biomass fuels using high-temperature air and steam as a gasifying agent using high-temperature air up to 1000°C. In this study, a 2D computational fluid dynamics model was developed to study the gasification process in an updraft gasifier, considering drying, pyrolysis, combustion, and gasification reactions. The gas and solid phases were resolved using a Euler−Euler multiphase approach, with exchange terms for the momentum, mass, and energy. The standard k−ε turbulence model was used in the gas phase, and the particle phase was modeled using the kinetic theory of granular flow. The results show that the present model giving a promising way in its capability and sensitivity for the parameter effects that influence the gasification process.

Keywords: computational fluid dynamics, gasification, biomass fuel, fixed bed gasifier

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2834 Biosensor Design through Molecular Dynamics Simulation

Authors: Wenjun Zhang, Yunqing Du, Steven W. Cranford, Ming L. Wang

Abstract:

The beginning of 21st century has witnessed new advancements in the design and use of new materials for biosensing applications, from nano to macro, protein to tissue. Traditional analytical methods lack a complete toolset to describe the complexities introduced by living systems, pathological relations, discrete hierarchical materials, cross-phase interactions, and structure-property dependencies. Materiomics – via systematic molecular dynamics (MD) simulation – can provide structure-process-property relations by using a materials science approach linking mechanisms across scales and enables oriented biosensor design. With this approach, DNA biosensors can be utilized to detect disease biomarkers present in individuals’ breath such as acetone for diabetes. Our wireless sensor array based on single-stranded DNA (ssDNA)-decorated single-walled carbon nanotubes (SWNT) has successfully detected trace amount of various chemicals in vapor differentiated by pattern recognition. Here, we present how MD simulation can revolutionize the way of design and screening of DNA aptamers for targeting biomarkers related to oral diseases and oral health monitoring. It demonstrates great potential to be utilized to build a library of DNDA sequences for reliable detection of several biomarkers of one specific disease, and as well provides a new methodology of creating, designing, and applying of biosensors.

Keywords: biosensor, DNA, biomarker, molecular dynamics simulation

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2833 Accelerated Molecular Simulation: A Convolution Approach

Authors: Jannes Quer, Amir Niknejad, Marcus Weber

Abstract:

Computational Drug Design is often based on Molecular Dynamics simulations of molecular systems. Molecular Dynamics can be used to simulate, e.g., the binding and unbinding event of a small drug-like molecule with regard to the active site of an enzyme or a receptor. However, the time-scale of the overall binding event is many orders of magnitude longer than the time-scale of simulation. Thus, there is a need to speed-up molecular simulations. In order to speed up simulations, the molecular dynamics trajectories have to be ”steared” out of local minimizers of the potential energy surface – the so-called metastabilities – of the molecular system. Increasing the kinetic energy (temperature) is one possibility to accelerate simulated processes. However, with temperature the entropy of the molecular system increases, too. But this kind ”stearing” is not directed enough to stear the molecule out of the minimum toward the saddle point. In this article, we give a new mathematical idea, how a potential energy surface can be changed in such a way, that entropy is kept under control while the trajectories are still steared out of the metastabilities. In order to compute the unsteared transition behaviour based on a steared simulation, we propose to use extrapolation methods. In the end we mathematically show, that our method accelerates the simulations along the direction, in which the curvature of the potential energy surface changes the most, i.e., from local minimizers towards saddle points.

Keywords: extrapolation, Eyring-Kramers, metastability, multilevel sampling

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2832 Investigation of Flow Characteristics on Upstream and Downstream of Orifice Using Computational Fluid Dynamics

Authors: War War Min Swe, Aung Myat Thu, Khin Cho Thet, Zaw Moe Htet, Thuzar Mon

Abstract:

The main parameter of the orifice hole diameter was designed according to the range of throttle diameter ratio which gave the required discharge coefficient. The discharge coefficient is determined by difference diameter ratios. The value of discharge coefficient is 0.958 occurred at throttle diameter ratio 0.5. The throttle hole diameter is 80 mm. The flow analysis is done numerically using ANSYS 17.0, computational fluid dynamics. The flow velocity was analyzed in the upstream and downstream of the orifice meter. The downstream velocity of non-standard orifice meter is 2.5% greater than that of standard orifice meter. The differential pressure is 515.379 Pa in standard orifice.

Keywords: CFD-CFX, discharge coefficients, flow characteristics, inclined

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2831 Dynamic Modeling of the Exchange Rate in Tunisia: Theoretical and Empirical Study

Authors: Chokri Slim

Abstract:

The relative failure of simultaneous equation models in the seventies has led researchers to turn to other approaches that take into account the dynamics of economic and financial systems. In this paper, we use an approach based on vector autoregressive model that is widely used in recent years. Their popularity is due to their flexible nature and ease of use to produce models with useful descriptive characteristics. It is also easy to use them to test economic hypotheses. The standard econometric techniques assume that the series studied are stable over time (stationary hypothesis). Most economic series do not verify this hypothesis, which assumes, when one wishes to study the relationships that bind them to implement specific techniques. This is cointegration which characterizes non-stationary series (integrated) with a linear combination is stationary, will also be presented in this paper. Since the work of Johansen, this approach is generally presented as part of a multivariate analysis and to specify long-term stable relationships while at the same time analyzing the short-term dynamics of the variables considered. In the empirical part, we have applied these concepts to study the dynamics of of the exchange rate in Tunisia, which is one of the most important economic policy of a country open to the outside. According to the results of the empirical study by the cointegration method, there is a cointegration relationship between the exchange rate and its determinants. This relationship shows that the variables have a significant influence in determining the exchange rate in Tunisia.

Keywords: stationarity, cointegration, dynamic models, causality, VECM models

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2830 Chromatography Study of Fundamental Properties of Medical Radioisotope Astatine-211

Authors: Evgeny E. Tereshatov

Abstract:

Astatine-211 is considered one of the most promising radionuclides for Targeted Alpha Therapy. In order to develop reliable procedures to label biomolecules and utilize efficient delivery vehicle principles, one should understand the main chemical characteristics of astatine. The short half-life of 211At (~7.2 h) and absence of any stable isotopes of this element are limiting factors towards studying the behavior of astatine. Our team has developed a procedure for rapid and efficient isolation of astatine from irradiated bismuth material in nitric acid media based on 3-octanone and 1-octanol extraction chromatography resins. This process has been automated and it takes 20 min from the beginning of the target dissolution to the At-211 fraction elution. Our next step is to consider commercially available chromatography resins and their applicability in astatine purification in the same media. Results obtained along with the corresponding sorption mechanisms will be discussed.

Keywords: astatine-211, chromatography, automation, mechanism, radiopharmaceuticals

Procedia PDF Downloads 92