Search results for: molecular collision
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2254

Search results for: molecular collision

2224 An Enhanced Hybrid Backoff Technique for Minimizing the Occurrence of Collision in Mobile Ad Hoc Networks

Authors: N. Sabiyath Fatima, R. K. Shanmugasundaram

Abstract:

In Mobile Ad-hoc Networks (MANETS), every node performs both as transmitter and receiver. The existing backoff models do not exactly forecast the performance of the wireless network. Also, the existing models experience elevated packet collisions. Every time a collision happens, the station’s contention window (CW) is doubled till it arrives at the utmost value. The main objective of this paper is to diminish collision by means of contention window Multiplicative Increase Decrease Backoff (CWMIDB) scheme. The intention of rising CW is to shrink the collision possibility by distributing the traffic into an outsized point in time. Within wireless Ad hoc networks, the CWMIDB algorithm dynamically controls the contention window of the nodes experiencing collisions. During packet communication, the backoff counter is evenly selected from the given choice of [0, CW-1]. At this point, CW is recognized as contention window and its significance lies on the amount of unsuccessful transmission that had happened for the packet. On the initial transmission endeavour, CW is put to least amount value (C min), if transmission effort fails, subsequently the value gets doubled, and once more the value is set to least amount on victorious broadcast. CWMIDB is simulated inside NS2 environment and its performance is compared with Binary Exponential Backoff Algorithm. The simulation results show improvement in transmission probability compared to that of the existing backoff algorithm.

Keywords: backoff, contention window, CWMIDB, MANET

Procedia PDF Downloads 249
2223 Classification Earthquake Distribution in the Banda Sea Collision Zone with Point Process Approach

Authors: H. J. Wattimanela, U. S. Passaribu, N. T. Puspito, S. W. Indratno

Abstract:

Banda Sea collision zone (BSCZ) of is the result of the interaction and convergence of Indo-Australian plate, Eurasian plate and Pacific plate. This location in the eastern part of Indonesia. This zone has a very high seismic activity. In this research, we will be calculated rate (λ) and Mean Square Eror (MSE). By this result, we will identification of Poisson distribution of earthquakes in the BSCZ with the point process approach. Chi-square test approach and test Anscombe made in the process of identifying a Poisson distribution in the partition area. The data used are earthquakes with Magnitude ≥ 6 SR and its period 1964-2013 and sourced from BMKG Jakarta. This research is expected to contribute to the Moluccas Province and surrounding local governments in performing spatial plan document related to disaster management.

Keywords: molluca banda sea collision zone, earthquakes, mean square error, poisson distribution, chi-square test, anscombe test

Procedia PDF Downloads 276
2222 Vision-Based Collision Avoidance for Unmanned Aerial Vehicles by Recurrent Neural Networks

Authors: Yao-Hong Tsai

Abstract:

Due to the sensor technology, video surveillance has become the main way for security control in every big city in the world. Surveillance is usually used by governments for intelligence gathering, the prevention of crime, the protection of a process, person, group or object, or the investigation of crime. Many surveillance systems based on computer vision technology have been developed in recent years. Moving target tracking is the most common task for Unmanned Aerial Vehicle (UAV) to find and track objects of interest in mobile aerial surveillance for civilian applications. The paper is focused on vision-based collision avoidance for UAVs by recurrent neural networks. First, images from cameras on UAV were fused based on deep convolutional neural network. Then, a recurrent neural network was constructed to obtain high-level image features for object tracking and extracting low-level image features for noise reducing. The system distributed the calculation of the whole system to local and cloud platform to efficiently perform object detection, tracking and collision avoidance based on multiple UAVs. The experiments on several challenging datasets showed that the proposed algorithm outperforms the state-of-the-art methods.

Keywords: unmanned aerial vehicle, object tracking, deep learning, collision avoidance

Procedia PDF Downloads 127
2221 Selecting the Best Risk Exposure to Assess Collision Risks in Container Terminals

Authors: Mohammad Ali Hasanzadeh, Thierry Van Elslander, Eddy Van De Voorde

Abstract:

About 90 percent of world merchandise trade by volume being carried by sea. Maritime transport remains as back bone behind the international trade and globalization meanwhile all seaborne goods need using at least two ports as origin and destination. Amid seaborne traded cargos, container traffic is a prosperous market with about 16% in terms of volume. Albeit containerized cargos are less in terms of tonnage but, containers carry the highest value cargos amongst all. That is why efficient handling of containers in ports is very important. Accidents are the foremost causes that lead to port inefficiency and a surge in total transport cost. Having different port safety management systems (PSMS) in place, statistics on port accidents show that numerous accidents occur in ports. Some of them claim peoples’ life; others damage goods, vessels, port equipment and/or the environment. Several accident investigation illustrate that the most common accidents take place throughout transport operation, it sometimes accounts for 68.6% of all events, therefore providing a safer workplace depends on reducing collision risk. In order to quantify risks at the port area different variables can be used as exposure measurement. One of the main motives for defining and using exposure in studies related to infrastructure is to account for the differences in intensity of use, so as to make comparisons meaningful. In various researches related to handling containers in ports and intermodal terminals, different risk exposures and also the likelihood of each event have been selected. Vehicle collision within the port area (10-7 per kilometer of vehicle distance travelled) and dropping containers from cranes, forklift trucks, or rail mounted gantries (1 x 10-5 per lift) are some examples. According to the objective of the current research, three categories of accidents selected for collision risk assessment; fall of container during ship to shore operation, dropping container during transfer operation and collision between vehicles and objects within terminal area. Later on various consequences, exposure and probability identified for each accident. Hence, reducing collision risks profoundly rely on picking the right risk exposures and probability of selected accidents, to prevent collision accidents in container terminals and in the framework of risk calculations, such risk exposures and probabilities can be useful in assessing the effectiveness of safety programs in ports.

Keywords: container terminal, collision, seaborne trade, risk exposure, risk probability

Procedia PDF Downloads 343
2220 Analysis of the Gait Characteristics of Soldier between the Normal and Loaded Gait

Authors: Ji-il Park, Min Kyu Yu, Jong-woo Lee, Sam-hyeon Yoo

Abstract:

The purpose of this research is to analyze the gait strategy between the normal and loaded gait. To this end, five male participants satisfied two conditions: the normal and loaded gait (backpack load 25.2 kg). As expected, results showed that additional loads elicited not a proportional increase in vertical and shear ground reaction force (GRF) parameters but also increase of the impulse, momentum and mechanical work. However, in case of the loaded gait, the time duration of the double support phase was increased unexpectedly. It is because the double support phase which is more stable than the single support phase can reduce instability of the loaded gait. Also, the directions of the pre-collision and after-collision were moved upward and downward compared to the normal gait. As a result, regardless of the additional backpack load, the impulse-momentum diagram during the step-to-step transition was maintained such as the normal gait. It means that human walk efficiently to keep stability and minimize total net works in case of the loaded gait.

Keywords: normal gait, loaded gait, impulse, collision, gait analysis, mechanical work, backpack load

Procedia PDF Downloads 262
2219 Developing a Structured Example Space for Finding the Collision Points of Functions and Their Inverse

Authors: M. Saeed, A. Shahidzadeh

Abstract:

Interaction between teachers and learners requires applying a set of samples (examples) which helps to create coordination between the goals and methods. The main result and achievement and application of samples (examples) are that they can bring the teacher and learner to a shared understanding of the concept. mathematical concepts, and also one of the challenging issues in the discussion of the function is to find the collision points of functions of and, regarding that the example space of teachers is different in this issue, this paper aims to present an example space including several problems of the secondary school with the help of intuition and drawing various graphs of functions of and for more familiarity of teachers.

Keywords: inverse function, educational example, Mathematic example, example space

Procedia PDF Downloads 148
2218 Collision Induced Dissociation of Transition Metal Fluoride Complexes and the Multiply Charged Anions

Authors: Ruqia Nazir, Robin Perutz

Abstract:

Collision-induced dissociation (CID) can be used to study the intrinsic properties of ions in the gas phase.1 Decay pathways of transition metal difluoride complexes of titanium, zirconium, hafnium, and ruthenium were studied by CID in an ESI-Ion trap mass spectrometer. Furthermore, the decay pathways of multiply charged anions (MCAs) of titanium and zirconium were also studied. The CID results are illustrated by the behaviour of (Cp*)₂TiF₂, which initially forms the ions [M-F-]⁺, [M+Na]⁺, and [M+K]⁺. The [(Cp*₂)TiF⁺ ion decays on resonant excitation to lose HF forming [Cp*(C₅Me₄CH₂)Ti]⁺ (Figure). The other major ion, [(Cp*)₂TiF₂+Na]⁺, decays on resonant excitation with production of [(Cp*)₂TiF₂]⁺ and [C₅Me₄CH₂]⁺. We also report the behaviour of Cp₂MF₂ (M = Zr, Hf) and Ru(PMe₃)₄F₂. The decay pathway of the multiply charged anions (MCAs), notably TiF₆²⁻ and ZrF₆²⁻ was concluded to be ionic fragmentation with loss of F⁻ rather than electron detachment.

Keywords: collision induced dissociation, transition metal difluoride comolexes, multiply charged anions, mass spectrometry

Procedia PDF Downloads 73
2217 Thick Disc Molecular Gas Fraction in NGC 6946

Authors: Narendra Nath Patra

Abstract:

Several recent studies reinforce the existence of a thick molecular disc in galaxies along with the dynamically cold thin disc. Assuming a two-component molecular disc, we model the disc of NGC 6946 as a four-component system consists of stars, HI, thin disc molecular gas, and thick disc molecular gas in vertical hydrostatic equilibrium. Following, we set up the joint Poisson-Boltzmann equation of hydrostatic equilibrium and solve it numerically to obtain a three-dimensional density distribution of different baryonic components. Using the density solutions and the observed rotation curve, we further build a three-dimensional dynamical model of the molecular disc and consecutively produce simulated CO spectral cube and spectral width profile. We find that the simulated spectral width profiles distinguishably differs for different assumed thick disc molecular gas fraction. Several CO spectral width profiles are then produced for different assumed thick disc molecular gas fractions and compared with the observed one to obtain the best fit thick disc molecular gas fraction profile. We find that the thick disc molecular gas fraction in NGC 6946 largely remains constant across its molecular disc with a mean value of 0.70 +/- 0.09. We also estimate the amount of extra-planar molecular gas in NGC 6946. We find 60% of the total molecular gas is extra-planar at the central region, whereas this fraction reduces to ~ 35% at the edge of the molecular disc. With our method, for the first time, we estimate the thick disc molecular gas fraction as a function of radius in an external galaxy with sub-kpc resolution.

Keywords: galaxies: kinematics and dynamic, galaxies: spiral, galaxies: structure , ISM: molecules, molecular data

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2216 The Application of Collision Damage Analysis in Reconstruction of Sedan-Scooter Accidents

Authors: Chun-Liang Wu, Kai-Ping Shaw, Cheng-Ping Yu, Wu-Chien Chien, Hsiao-Ting Chen, Shao-Huang Wu

Abstract:

Objective: This study analyzed three criminal judicial cases. We applied the damage analysis of the two vehicles to verify other evidence, such as dashboard camera records of each accident, reconstruct the scenes, and pursue the truth. Methods: Evidence analysis, the method is to collect evidence and the reason for the results in judicial procedures, then analyze the involved damage evidence to verify other evidence. The collision damage analysis method is to inspect the damage to the vehicles and utilize the principles of tool mark analysis, Newtonian physics, and vehicle structure to understand the relevant factors when the vehicles collide. Results: Case 1: Sedan A turned right at the T junction and collided with Scooter B, which was going straight on the left road. The dashboard camera records showed that the left side of Sedan A’s front bumper collided with the body of Scooter B and rider B. After the analysis of the study, the truth was that the front of the left side of Sedan A impacted the right pedal of Scooter B and the right lower limb of rider B. Case 2: Sedan C collided with Scooter D on the left road at the crossroads. The dashboard camera record showed that the left side of the Sedan C’s front bumper collided with the body of Scooter D and rider D. After the analysis of the study, the truth was that the left side of the Sedan C impacted the left side of the car body and the front wheel of Scooter D and rider D. Case 3: Sedan E collided with Scooter F on the right road at the crossroads. The dashboard camera record showed that the right side of the Sedan E’s front bumper collided with the body of Scooter F and rider F. After the analysis of the study, the truth was that the right side of the front bumper and the right side of the Sedan F impacted the Scooter. Conclusion: The application of collision damage analysis in the reconstruction of a sedan-scooter collision could discover the truth and provide the basis for judicial justice. The cases and methods could be the reference for the road safety policy.

Keywords: evidence analysis, collision damage analysis, accident reconstruction, sedan-scooter collision, dashboard camera records

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2215 Elastic and Plastic Collision Comparison Using Finite Element Method

Authors: Gustavo Rodrigues, Hans Weber, Larissa Driemeier

Abstract:

The prevision of post-impact conditions and the behavior of the bodies during the impact have been object of several collision models. The formulation from Hertz’s theory is generally used dated from the 19th century. These models consider the repulsive force as proportional to the deformation of the bodies under contact and may consider it proportional to the rate of deformation. The objective of the present work is to analyze the behavior of the bodies during impact using the Finite Element Method (FEM) with elastic and plastic material models. The main parameters to evaluate are, the contact force, the time of contact and the deformation of the bodies. An advantage of using the FEM approach is the possibility to apply a plastic deformation to the model according to the material definition: there will be used Johnson–Cook plasticity model whose parameters are obtained through empirical tests of real materials. This model allows analyzing the permanent deformation caused by impact, phenomenon observed in real world depending on the forces applied to the body. These results are compared between them and with the model-based Hertz theory.

Keywords: collision, impact models, finite element method, Hertz Theory

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2214 Using Finite Element to Predict Failure of Light Weight Bridges Due to Vehicles Impact: Case Study

Authors: Amin H. Almasria, Rajai Z. Alrousanb, Al-Harith Manasrah

Abstract:

The collapse of a light weight pedestrian bridges due to vehicle collision is investigated and studied in detail using a dynamic nonlinear finite element analysis. Typical bridge widely used in Jordan is studied and modeled under truck collision using one dimensional beam finite element in order to minimize analysis time due to the dynamic nature of the problem. Truck collision with the bridge is simulated at different speeds and locations of collisions using dynamic explicit finite element scheme with material nonlinearity taken into account. Energy absorption of bridge is investigated through principle of energy conservation, where truck kinetic energy is assumed to be stored in the bridge as strain energy. Weak failure points in the bridges were identified, and modifications are proposed in order to strengthen the bridge structure and prevent total collapse. The proposed design modifications on bridge structure were successful in allowing the bridge to fail locally rather than globally and expected to help in saving lives.

Keywords: finite element method, dynamic impact, pedestrian bridges, strain energy, collapse failure

Procedia PDF Downloads 592
2213 Design of Target Selection for Pedestrian Autonomous Emergency Braking System

Authors: Tao Song, Hao Cheng, Guangfeng Tian, Chuang Xu

Abstract:

An autonomous emergency braking system is an advanced driving assistance system that enables vehicle collision avoidance and pedestrian collision avoidance to improve vehicle safety. At present, because the pedestrian target is small, and the mobility is large, the pedestrian AEB system is faced with more technical difficulties and higher functional requirements. In this paper, a method of pedestrian target selection based on a variable width funnel is proposed. Based on the current position and predicted position of pedestrians, the relative position of vehicle and pedestrian at the time of collision is calculated, and different braking strategies are adopted according to the hazard level of pedestrian collisions. In the CNCAP standard operating conditions, comparing the method of considering only the current position of pedestrians and the method of considering pedestrian prediction position, as well as the method based on fixed width funnel and variable width funnel, the results show that, based on variable width funnel, the choice of pedestrian target will be more accurate and the opportunity of the intervention of AEB system will be more reasonable by considering the predicted position of the pedestrian target and vehicle's lateral motion.

Keywords: automatic emergency braking system, pedestrian target selection, TTC, variable width funnel

Procedia PDF Downloads 129
2212 Molecular Junctions between Graphene Strips: Electronic and Transport Properties

Authors: Adel Belayadi, Ahmed Mougari, Boualem Bourahla

Abstract:

Molecular junctions are currently considered a promising style in the miniaturization of electronic devices. In this contribution, we provide a tight-binding model to investigate the quantum transport properties across-molecular junctions sandwiched between 2D-graphene nanoribbons in the zigzag direction. We investigate, in particular, the effect of embedded atoms such as Gold and Silicon across the molecular junction. The results exhibit a resonance behavior in terms of incident Fermi levels, depending on the molecular junction type. Additionally, the transport properties under a perpendicular magnetic field exhibit an oscillation for the transmittance versus the magnetic field strength.

Keywords: molecular junction, 2D-graphene nanoribbons, quantum transport properties, magnetic field

Procedia PDF Downloads 63
2211 Numerical Simulation of Truck Collision with Road Blocker

Authors: Engin Metin Kaplan, Kemal Yaman

Abstract:

In this study, the crash of a medium heavy vehicle onto a designed Road blocker (vehicle barrier) is studied numerically. Structural integrity of the Road blocker is studied by nonlinear dynamic methods under the loading conditions which are defined in the standards. NASTRAN® and LS-DYNA® which are commercial software are used to solve the problem. Outer geometry determination, alignment of the inner part and material properties of the road blocker are studied linearly to yield design parameters. Best design parameters are determined to achieve the most structurally optimized road blocker. Strain and stress values of the vehicle barrier are obtained by solving the partial differential equations.

Keywords: vehicle barrier, truck collision, road blocker, crash analysis

Procedia PDF Downloads 447
2210 Molecular Docking Assessment of Pesticides Binding to Bacterial Chitinases

Authors: Diana Larisa Vladoiu, Vasile Ostafe, Adriana Isvoran

Abstract:

Molecular docking calculations reveal that pesticides provide favorable interactions with the bacterial chitinases. Pesticides interact with both hydrophilic and aromatic residues involved in the active site of the enzymes, their positions partially overlapping the substrate and the inhibitors locations. Molecular docking outcomes, in correlation with experimental literature data, suggest that the pesticides may be degraded or having an inhibitor effect on the activity of these enzymes, depending of the application dose and rate.

Keywords: chitinases, inhibition, molecular docking, pesticides

Procedia PDF Downloads 517
2209 An Effective Decision-Making Strategy Based on Multi-Objective Optimization for Commercial Vehicles in Highway Scenarios

Authors: Weiming Hu, Xu Li, Xiaonan Li, Zhong Xu, Li Yuan, Xuan Dong

Abstract:

Maneuver decision-making plays a critical role in high-performance intelligent driving. This paper proposes a risk assessment-based decision-making network (RADMN) to address the problem of driving strategy for the commercial vehicle. RADMN integrates two networks, aiming at identifying the risk degree of collision and rollover and providing decisions to ensure the effectiveness and reliability of driving strategy. In the risk assessment module, risk degrees of the backward collision, forward collision and rollover are quantified for hazard recognition. In the decision module, a deep reinforcement learning based on multi-objective optimization (DRL-MOO) algorithm is designed, which comprehensively considers the risk degree and motion states of each traffic participant. To evaluate the performance of the proposed framework, Prescan/Simulink joint simulation was conducted in highway scenarios. Experimental results validate the effectiveness and reliability of the proposed RADMN. The output driving strategy can guarantee the safety and provide key technical support for the realization of autonomous driving of commercial vehicles.

Keywords: decision-making strategy, risk assessment, multi-objective optimization, commercial vehicle

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2208 Effect of Plasticizer Additives on the Mechanical Properties of Cement Composite: A Molecular Dynamics Analysis

Authors: R. Mohan, V. Jadhav, A. Ahmed, J. Rivas, A. Kelkar

Abstract:

Cementitious materials are an excellent example of a composite material with complex hierarchical features and random features that range from nanometer (nm) to millimeter (mm) scale. Multi-scale modeling of complex material systems requires starting from fundamental building blocks to capture the scale relevant features through associated computational models. In this paper, molecular dynamics (MD) modeling is employed to predict the effect of plasticizer additive on the mechanical properties of key hydrated cement constituent calcium-silicate-hydrate (CSH) at the molecular, nanometer scale level. Due to complexity, still unknown molecular configuration of CSH, a representative configuration widely accepted in the field of mineral Jennite is employed. The effectiveness of the Molecular Dynamics modeling to understand the predictive influence of material chemistry changes based on molecular/nanoscale models is demonstrated.

Keywords: cement composite, mechanical properties, molecular dynamics, plasticizer additives

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2207 Application of Molecular Markers for Crop Improvement

Authors: Monisha Isaac

Abstract:

Use of molecular markers for selecting plants with desired traits has been started long back. Due to their heritable characteristics, they are useful for identification and characterization of specific genotypes. The study involves various types of molecular markers used to select multiple desired characters in plants, their properties, and advantages to improve crop productivity in adverse climatological conditions for the purpose of providing food security to fast-growing global population. The study shows that genetic similarities obtained from molecular markers provide more accurate information and the genetic diversity can be better estimated from the genetic relationship obtained from the dendrogram. The information obtained from markers assisted characterization is more suitable for the crops of economic importance like sugarcane.

Keywords: molecular markers, crop productivity, genetic diversity, genotype

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2206 Potential Field Functions for Motion Planning and Posture of the Standard 3-Trailer System

Authors: K. Raghuwaiya, S. Singh, B. Sharma, J. Vanualailai

Abstract:

This paper presents a set of artificial potential field functions that improves upon; in general, the motion planning and posture control, with theoretically guaranteed point and posture stabilities, convergence and collision avoidance properties of 3-trailer systems in a priori known environment. We basically design and inject two new concepts; ghost walls and the Distance Optimization Technique (DOT) to strengthen point and posture stabilities, in the sense of Lyapunov, of our dynamical model. This new combination of techniques emerges as a convenient mechanism for obtaining feasible orientations at the target positions with an overall reduction in the complexity of the navigation laws. The effectiveness of the proposed control laws were demonstrated via simulations of two traffic scenarios.

Keywords: artificial potential fields, 3-trailer systems, motion planning, posture, parking and collision, free trajectories

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2205 Topological Analysis of Hydrogen Bonds in Pyruvic Acid-Water Mixtures

Authors: Ferid Hammami

Abstract:

The molecular geometries of the possible conformations of pyruvic acid-water complexes (PA-(H₂O)ₙ = 1- 4) have been fully optimized at DFT/B3LYP/6-311G ++ (d, p) levels of calculation. Among several optimized molecular clusters, the most stable molecular arrangements obtained when one, two, three, and four water molecules are hydrogen-bonded to a central pyruvic acid molecule are presented in this paper. Apposite topological and geometrical parameters are considered as primary indicators of H-bond strength. Atoms in molecules (AIM) analysis shows that pyruvic acid can form a ring structure with water, and the molecular structures are stabilized by both strong O-H...O and C-H...O hydrogen bonds. In large clusters, classical O-H...O hydrogen bonds still exist between water molecules, and a cage-like structure is built around some parts of the central molecule of pyruvic acid. The electrostatic potential energy map (MEP) and the HOMO-LUMO molecular orbital (highest occupied molecular orbital-lowest unoccupied molecular orbital) analysis has been performed for all considered complexes.

Keywords: pyruvic acid, PA-water complex, hydrogen bonding, DFT, AIM, MEP, HOMO-LUMO

Procedia PDF Downloads 179
2204 Characterization on Molecular Weight of Polyamic Acids Using GPC Coupled with Multiple Detectors

Authors: Mei Hong, Wei Liu, Xuemin Dai, Yanxiong Pan, Xiangling Ji

Abstract:

Polyamic acid (PAA) is the precursor of polyimide (PI) prepared by a two-step method, its molecular weight and molecular weight distribution not only play an important role during the preparation and processing, but also influence the final performance of PI. However, precise characterization on molecular weight of PAA is still a challenge because of the existence of very complicated interactions in the solution system, including the electrostatic interaction, hydrogen bond interaction, dipole-dipole interaction, etc. Thus, it is necessary to establisha suitable strategy which can completely suppress these complex effects and get reasonable data on molecular weight. Herein, the gel permeation chromatography (GPC) coupled with differential refractive index (RI) and multi-angle laser light scattering (MALLS) detectors were applied to measure the molecular weight of (6FDA-DMB) PAA using different mobile phases, LiBr/DMF, LiBr/H3PO4/THF/DMF, LiBr/HAc/THF/DMF, and LiBr/HAc/DMF, respectively. It was found that combination of LiBr with HAc can shield the above-mentioned complex interactions and is more conducive to the separation of PAA than only addition of LiBr in DMF. LiBr/HAc/DMF was employed for the first time as a mild mobile phase to effectively separate PAA and determine its molecular weight. After a series of conditional experiments, 0.02M LiBr/0.2M HAc/DMF was fixed as an optimized mobile phase to measure the relative and absolute molecular weights of (6FDA-DMB) PAA prepared, and the obtained Mw from GPC-MALLS and GPC-RI were 35,300 g/mol and 125,000 g/mol, respectively. Particularly, such a mobile phase is also applicable to other PAA samples with different structures, and the final results on molecular weight are also reproducible.

Keywords: Polyamic acids, Polyelectrolyte effects, Gel permeation chromatography, Mobile phase, Molecular weight

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2203 Molecular Modeling of 17-Picolyl and 17-Picolinylidene Androstane Derivatives with Anticancer Activity

Authors: Sanja Podunavac-Kuzmanović, Strahinja Kovačević, Lidija Jevrić, Evgenija Djurendić, Jovana Ajduković

Abstract:

In the present study, the molecular modeling of a series of 24 17-picolyl and 17-picolinylidene androstane derivatives whit significant anticancer activity was carried out. Modelling of studied compounds was performed by CS ChemBioDraw Ultra v12.0 program for drawing 2D molecular structures and CS ChemBio3D Ultra v12.0 for 3D molecular modelling. The obtained 3D structures were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. Full geometry optimization was done by the Austin Model 1 (AM1) until the root mean square (RMS) gradient reached a value smaller than 0.0001 kcal/Åmol using Molecular Orbital Package (MOPAC) program. The obtained physicochemical, lipophilicity and topological descriptors were used for analysis of molecular similarities and dissimilarities applying suitable chemometric methods (principal component analysis and cluster analysis). These results are the part of the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina and CMST COST Action CM1306.

Keywords: androstane derivatives, anticancer activity, chemometrics, molecular descriptors

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2202 Design and Analysis for a 4-Stage Crash Energy Management System for Railway Vehicles

Authors: Ziwen Fang, Jianran Wang, Hongtao Liu, Weiguo Kong, Kefei Wang, Qi Luo, Haifeng Hong

Abstract:

A 4-stage crash energy management (CEM) system for subway rail vehicles used by Massachusetts Bay Transportation Authority (MBTA) in the USA is developed in this paper. The 4 stages of this new CEM system include 1) energy absorbing coupler (draft gear and shear bolts), 2) primary energy absorbers (aluminum honeycomb structured box), 3) secondary energy absorbers (crush tube), and 4) collision post and corner post. A sliding anti-climber and a fixed anti-climber are designed at the front of the vehicle cooperating with the 4-stage CEM to maximize the energy to be absorbed and minimize the damage to passengers and crews. In order to investigate the effectiveness of this CEM system, both finite element (FE) methods and crashworthiness test have been employed. The whole vehicle consists of 3 married pairs, i.e., six cars. In the FE approach, full-scale railway car models are developed and different collision cases such as a single moving car impacting a rigid wall, two moving cars into a rigid wall, two moving cars into two stationary cars, six moving cars into six stationary cars and so on are investigated. The FE analysis results show that the railway vehicle incorporating this CEM system has a superior crashworthiness performance. In the crashworthiness test, a simplified vehicle front end including the sliding anti-climber, the fixed anti-climber, the primary energy absorbers, the secondary energy absorber, the collision post and the corner post is built and impacted to a rigid wall. The same test model is also analyzed in the FE and the results such as crushing force, stress, and strain of critical components, acceleration and velocity curves are compared and studied. FE results show very good comparison to the test results.

Keywords: railway vehicle collision, crash energy management design, finite element method, crashworthiness test

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2201 Bibliometric Analysis of Risk Assessment of Inland Maritime Accidents in Bangladesh

Authors: Armana Huq, Wahidur Rahman, Sanwar Kader

Abstract:

Inland waterways in Bangladesh play an important role in providing comfortable and low-cost transportation. However, a maritime accident takes away many lives and creates unwanted hazards every year. This article deals with a comprehensive review of inland waterway accidents in Bangladesh. Additionally, it includes a comparative study between international and local inland research studies based on maritime accidents. Articles from inland waterway areas are analyzed in-depth to make a comprehensive overview of the nature of the academic work, accident and risk management process and different statistical analyses. It is found that empirical analysis based on the available statistical data dominates the research domain. For this study, major maritime accident-related works in the last four decades in Bangladesh (1981-2020) are being analyzed for preparing a bibliometric analysis. A study of maritime accidents of passenger's vessels during (1995-2005) indicates that the predominant causes of accidents in the inland waterways of Bangladesh are collision and adverse weather (77%), out of which collision due to human error alone stands (56%) of all accidents. Another study refers that the major causes of waterway accidents are the collision (60.3%) during 2005-2015. About 92% of this collision occurs due to direct contact with another vessel during this period. Rest 8% of the collision occurs by contact with permanent obstruction on waterway roots. The overall analysis of another study from the last 25 years (1995-2019) shows that one of the main types of accidents is collisions, with about 50.3% of accidents being caused by collisions. The other accident types are cyclone or storm (17%), overload (11.3%), physical failure (10.3%), excessive waves (5.1%), and others (6%). Very few notable works are available in testing or comparing the methods, proposing new methods for risk management, modeling, uncertainty treatment. The purpose of this paper is to provide an overview of the evolution of marine accident-related research domain regarding inland waterway of Bangladesh and attempts to introduce new ideas and methods to abridge the gap between international and national inland maritime-related work domain which can be a catalyst for a safer and sustainable water transportation system in Bangladesh. Another fundamental objective of this paper is to navigate various national maritime authorities and international organizations to implement risk management processes for shipping accident prevention in waterway areas.

Keywords: inland waterways, safety, bibliometric analysis, risk management, accidents

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2200 Modelling of Lunar Lander’s Thruster’s Exhaust Plume Impingement in Vacuum

Authors: Mrigank Sahai, R. Sri Raghu

Abstract:

This paper presents the modelling of rocket exhaust plume flow field and exhaust plume impingement in vacuum for the liquid apogee engine and attitude control thrusters of the lunar lander. Analytic formulations for rarefied gas kinetics has been taken as reference for modelling the plume flow field. The plume has been modelled as high speed, collision-less, axi-symmetric gas jet, expanding into vacuum and impinging at a normally set diffusive circular plate. Specular reflections have not been considered for the present study. Different parameters such as number density, temperature, pressure, flow velocity, heat flux etc., have been calculated and have been plotted against and compared to Direct Simulation Monte Carlo results. These analyses have provided important information for the placement of critical optical instruments and design of optimal thermal insulation for the hardware that may come in contact with the thruster exhaust.

Keywords: collision-less gas, lunar lander, plume impingement, rarefied exhaust plume

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2199 Quantom Magnetic Effects of P-B Fusion in Plasma Focus Devices

Authors: M. Habibi

Abstract:

The feasibility of proton-boron fusion in plasmoids caused by magneto hydrodynamics instabilities in plasma focus devices is studied analytically. In plasmoids, fusion power for 76 keV < Ti < 1500 keV exceeds bremsstrahlung loss (W/Pb=5.39). In such situation gain factor and the ratio of Te to Ti for a typical 150 kJ plasma focus device will be 7.8 and 4.8 respectively. Also with considering the ion viscous heating effect, W/Pb and Ti/Te will be 2.7 and 6 respectively. Strong magnetic field will reduces ion-electron collision rate due to quantization of electron orbits. While approximately there is no change in electron-ion collision rate, the effect of quantum magnetic field makes ions much hotter than electrons which enhance the fraction of fusion power to bremsstrahlung loss. Therefore self-sustained p-11B fusion reactions would be possible and it could be said that p-11B fuelled plasma focus device is a clean and efficient source of energy.

Keywords: plasmoids, p11B fuel, ion viscous heating, quantum magnetic field, plasma focus device

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2198 An Insight into the Conformational Dynamics of Glycan through Molecular Dynamics Simulation

Authors: K. Veluraja

Abstract:

Glycan of glycolipids and glycoproteins is playing a significant role in living systems particularly in molecular recognition processes. Molecular recognition processes are attributed to their occurrence on the surface of the cell, sequential arrangement and type of sugar molecules present in the oligosaccharide structure and glyosidic linkage diversity (glycoinformatics) and conformational diversity (glycoconformatics). Molecular Dynamics Simulation study is a theoretical-cum-computational tool successfully utilized to establish glycoconformatics of glycan. The study on various oligosaccharides of glycan clearly indicates that oligosaccharides do exist in multiple conformational states and these conformational states arise due to the flexibility associated with a glycosidic torsional angle (φ,ψ) . As an example: a single disaccharide structure NeuNacα(2-3) Gal exists in three different conformational states due to the differences in the preferential value of glycosidic torsional angles (φ,ψ). Hence establishing three dimensional structural and conformational models for glycan (cartesian coordinates of every individual atoms of an oligosaccharide structure in a preferred conformation) is quite crucial to understand various molecular recognition processes such as glycan-toxin interaction and glycan-virus interaction. The gycoconformatics models obtained for various glycan through Molecular Dynamics Simulation stored in our 3DSDSCAR (3DSDSCAR.ORG) a public domain database and its utility value in understanding the molecular recognition processes and in drug design venture will be discussed.

Keywords: glycan, glycoconformatics, molecular dynamics simulation, oligosaccharide

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2197 Computing Some Topological Descriptors of Single-Walled Carbon Nanotubes

Authors: Amir Bahrami

Abstract:

In the fields of chemical graph theory, molecular topology, and mathematical chemistry, a topological index or a descriptor index also known as a connectivity index is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound. Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. Topological indices are used for example in the development of quantitative structure-activity relationships (QSARs) in which the biological activity or other properties of molecules are correlated with their chemical structure. In this paper some descriptor index (descriptor index) of single-walled carbon nanotubes, is determined.

Keywords: chemical graph theory, molecular topology, molecular descriptor, single-walled carbon nanotubes

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2196 Thermodynamics of Stable Micro Black Holes Production by Modeling from the LHC

Authors: Aref Yazdani, Ali Tofighi

Abstract:

We study a simulative model for production of stable micro black holes based on investigation on thermodynamics of LHC experiment. We show that how this production can be achieved through a thermodynamic process of stability. Indeed, this process can be done through a very small amount of powerful fuel. By applying the second law of black hole thermodynamics at the scale of quantum gravity and perturbation expansion of the given entropy function, a time-dependent potential function is obtained which is illustrated with exact numerical values in higher dimensions. Seeking for the conditions for stability of micro black holes is another purpose of this study. This is proven through an injection method of putting the exact amount of energy into the final phase of the production which is equivalent to the same energy injection into the center of collision at the LHC in order to stabilize the produced particles. Injection of energy into the center of collision at the LHC is a new pattern that it is worth a try for the first time.

Keywords: micro black holes, LHC experiment, black holes thermodynamics, extra dimensions model

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2195 Rheological and Self-Healing Properties of Poly (Vinyl Butyral)

Authors: Sunatda Arayachukiat, Shogo Nobukawa, Masayuki Yamaguchi

Abstract:

A new self-healing material was developed utilizing molecular entanglements for poly(vinyl butyral) (PVB) containing plasticizers. It was found that PVB shows autonomic self-healing behavior even below the glass transition temperature Tg because of marked molecular motion at surface. Moreover, the plasticizer addition enhances the chain mobility, leading to good healing behavior.

Keywords: Poly(vinyl butyral) (PVB), rheological properties, self-healing behaviour, molecular diffusion

Procedia PDF Downloads 401