Search results for: computational accuracy

Authors: Ece A. Irmak, Amdulla O. Mekhrabov, M. Vedat Akdeniz

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There is a growing interest in the modeling and simulation of magnetic nanoalloys by various computational methods. Magnetic crystalline/amorphous nanoparticles (NP) are interesting materials from both the applied and fundamental points of view, as their properties differ from those of bulk materials and are essential for advanced applications such as high-performance permanent magnets, high-density magnetic recording media, drug carriers, sensors in biomedical technology, etc. As an important magnetic material, Fe-Ni based nanoalloys have promising applications in the chemical industry (catalysis, battery), aerospace and stealth industry (radar absorbing material, jet engine alloys), magnetic biomedical applications (drug delivery, magnetic resonance imaging, biosensor) and computer hardware industry (data storage). The physical and chemical properties of the nanoalloys depend not only on the particle or crystallite size but also on composition and atomic ordering. Therefore, computer modeling is an essential tool to predict structural, electronic, magnetic and optical behavior at atomistic levels and consequently reduce the time for designing and development of new materials with novel/enhanced properties. Although first-principles quantum mechanical methods provide the most accurate results, they require huge computational effort to solve the Schrodinger equation for only a few tens of atoms. On the other hand, molecular dynamics method with appropriate empirical or semi-empirical inter-atomic potentials can give accurate results for the static and dynamic properties of larger systems in a short span of time. In this study, structural evolutions, magnetic and electronic properties of Fe-Ni based nanoalloys have been studied by using molecular dynamics (MD) method in Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and Density Functional Theory (DFT) in the Vienna Ab initio Simulation Package (VASP). The effects of particle size (in 2-10 nm particle size range) and temperature (300-1500 K) on stability and structural evolutions of amorphous and crystalline Fe-Ni bulk/nanoalloys have been investigated by combining molecular dynamic (MD) simulation method with Embedded Atom Model (EAM). EAM is applicable for the Fe-Ni based bimetallic systems because it considers both the pairwise interatomic interaction potentials and electron densities. Structural evolution of Fe-Ni bulk and nanoparticles (NPs) have been studied by calculation of radial distribution functions (RDF), interatomic distances, coordination number, core-to-surface concentration profiles as well as Voronoi analysis and surface energy dependences on temperature and particle size. Moreover, spin-polarized DFT calculations were performed by using a plane-wave basis set with generalized gradient approximation (GGA) exchange and correlation effects in the VASP-MedeA package to predict magnetic and electronic properties of the Fe-Ni based alloys in bulk and nanostructured phases. The result of theoretical modeling and simulations for the structural evolutions, magnetic and electronic properties of Fe-Ni based nanostructured alloys were compared with experimental and other theoretical results published in the literature.

Keywords: density functional theory, embedded atom model, Fe-Ni systems, molecular dynamics, nanoalloys

Procedia PDF Downloads 243

Authors: Alireza Yavar, Sukiman Sarmani, Khoo Kok Siong

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The residents of villages in Kandal province of Cambodia, because of dietary habits, lifestyle and ecological conditions, are exposed to toxic elements like arsenic (As) and mercury (Hg). For comparison purpose, scalp hair samples of 12-17 school children from three villages of Anglong Romiot (AR), Svay Romiot (SR) and Kampong Kong (KK) in Kandal province of Cambodia were considered using k0- instrumental neutron activation method (k0-INAA). The samples irradiated 6 hours with 750 kW power in Malaysian nuclear agency (MNA) research reactor and subsequently found gamma peaks of radionuclides in samples using HPGe detector. The average values of arsenic and mercury were 0.0 and 3.52 (mg/kg) in AR; 1.88 and 4.26 (mg/kg) in SR; 2.81 and 3.37 (mg/kg) in KK, respectively. The results indicate KK, SR, and AR villages were in high, medium and control level of arsenic pollution, respectively. However, Hg concentration were highest in SR, then KK and AR villages, respectively. The accuracy of the method was assessed by analyzing ERM-DB001-human hair as certified reference materials (CRMs), which experimental result of ERM-DB001 was consistent with certified values. In addition, correlation between As and Hg levels was found by Pearson’s correlation test.

Keywords: Kandal province of Cambodia, k0- instrumental neutron activation method., scalp human hair, arsenic and mercury

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Authors: Santosh Tummidi, Pragati Sathe, Kanchan Kothari, Prachi Gholap, Mona Agnihotri, Gwendolyn Fernandes, Leena Naik, Rachana Chaturvedi

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Introduction: EUS-Guided Fine Needle Aspiration/Brush (EUS-FNA/Brush) has become increasingly popular for the diagnosis and staging of gastrointestinal and peri-gastrointestinal lesions. Objective: To evaluate the diagnostic accuracy and spectrum of lesions in gastrointestinal EUS-FNA. Material and Methods: A total of 124 EUS-FNA during the period from Aug 2015-Nov 2016 were studied. Results: Age ranged from 13-80 years with a slight female predominance. CBD was the most common site with 47 cases amongst which were 9 adenocarcinoma, and 7 cases were suspicious for malignancy. Pancreatic EUS-FNA showed 5 adenocarcinoma, 2 SPEN, 1 case each of neuroendocrine tumor, anaplastic carcinoma and NHL. Amongst oesophageal lesions, 3 cases were suspicious for malignancy, and 4 were inflammatory, 4 showed SCC, 1case each adenocarcinoma and leiomyoma. Stomach- 1 case each of adenocarcinoma, granulomatous inflammation, and GIST. Periportal lymph nodes were the commonest nodes, and there were 11 necrotising granulomatous inflammations, 3 metastatic adenocarcinoma, 2 cases of atypical cells and 1 case of NHL. 17 cases were unsatisfactory, 41 cases had histopathology follow up with 85% cases being concordant. Conclusion: EUS-FNA is reliable, sensitive and specific. It can be utilized for better management of intra-abdominal lesions.

Keywords: EUS-FNA, brush, cytology, histopathology

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Authors: Abdulrahman Alenezi

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This research paper investigates the surface heat transfer characteristics using computational fluid dynamics for orthogonal and inclined impinging jet. A jet Reynolds number (Rₑ) of 10,000, jet-to- plate spacing (H/D) of two and eight and two angles of impingement (α) of 45° and 90° (orthogonal) were employed in this study. An unconfined jet impinges steadily a constant temperature flat surface using air as working fluid. The numerical investigation is validated with an experimental study. This numerical study employs grid dependency investigation and four different types of turbulence models including the transition SSD to accurately predict the second local maximum in Nusselt number. A full analysis of the effect of both turbulence models and mesh size is reported. Numerical values showed excellent agreement with the experimental data for the case of orthogonal impingement. For the case of H/D =6 and α=45° a maximum percentage error of approximately 8.8% occurs of local Nusselt number at stagnation point. Experimental and numerical correlations are presented for four different cases

Keywords: turbulence model, inclined jet impingement, single jet impingement, heat transfer, stagnation point

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Authors: Hadi Ardiny, Amir Mohammad Beigzadeh

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Through the utilization of a combination of various sensors and data fusion methods, the detection of potential nuclear threats can be significantly enhanced by extracting more information from different data. In this research, an experimental and modeling approach was employed to track a radioactive source by combining a surveillance camera and a radiation detector (NaI). To run this experiment, three mobile robots were utilized, with one of them equipped with a radioactive source. An algorithm was developed in identifying the contaminated robot through correlation between camera images and camera data. The computer vision method extracts the movements of all robots in the XY plane coordinate system, and the detector system records the gamma-ray count. The position of the robots and the corresponding count of the moving source were modeled using the MCNPX simulation code while considering the experimental geometry. The results demonstrated a high level of accuracy in finding and locating the target in both the simulation model and experimental measurement. The modeling techniques prove to be valuable in designing different scenarios and intelligent systems before initiating any experiments.

Keywords: nuclear threats, radiation detector, MCNPX simulation, modeling techniques, intelligent systems

Procedia PDF Downloads 123

Authors: Kyung-Jin You, Kiwon Rhee, Marc H. Schieber, Nitish V. Thakor, Hyun-Chool Shin

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It remains unknown whether M1 neurons encode multi-finger movements independently or as a certain neural network of single finger movements although multi-finger movements are physically a combination of single finger movements. We present an evidence of correlation between single and multi-finger movements and also attempt a challenging task of semi-blind decoding of neural data with minimum training of the neural decoder. Data were collected from 115 task-related neurons in M1 of a trained rhesus monkey performing flexion and extension of each finger and the wrist (12 single and 6 two-finger-movements). By exploiting correlation of temporal firing pattern between movements, we found that correlation coefficient for physically related movements pairs is greater than others; neurons tuned to single finger movements increased their firing rate when multi-finger commands were instructed. According to this knowledge, neural semi-blind decoding is done by choosing the greatest and the second greatest likelihood for canonical candidates. We achieved a decoding accuracy about 60% for multiple finger movement without corresponding training data set. this results suggest that only with the neural activities on single finger movements can be exploited to control dexterous multi-fingered neuroprosthetics.

Keywords: finger movement, neural activity, blind decoding, M1

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Authors: Maurice Ntahobari, Levin Kuhlmann, Mario Boley, Zhinoos Razavi Hesabi

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For machine learning based epileptic seizure prediction, it is important for the model to be implemented in small implantable or wearable devices that can be used to monitor epilepsy patients; however, current state-of-the-art methods are complex and computationally intensive. We use Shapley Additive Explanation (SHAP) to find relevant intracranial electroencephalogram (iEEG) features and improve the computational efficiency of a state-of-the-art seizure prediction method based on the extra trees classifier while maintaining prediction performance. Results for a small contest dataset and a much larger dataset with continuous recordings of up to 3 years per patient from 15 patients yield better than chance prediction performance (p < 0.004). Moreover, while the performance of the SHAP-based model is comparable to that of the benchmark, the overall training and prediction time of the model has been reduced by a factor of 1.83. It can also be noted that the feature called zero crossing value is the best EEG feature for seizure prediction. These results suggest state-of-the-art seizure prediction performance can be achieved using efficient methods based on optimal feature selection.

Keywords: machine learning, seizure prediction, extra tree classifier, SHAP, epilepsy

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Authors: M. Dabirinezhad, M. Bayat Pour, A. Dabirinejad

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In 2020, the technology was introduced to solve some of the deficiencies of direct digital radiology. SDDR is an invention that is capable of capturing dental images without human intervention, and it was invented by the authors of this paper. Adjusting the radiology wave dose is a part of the dentists, radiologists, and dental nurses’ tasks during the radiology photography process. In this paper, an improvement will be added to enable SDDR to set the suitable radiology wave dose according to the density and age of the patients automatically. The separate sensors will be included in the sensors’ package to use the ultrasonic wave to detect the density of the teeth and change the wave dose. It facilitates the process of dental photography in terms of time and enhances the accuracy of choosing the correct wave dose for each patient separately. Since the radiology waves are well known to trigger off other diseases such as cancer, choosing the most suitable wave dose can be helpful to decrease the side effect of that for human health. In other words, it decreases the exposure time for the patients. On the other hand, due to saving time, less energy will be consumed, and saving energy can be beneficial to decrease the environmental impact as well.

Keywords: dental direct digital imaging, environmental impacts, SDDR technology, wave dose

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Authors: Mohammedi Ferhate, Hakim Chadli, Laggoun Chaouki

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The main objectives of work in this area are, first, obtaining the high laser energies in short time durations needed for the feasibility studies of laser induced thermodynamically exothermic chemical reactions , second, investigating the physical principles that can be used to make laser sources capable of delivering high average powers. We note that, in order to reach both objectives, one has to convert electrical or chemical energy into laser energy, using dense gaseous media.. We present results from the early development of an F atom source appropriate for HF and DF chemical laser research. We next explain the very important difficulties encountered in working with dense gases for that purpose, and we shall describe how, especially at Evaluation of downstream-mixing scheme –levels transitions (001) → (100) and (001) → (020) gas dynamic laser The physical phenomena that control the operation of presently existing laser devices are now sufficiently well understood, so that it is possible to predict that new generations of lasers could be designed in the future. The proposed model of excitation and relaxation levels was finally proved by the computational numerical code of Matlab toolboxes of different parameters of nozzle.

Keywords: hydrogen, combust, chemical laser, halogen atom

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Authors: Khaled Nagaty, Heba Nagaty, Gerard McKee

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A signature is a behavioral biometric that is used for authenticating users in most financial and legal transactions. Signatures can be easily forged by skilled forgers. Therefore, it is essential to verify whether a signature is genuine or forged. The aim of any signature verification algorithm is to accommodate the differences between signatures of the same person and increase the ability to discriminate between signatures of different persons. This work presented in this paper proposes an automatic signature verification system to indicate whether a signature is genuine or not. The system comprises four phases: (1) The pre-processing phase in which image scaling, binarization, image rotation, dilation, thinning, and connecting ridge breaks are applied. (2) The feature extraction phase in which global and local features are extracted. The local features are minutiae points, curvature orientation, and curve plateau. The global features are signature area, signature aspect ratio, and Hu moments. (3) The post-processing phase, in which false minutiae are removed. (4) The classification phase in which features are enhanced before feeding it into the classifier. k-nearest neighbors and support vector machines are used. The classifier was trained on a benchmark dataset to compare the performance of the proposed offline signature verification system against the state-of-the-art. The accuracy of the proposed system is 92.3%.

Keywords: signature, ridge breaks, minutiae, orientation

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Authors: Han-Jeong Hwang, Jae-Hyun Jo, Fatemeh Alimardani

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An accurate diagnosis of psychiatric diseases is a challenging issue, in particular when distinct symptoms for different diseases are overlapped, such as delusions appeared in bipolar mood disorder (BMD) and schizophrenia (SCH). In the present study, we propose a useful way to discriminate BMD and SCH using electroencephalography (EEG). A total of thirty BMD and SCH patients (15 vs. 15) took part in our experiment. EEG signals were measured with nineteen electrodes attached on the scalp using the international 10-20 system, while they were exposed to a visual stimulus flickering at 16 Hz for 95 s. The flickering visual stimulus induces a certain brain signal, known as steady-state visual evoked potential (SSVEP), which is differently observed in patients with BMD and SCH, respectively, in terms of SSVEP amplitude because they process the same visual information in own unique way. For classifying BDM and SCH patients, machine learning technique was employed in which leave-one-out-cross validation was performed. The SSVEPs induced at the fundamental (16 Hz) and second harmonic (32 Hz) stimulation frequencies were extracted using fast Fourier transformation (FFT), and they were used as features. The most discriminative feature was selected using the Fisher score, and support vector machine (SVM) was used as a classifier. From the analysis, we could obtain a classification accuracy of 83.33 %, showing the feasibility of discriminating patients with BMD and SCH using EEG. We expect that our approach can be utilized for psychiatrists to more accurately diagnose the psychiatric disorders, BMD and SCH.

Keywords: bipolar mood disorder, electroencephalography, schizophrenia, machine learning

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Authors: Kashif Hassan, M.A. Ahanger

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Floods have become more frequent and severe due to effects of global climate change and human alterations of the natural environment. Flood prediction/ forecasting and control is one of the greatest challenges facing the world today. The forecast of floods is achieved by the use of hydraulic models such as HEC-RAS, which are designed to simulate flow processes of the surface water. Extreme flood events in river Jhelum , lasting from a day to few are a major disaster in the State of Jammu and Kashmir, India. In the present study HEC-RAS model was applied to two different reaches of river Jhelum in order to estimate the flood levels corresponding to 25, 50 and 100 year return period flood events at important locations and to deduce flood vulnerability of important areas and structures. The flow rates for the two reaches were derived from flood-frequency analysis of 50 years of historic peak flow data. Manning's roughness coefficient n was selected using detailed analysis. Rating Curves were also generated to serve as base for determining the boundary conditions. Calibration and Validation procedures were applied in order to ensure the reliability of the model. Sensitivity analysis was also performed in order to ensure the accuracy of Manning's n in generating water surface profiles.

Keywords: flood plain, HEC-RAS, Jhelum, return period

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Authors: Zahra Abdolkarimi, Naser Zourikalatehsamad,

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Up to 40 years ago, after recognition of epilepsy, it was generally believed that these attacks occurred randomly and suddenly. However, thanks to the advance of mathematics and engineering, such attacks can be predicted within a few minutes or hours. In this way, various algorithms for long-term prediction of the time and frequency of the first attack are presented. In this paper, by considering the nonlinear nature of brain signals and dynamic recorded brain signals, ANFIS model is presented to predict the brain signals, since according to physiologic structure of the onset of attacks, more complex neural structures can better model the signal during attacks. Contribution of this work is the co-evolution algorithm for optimization of ANFIS network parameters. Our objective is to predict brain signals based on time series obtained from brain signals of the people suffering from epilepsy using ANFIS. Results reveal that compared to other methods, this method has less sensitivity to uncertainties such as presence of noise and interruption in recorded signals of the brain as well as more accuracy. Long-term prediction capacity of the model illustrates the usage of planted systems for warning medication and preventing brain signals.

Keywords: co-evolution algorithms, brain signals, time series, neural networks, ANFIS model, physiologic structure, time prediction, epilepsy suffering, illustrates model

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Authors: Sai Hung Cheung, Zhe Shao

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It is of our great interest to quantify the risk to structural dynamic systems due to earthquake-induced tsunamis in view of recent earthquake-induced tsunamis in Padang, 2004 and Tohoku, 2011 which brought huge losses of lives and properties. Despite continuous advancement in computational simulation of the tsunami and wave-structure interaction modeling, it still remains computationally challenging to evaluate the reliability of a structural dynamic system when uncertainties related to the system and its modeling are taken into account. The failure of the structure in a tsunami-wave-structural system is defined as any response quantities of the system exceeding specified thresholds during the time when the structure is subjected to dynamic wave impact due to earthquake-induced tsunamis. In this paper, an approach based on a novel integration of a recently proposed moving least squares response surface approach for stochastic sampling and the Subset Simulation algorithm is proposed. The effectiveness of the proposed approach is discussed by comparing its results with those obtained from the Subset Simulation algorithm without using the response surface approach.

Keywords: response surface, stochastic simulation, structural reliability tsunami, risk

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Authors: Sahar Jahani, Meryem Ayse Yucel, David Boas, Seyed Kamaledin Setarehdan

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Near-infrared spectroscopy allows monitoring of oxy- and deoxy-hemoglobin concentration changes associated with hemodynamic response function (HRF). HRF is usually affected by natural physiological hemodynamic (systemic interferences) which occur in all body tissues including brain tissue. This makes HRF extraction a very challenging task. In this study, we used Kalman filter based on a general linear model (GLM) of brain activity to define the proportion of systemic interference in the brain hemodynamic. The performance of the proposed algorithm is evaluated in terms of the peak to peak error (Ep), mean square error (MSE), and Pearson’s correlation coefficient (R2) criteria between the estimated and the simulated hemodynamic responses. This technique also has the ability of real time estimation of single trial functional activations as it was applied to classify finger tapping versus resting state. The average real-time classification accuracy of 74% over 11 subjects demonstrates the feasibility of developing an effective functional near infrared spectroscopy for brain computer interface purposes (fNIRS-BCI).

Keywords: hemodynamic response function, functional near-infrared spectroscopy, adaptive filter, Kalman filter

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Authors: Fatema Tasmia, Brishti Majumder, Atiqur Rahman

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Attaining appropriate comfort conditions in a place where the climate is hot and humid can be perplexing. Especially, when it is resided at a congested place like old Dhaka Bangladesh, the provision of giving cross ventilation and building with proper orientation is quite difficult. Courtyards are the part of buildings which are used as space for outdoor household activities, social gathering and it is also proved to have indoor thermal comfort as an effect of courtyard. This paper aims to investigate the effect of courtyard in indoor thermal environment of a room adjacent to the courtyard and a room next to transitional space after a courtyard through field measurements of a case study house. The field measurement was conducted in a two-storey house. Among different aspects of thermal environment, the study of this paper is based on the analysis of temperature in both situations. Ventilation or air movement was considered to have no impact because of the rooms’ layout and location. Other aspects and their variables were considered as constant (especially material) for accuracy and avoidance of confusion. This study focuses on the outcome that can ultimately contribute to the configuration of courtyards and in its relation to indoor space while achieving thermal comfort.

Keywords: courtyard, old Dhaka, temperature, thermal comfort, transitional space

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Authors: Shin-Ku Lee, Ming-Tsu Ho

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A newly proposed antireflective selector with shuffled structure is reported in this paper. The proposed idea is made of two different quarter wavelength (QW) slabs and numerically supported by the one-dimensional simulation results provided by the method of characteristics (MOC) to function as an antireflective selector. These two QW slabs are characterized by dielectric constants εᵣA and εᵣB, uniformly divided into N and N+1 pieces respectively which are then shuffled to form an antireflective plate with B(AB)N structure such that there is always one εᵣA piece between two εᵣB pieces. Another is A(BA)N structure where every εᵣB piece is sandwiched by two εᵣA pieces. Both proposed structures are numerically proved to function as QW plates. In order to allow maximum transmission through the proposed structures, the two dielectric constants are chosen to have the relation of (εᵣA)² = εᵣB > 1. The advantages of the proposed structures over the traditional anti-reflection coating techniques are two components with two thicknesses and to shuffle to form new QW structures. The design wavelength used to validate the proposed idea is 71 mm corresponding to a frequency about 4.225 GHz. The computational results are shown in both time and frequency domains revealing that the proposed structures produce minimum reflections around the frequency of interest.

Keywords: method of characteristics, quarter wavelength, anti-reflective plate, propagation of electromagnetic fields

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Authors: Ghasem Sharifi, Hamed Shahmohamadi Ousaloo, Milad Azimi, Mehran Mirshams

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The ever-increasing use of satellites demands a search for increasingly accurate and reliable pointing systems. Reaction wheels are rotating devices used commonly for the attitude control of the spacecraft since provide a wide range of torque magnitude and high reliability. The numerical modeling of this device can significantly enhance the accuracy of the satellite control in space. Modeling the wheel rotation in the presence of the various frictions is one of the critical parts of this approach. This paper presents a Dynamic Model Control of a Reaction Wheel (DMCR) in the current control mode. In current-mode, the required current is delivered to the coils in order to achieve the desired torque. During this research, all the friction parameters as viscous and coulomb, motor coefficient, resistance and voltage constant are identified. In order to model identification of a reaction wheel, numerous varying current commands apply on the particular wheel to verify the estimated model. All the parameters of DMCR are identified by classical Levenberg-Marquardt (CLM) optimization method. The experimental results demonstrate that the developed model has an appropriate precise and can be used in the satellite control simulation.

Keywords: experimental modeling, friction parameters, model identification, reaction wheel

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Authors: Tong He, Long Chen, Irag Mantegh, Wen-Fang Xie

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This paper proposes an image-based obstacle avoidance and tracking target identification strategy in GPS-degraded or GPS-denied environment for an Unmanned Aerial Vehicle (UAV). The traditional force algorithm for obstacle avoidance could produce local minima area, in which UAV cannot get away obstacle effectively. In order to eliminate it, an artificial potential approach based on harmonic potential is proposed to guide the UAV to avoid the obstacle by using the vision system. And image-based visual servoing scheme (IBVS) has been adopted to implement the proposed obstacle avoidance approach. In IBVS, the pixel accuracy is a key factor to realize the obstacle avoidance. In this paper, the deep reinforcement learning framework has been applied by reducing pixel errors through constant interaction between the environment and the agent. In addition, the combination of OpenTLD and Tensorflow based on neural network is used to identify the type of tracking target. Numerical simulation in Matlab and ROS GAZEBO show the satisfactory result in target identification and obstacle avoidance.

Keywords: image-based visual servoing, obstacle avoidance, tracking target identification, deep reinforcement learning, artificial potential approach, neural network

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Authors: Sundaram Arulmozhiraja, Kanade Shimizu, Yuta Yamamoto, Satoshi Ichikawa, Maenaka Katsumi, Hiroaki Tokiwa

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Drug discovery is shifting from small molecule based drugs targeting local active site to middle molecules (MM) targeting large, flat, and groove-shaped binding sites, for example, protein-protein interface because at least half of all targets assumed to be involved in human disease have been classified as “difficult to drug” with traditional small molecules. Hence, MMs such as peptides, natural products, glycans, nucleic acids with various high potent bioactivities become important targets for drug discovery programs in the recent years as they could be used for ‘undruggable” intracellular targets. Cell membrane permeability is one of the key properties of pharmacodynamically active MM drug compounds and so evaluating this property for the potential MMs is crucial. Computational prediction for cell membrane permeability of molecules is very challenging; however, recent advancement in the molecular dynamics simulations help to solve this issue partially. It is expected that MMs with high membrane permeability will enable drug discovery research to expand its borders towards intracellular targets. Further to understand the chemistry behind the permeability of MMs, it is necessary to investigate their conformational changes during the permeation through membrane and for that their interactions with the membrane field should be studied reliably because these interactions involve various non-bonding interactions such as hydrogen bonding, -stacking, charge-transfer, polarization dispersion, and non-classical weak hydrogen bonding. Therefore, parameters-based classical mechanics calculations are hardly sufficient to investigate these interactions rather, quantum mechanical (QM) calculations are essential. Fragment molecular orbital (FMO) method could be used for such purpose as it performs ab initio QM calculations by dividing the system into fragments. The present work is aimed to study the cell permeability of middle molecules using molecular dynamics simulations and FMO-QM calculations. For this purpose, a natural compound syringolin and its analogues were considered in this study. Molecular simulations were performed using NAMD and Gromacs programs with CHARMM force field. FMO calculations were performed using the PAICS program at the correlated Resolution-of-Identity second-order Moller Plesset (RI-MP2) level with the cc-pVDZ basis set. The simulations clearly show that while syringolin could not permeate the membrane, its selected analogues go through the medium in nano second scale. These correlates well with the existing experimental evidences that these syringolin analogues are membrane-permeable compounds. Further analyses indicate that intramolecular -stacking interactions in the syringolin analogues influenced their permeability positively. These intramolecular interactions reduce the polarity of these analogues so that they could permeate the lipophilic cell membrane. Conclusively, the cell membrane permeability of various middle molecules with potent bioactivities is efficiently studied using molecular dynamics simulations. Insight of this behavior is thoroughly investigated using FMO-QM calculations. Results obtained in the present study indicate that non-bonding intramolecular interactions such as hydrogen-bonding and -stacking along with the conformational flexibility of MMs are essential for amicable membrane permeation. These results are interesting and are nice example for this theoretical calculation approach that could be used to study the permeability of other middle molecules. This work was supported by Japan Agency for Medical Research and Development (AMED) under Grant Number 18ae0101047.

Keywords: fragment molecular orbital theory, membrane permeability, middle molecules, molecular dynamics simulation

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Authors: Ganga K. V. Prakhya, V. Karthigeyan

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The paper describes the influences of the fluid and structure interaction in concrete structures that support large oil platforms in the North Sea. The dynamic interaction of the fluid both in 2D and 3D are demonstrated through a Computational Fluid Dynamics analysis in the event of explosion following a gas leak inside of the concrete column. The structural response characteristics of the column in water under dynamic conditions are quite complex involving axial, radial and circumferential modes. Fluid structure interaction (FSI) modelling showed that there are some frequencies of the column in water which are not found for a column in air. For example, it was demonstrated that one of the axial breathing modes can never be simulated without the use of FSI models. The occurrence of a shift in magnitude and time of pressure from explosion following gas leak along the height of the shaft not only excited the modes of vibration involving breathing (axial), bending and squashing (radial) modes but also magnified the forces in the column. FSI models revealed that dynamic effects resulted in dynamic amplification of loads. The results are summarized from a detailed study that was carried out by the first author for the Offshore Safety Division of Health & Safety Executive United Kingdom.

Keywords: concrete, explosion, fluid structure interaction, offshore structures

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Authors: Cheng Fang, Lingwei Quan, Cunyue Lu

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Human pose estimation and tracking are to accurately identify and locate the positions of human joints in the video. It is a computer vision task which is of great significance for human motion recognition, behavior understanding and scene analysis. There has been remarkable progress on human pose estimation in recent years. However, more researches are needed for human pose tracking especially for online tracking. In this paper, a framework, called PoseSRPN, is proposed for online single-person pose estimation and tracking. We use Siamese network attaching a pose estimation branch to incorporate Single-person Pose Tracking (SPT) and Visual Object Tracking (VOT) into one framework. The pose estimation branch has a simple network structure that replaces the complex upsampling and convolution network structure with deconvolution. By augmenting the loss of fully convolutional Siamese network with the pose estimation task, pose estimation and tracking can be trained in one stage. Once trained, PoseSRPN only relies on a single bounding box initialization and producing human joints location. The experimental results show that while maintaining the good accuracy of pose estimation on COCO and PoseTrack datasets, the proposed method achieves a speed of 59 frame/s, which is superior to other pose tracking frameworks.

Keywords: computer vision, pose estimation, pose tracking, Siamese network

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Authors: Un-Hwan Park, Jun-Hyeok Heo, In-Sung Lee, Seong-Jin Cho, Tae-Hyeon Oh, Dae-Kyu Park

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Sound absorption coefficient is considered important when designing because noise affects emotion quality of car. It is designed with lots of experiment tunings in the field because it is unreliable to predict it for multi-layer material. In this paper, we present the design of sound absorption for automotive interior material with multiple layers using estimation software of sound absorption coefficient for reverberation chamber. Additionally, we introduce the method for estimation of physical properties required to predict sound absorption coefficient of car interior materials with multiple layers too. It is calculated by inverse algorithm. It is very economical to get information about physical properties without expensive equipment. Correlation test is carried out to ensure reliability for accuracy. The data to be used for the correlation is sound absorption coefficient measured in the reverberation chamber. In this way, it is considered economical and efficient to design automotive interior materials. And design optimization for sound absorption coefficient is also easy to implement when it is designed.

Keywords: sound absorption coefficient, optimization design, inverse algorithm, automotive interior material, multiple layers nonwoven, scaled reverberation chamber, sound impedance tubes

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Authors: Junjie Zhong, Kai Hong, Lei Wang

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Passage Retrieval (PR) plays an important role in many Natural Language Processing (NLP) tasks. Traditional efficient retrieval models relying on exact term-matching, such as TF-IDF or BM25, have nowadays been exceeded by pre-trained language models which match by semantics. Though they gain effectiveness, deep language models often require large memory as well as time cost. To tackle the trade-off between efficiency and effectiveness in PR, this paper proposes Graph Passage Retriever (GraphPR), a graph-based model inspired by the development of graph learning techniques. Different from existing works, GraphPR is end-to-end and integrates both term-matching information and semantics. GraphPR constructs a passage-level graph from BM25 retrieval results and trains a GCN-like model on the graph with graph-based objectives. Passages were regarded as nodes in the constructed graph and were embedded in dense vectors. PR can then be implemented using embeddings and a fast vector-similarity search. Experiments on a variety of real-world retrieval datasets show that the proposed model outperforms related models in several evaluation metrics (e.g., mean reciprocal rank, accuracy, F1-scores) while maintaining a relatively low query latency and memory usage.

Keywords: efficiency, effectiveness, graph learning, language model, passage retrieval, term-matching model

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Authors: Seyedeh Mandan Kazzazi, Elena Kranioti

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In the field of human osteology, sex estimation is an important step in developing biological profile. There are a number of methods that can be used to estimate the sex of human remains varying from visual assessments to metric analysis of sexually dimorphic traits. Teeth are one of the most durable physical elements in human body that can be used for this purpose. The present study investigated the utility of cervical measurements for sex estimation through discriminant analysis. The permanent molar teeth of 75 skeletons (28 females and 52 males) from Hasanlu site in North-western Iran were studied. Cervical mesiodistal and buccolingual measurements were taken from both maxillary and mandibular first and second molars. Discriminant analysis was used to evaluate the accuracy of each diameter in assessing sex. The results showed that males had statistically larger teeth than females for maxillary and mandibular molars and both measurements (P < 0.05). The range of classification rate was from (75.7% to 85.5%) for the original and cross-validated data. The most dimorphic teeth were maxillary and mandibular second molars providing 85.5% and 83.3% correct classification rate respectively. The data generated from the present study suggested that cervical mesiodistal and buccolingual measurements of the molar teeth can be useful and reliable for sex estimation in Iranian archaeological populations.

Keywords: cervical measurements, Hasanlu, premolars, sex estimation

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Authors: Hamid Ahmadi, Shadi Asoodeh

Abstract:

The fatigue life of tubular joints commonly found in offshore industry is not only dependent on the value of hot-spot stress (HSS), but is also significantly influenced by the through-the-thickness stress distribution characterized by the degree of bending (DoB). The determination of DoB values in a tubular joint is essential for improving the accuracy of fatigue life estimation using the stress-life (S–N) method and particularly for predicting the fatigue crack growth based on the fracture mechanics (FM) approach. In the present paper, data extracted from finite element (FE) analyses of tubular KT-joints, verified against experimental data and parametric equations, was used to investigate the effects of geometrical parameters on DoB values at the crown 0˚, saddle, and crown 180˚ positions along the weld toe of central brace in tubular KT-joints subjected to axial loading. Parametric study was followed by a set of nonlinear regression analyses to derive DoB parametric formulas for the fatigue analysis of KT-joints under axial loads. The tubular KT-joint is a quite common joint type found in steel offshore structures. However, despite the crucial role of the DoB in evaluating the fatigue performance of tubular joints, this paper is the first attempt to study and formulate the DoB values in KT-joints.

Keywords: tubular KT-joint, fatigue, degree of bending (DoB), axial loading, parametric formula

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Authors: Masoud Ghermezi

Abstract:

Studying the sheet metals is one of the most important research areas in the field of metal forming due to their extensive applications in the aerospace industries. A useful method for determining the forming limit of these materials and consequently preventing the rupture of sheet metals during the forming process is the use of the forming limit curve (FLC). In addition to specifying the forming limit, this curve also delineates a boundary for the allowed values of strain in sheet metal forming; these characteristics of the FLC along with its accuracy of computation and wide range of applications have made this curve the basis of research in the present paper. This study presents a new model that not only agrees with the results obtained from the above mentioned theory, but also eliminates its shortcomings. In this theory, like in the M-K theory, a thin sheet with an inhomogeneity as a gradient thickness reduction with a sinusoidal function has been chosen and subjected to two-dimensional stress. Through analytical evaluation, ultimately, a governing differential equation has been obtained. The numerical solution of this equation for the range of positive strains (stretched region) yields the results that agree with the results obtained from M-K theory. Also the solution of this equation for the range of negative strains (tension region) completes the FLC curve. The findings obtained by applying this equation on two alloys with the hardening exponents of 0.4 and 0.24 indicate the validity of the presented equation.

Keywords: sheet metal, metal forming, forming limit curve (FLC), M-K theory

Procedia PDF Downloads 365

Authors: Nursuhaili Najwa Masrol, Nur Hafizah Mohammed, Nur Nadhirah Rusyda Rosnan, Vijaya Subramaniam, Sim Choon Cheak

Abstract:

Replanting in oil palm cultivation is vital to enable the introduction of planting materials and provides an opportunity to improve the road, drainage, terrace design, and planting density. Oil palm replanting is fundamentally necessary every 25 years. The adoption of the digital replanting blueprint is imperative as it can assist the Malaysia Oil Palm industry in addressing challenges such as labour shortages and limited expertise related to replanting tasks. Effective replanting planning should commence at least 6 months prior to the actual replanting process. Therefore, this study will help to plan and design the replanting blueprint with high-precision translation on the ground. With the advancement of geospatial technology, it is now feasible to engage in thoroughly researched planning, which can help maximize the potential yield. A blueprint designed before replanting is to enhance management’s ability to optimize the planting program, address manpower issues, or even increase productivity. In terrace planting blueprints, geographic tools have been utilized to design the roads, drainages, terraces, and planting points based on the ARM standards. These designs are mapped with location information and undergo statistical analysis. The geospatial approach is essential in precision agriculture and ensuring an accurate translation of design to the ground by implementing high-accuracy technologies. In this study, geospatial and remote sensing technologies played a vital role. LiDAR data was employed to determine the Digital Elevation Model (DEM), enabling the precise selection of terraces, while ortho imagery was used for validation purposes. Throughout the designing process, Geographical Information System (GIS) tools were extensively utilized. To assess the design’s reliability on the ground compared with the current conventional method, high-precision GPS instruments like EOS Arrow Gold and HIPER VR GNSS were used, with both offering accuracy levels between 0.3 cm and 0.5cm. Nearest Distance Analysis was generated to compare the design with actual planting on the ground. The analysis revealed that it could not be applied to the roads due to discrepancies between actual roads and the blueprint design, which resulted in minimal variance. In contrast, the terraces closely adhered to the GPS markings, with the most variance distance being less than 0.5 meters compared to actual terraces constructed. Considering the required slope degrees for terrace planting, which must be greater than 6 degrees, the study found that approximately 65% of the terracing was constructed at a 12-degree slope, while over 50% of the terracing was constructed at slopes exceeding the minimum degrees. Utilizing blueprint replanting promising strategies for optimizing land utilization in agriculture. This approach harnesses technology and meticulous planning to yield advantages, including increased efficiency, enhanced sustainability, and cost reduction. From this study, practical implementation of this technique can lead to tangible and significant improvements in agricultural sectors. In boosting further efficiencies, future initiatives will require more sophisticated techniques and the incorporation of precision GPS devices for upcoming blueprint replanting projects besides strategic progression aims to guarantee the precision of both blueprint design stages and its subsequent implementation on the field. Looking ahead, automating digital blueprints are necessary to reduce time, workforce, and costs in commercial production.

Keywords: replanting, geospatial, precision agriculture, blueprint

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Authors: Abas Mohsenzadeh, Tariq Bashir, Waseen Tahir, Ulf Stigh, Mikael Skrifvars, Kim Bolton

Abstract:

The area of artificial muscles has received significant attention from many research domains including soft robotics, biomechanics and smart textiles in recent years. Poly(vinylidene fluoride) (PVDF) has been used to form artificial muscles since it contracts upon heating when under load. In this study, PVDF fibers were produced by melt spinning technique at different solid state draw ratios and then actuation mechanism for PVDF tie molecules within the semicrystalline region of PVDF polymer has been investigated using molecular dynamics simulations. Tie molecules are polymer chains that link two (or more) crystalline regions in semicrystalline polymers. The changes in fiber length upon heating have been investigated using a novel simulation technique. The results show that conformational changes of the tie molecules from the longer all-trans conformation at low temperature (β structure) to the shorter conformation (α structure) at higher temperature accrue by increasing the temperature. These results may be applied to understand the actuation observed for PVDF upon heating.

Keywords: poly(vinylidene fluoride), molecular dynamics, simulation, actuators, tie molecules, semicrystalline

Procedia PDF Downloads 308

Authors: E. Livya, G. Anitha, P. Valli

Abstract:

The main objective of aircraft aerodynamics is to enhance the aerodynamic characteristics and maneuverability of the aircraft. This enhancement includes the reduction in drag and stall phenomenon. The airfoil which contains dimples will have comparatively less drag than the plain airfoil. Introducing dimples on the aircraft wing will create turbulence by creating vortices which delays the boundary layer separation resulting in decrease of pressure drag and also increase in the angle of stall. In addition, wake reduction leads to reduction in acoustic emission. The overall objective of this paper is to improve the aircraft maneuverability by delaying the flow separation point at stall and thereby reducing the drag by applying the dimple effect over the aircraft wing. This project includes both computational and experimental analysis of dimple effect on aircraft wing, using NACA 0018 airfoil. Dimple shapes of Semi-sphere, hexagon, cylinder, square are selected for the analysis; airfoil is tested under the inlet velocity of 30m/s at different angle of attack (5˚, 10˚, 15˚, 20˚, and 25˚). This analysis favours the dimple effect by increasing L/D ratio and thereby providing the maximum aerodynamic efficiency, which provides the enhanced performance for the aircraft.

Keywords: airfoil, dimple effect, turbulence, boundary layer separation

Procedia PDF Downloads 533