Search results for: Ab initio heuristic modeling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4067

Search results for: Ab initio heuristic modeling

4067 Protein Tertiary Structure Prediction by a Multiobjective Optimization and Neural Network Approach

Authors: Alexandre Barbosa de Almeida, Telma Woerle de Lima Soares

Abstract:

Protein structure prediction is a challenging task in the bioinformatics field. The biological function of all proteins majorly relies on the shape of their three-dimensional conformational structure, but less than 1% of all known proteins in the world have their structure solved. This work proposes a deep learning model to address this problem, attempting to predict some aspects of the protein conformations. Throughout a process of multiobjective dominance, a recurrent neural network was trained to abstract the particular bias of each individual multiobjective algorithm, generating a heuristic that could be useful to predict some of the relevant aspects of the three-dimensional conformation process formation, known as protein folding.

Keywords: Ab initio heuristic modeling, multiobjective optimization, protein structure prediction, recurrent neural network

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4066 Coding Considerations for Standalone Molecular Dynamics Simulations of Atomistic Structures

Authors: R. O. Ocaya, J. J. Terblans

Abstract:

The laws of Newtonian mechanics allow ab-initio molecular dynamics to model and simulate particle trajectories in material science by defining a differentiable potential function. This paper discusses some considerations for the coding of ab-initio programs for simulation on a standalone computer and illustrates the approach by C language codes in the context of embedded metallic atoms in the face-centred cubic structure. The algorithms use velocity-time integration to determine particle parameter evolution for up to several thousands of particles in a thermodynamical ensemble. Such functions are reusable and can be placed in a redistributable header library file. While there are both commercial and free packages available, their heuristic nature prevents dissection. In addition, developing own codes has the obvious advantage of teaching techniques applicable to new problems.

Keywords: C language, molecular dynamics, simulation, embedded atom method

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4065 Heuristic to Generate Random X-Monotone Polygons

Authors: Kamaljit Pati, Manas Kumar Mohanty, Sanjib Sadhu

Abstract:

A heuristic has been designed to generate a random simple monotone polygon from a given set of ‘n’ points lying on a 2-Dimensional plane. Our heuristic generates a random monotone polygon in O(n) time after O(nℓogn) preprocessing time which is improved over the previous work where a random monotone polygon is produced in the same O(n) time but the preprocessing time is O(k) for n < k < n2. However, our heuristic does not generate all possible random polygons with uniform probability. The space complexity of our proposed heuristic is O(n).

Keywords: sorting, monotone polygon, visibility, chain

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4064 A Combined Meta-Heuristic with Hyper-Heuristic Approach to Single Machine Production Scheduling Problem

Authors: C. E. Nugraheni, L. Abednego

Abstract:

This paper is concerned with minimization of mean tardiness and flow time in a real single machine production scheduling problem. Two variants of genetic algorithm as meta-heuristic are combined with hyper-heuristic approach are proposed to solve this problem. These methods are used to solve instances generated with real world data from a company. Encouraging results are reported.

Keywords: hyper-heuristics, evolutionary algorithms, production scheduling, meta-heuristic

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4063 A Heuristic Approach for the General Flowshop Scheduling Problem to Minimize the Makespan

Authors: Mohsen Ziaee

Abstract:

Almost all existing researches on the flowshop scheduling problems focus on the permutation schedules and there is insufficient study dedicated to the general flowshop scheduling problems in the literature, since the modeling and solving of the general flowshop scheduling problems are more difficult than the permutation ones, especially for the large-size problem instances. This paper considers the general flowshop scheduling problem with the objective function of the makespan (F//Cmax). We first find the optimal solution of the problem by solving a mixed integer linear programming model. An efficient heuristic method is then presented to solve the problem. An ant colony optimization algorithm is also proposed for the problem. In order to evaluate the performance of the methods, computational experiments are designed and performed. Numerical results show that the heuristic algorithm can result in reasonable solutions with low computational effort and even achieve optimal solutions in some cases.

Keywords: scheduling, general flow shop scheduling problem, makespan, heuristic

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4062 Schedule a New Production Plan by Heuristic Methods

Authors: Hanife Merve Öztürk, Sıdıka Dalgan

Abstract:

In this project, a capacity analysis study is done at TAT A. Ş. Maret Plant. Production capacity of products which generate 80% of sales amount are determined. Obtained data entered the LEKIN Scheduling Program and we get production schedules by using heuristic methods. Besides heuristic methods, as mathematical model, disjunctive programming formulation is adapted to flexible job shop problems by adding a new constraint to find optimal schedule solution.

Keywords: scheduling, flexible job shop problem, shifting bottleneck heuristic, mathematical modelling

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4061 Modeling and Optimization of Nanogenerator for Energy Harvesting

Authors: Fawzi Srairi, Abderrahmane Dib

Abstract:

Recently, the desire for a self-powered micro and nanodevices has attracted a great interest of using sustainable energy sources. Further, the ultimate goal of nanogenerator is to harvest energy from the ambient environment in which a self-powered device based on these generators is needed. With the development of nanogenerator-based circuits design and optimization, the building of new device simulator is necessary for the study and the synthesis of electromechanical parameters of this type of models. In the present article, both numerical modeling and optimization of piezoelectric nanogenerator based on zinc oxide have been carried out. They aim to improve the electromechanical performances, robustness, and synthesis process for nanogenerator. The proposed model has been developed for a systematic study of the nanowire morphology parameters in stretching mode. In addition, heuristic optimization technique, namely, particle swarm optimization has been implemented for an analytic modeling and an optimization of nanogenerator-based process in stretching mode. Moreover, the obtained results have been tested and compared with conventional model where a good agreement has been obtained for excitation mode. The developed nanogenerator model can be generalized, extended and integrated into simulators devices to study nanogenerator-based circuits.

Keywords: electrical potential, heuristic algorithms, numerical modeling, nanogenerator

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4060 Heuristic Evaluation of Children’s Authoring Tool for Game Making

Authors: Laili Farhana Md Ibharim, Maizatul Hayati Mohamad Yatim

Abstract:

The main purpose of this study is to evaluate the heuristic inspection of children’s authoring tools to develop games. The researcher has selected 15 authoring tools for making games specifically for educational purposes. Nine students from Diploma of Game Design and Development course and four lecturers from the computing department involved in this evaluation. A set of usability heuristic checklist used as a guideline for the students and lecturers to observe and test the authoring tools selected. The study found that there are just a few authoring tools that fulfill most of the heuristic requirement and suitable to apply to children. In this evaluation, only six out of fifteen authoring tools have passed above than five elements in the heuristic inspection checklist. The researcher identified that in order to develop a usable authoring tool developer has to emphasis children acceptance and interaction of the authoring tool. Furthermore, the authoring tool can be a tool to enhance their mental development especially in creativity and skill.

Keywords: authoring tool, children, game making, heuristic

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4059 Improving the Global Competitiveness of SMEs by Logistics Transportation Management: Case Study Chicken Meat Supply Chain

Authors: P. Vanichkobchinda

Abstract:

The Logistics Transportation techniques, Open Vehicle Routing (OVR) is an approach toward transportation cost reduction, especially for long distance pickup and delivery nodes. The outstanding characteristic of OVR is that the route starting node and ending node are not necessary the same as in typical vehicle routing problems. This advantage enables the routing to flow continuously and the vehicle does not always return to its home base. This research aims to develop a heuristic for the open vehicle routing problem with pickup and delivery under time window and loading capacity constraints to minimize the total distance. The proposed heuristic is developed based on the Insertion method, which is a simple method and suitable for the rapid calculation that allows insertion of the new additional transportation requirements along the original paths. According to the heuristic analysis, cost comparisons between the proposed heuristic and companies are using method, nearest neighbor method show that the insertion heuristic. Moreover, the proposed heuristic gave superior solutions in all types of test problems. In conclusion, the proposed heuristic can effectively and efficiently solve the open vehicle routing. The research indicates that the improvement of new transport's calculation and the open vehicle routing with "Insertion Heuristic" represent a better outcome with 34.3 percent in average. in cost savings. Moreover, the proposed heuristic gave superior solutions in all types of test problems. In conclusion, the proposed heuristic can effectively and efficiently solve the open vehicle routing.

Keywords: business competitiveness, cost reduction, SMEs, logistics transportation, VRP

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4058 Ab Initio Spectroscopic Study of the Electronic Properties of the (Bana)+ Molecular Ion

Authors: Tahani H. Alluhaybi, Leila Mejrissi

Abstract:

In the present theoretical study, we investigated adiabatically the electronic structure of the (BaNa)+ by the use of the ab initio calculation. We optimized a large atomic GTO basis set for Na and Ba atoms. The (BaNa)+ molecular ion is considered a two-electron thank to a non-empirical pseudo-potentials approach applied to Ba and Na cores with the Core Polarization Potentials operator (CPP). Then, we performed the Full Configuration Interaction (FCI) method. Accordingly, we calculated the adiabatic Potential Energy Curves (PECs) and their spectroscopic constants (well depth De, transition energies Te, the equilibrium distances Re, vibrational constant ⍵e, and anharmonic constant ⍵exe) for 10 electronic states in Σ+ symmetry. Then we determined the vibrational level energies and their spacing, and the electric Permanent Dipole Moments (PDM).

Keywords: Ab initio, dipole moment, non-empirical pseudo-potential, potential energy curves, spectroscopic constants, vibrational energy

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4057 Heuristic for Scheduling Correlated Parallel Machine to Minimize Maximum Lateness and Total Weighed Completion Time

Authors: Yang-Kuei Lin, Yun-Xi Zhang

Abstract:

This research focuses on the bicriteria correlated parallel machine scheduling problem. The two objective functions considered in this problem are to minimize maximum lateness and total weighted completion time. We first present a mixed integer programming (MIP) model that can find the entire efficient frontier for the studied problem. Next, we have proposed a bicriteria heuristic that can find non-dominated solutions for the studied problem. The performance of the proposed bicriteria heuristic is compared with the efficient frontier generated by solving the MIP model. Computational results indicate that the proposed bicriteria heuristic can solve the problem efficiently and find a set of diverse solutions that are uniformly distributed along the efficient frontier.

Keywords: bicriteria, correlated parallel machines, heuristic, scheduling

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4056 Accurate Binding Energy of Ytterbium Dimer from Ab Initio Calculations and Ultracold Photoassociation Spectroscopy

Authors: Giorgio Visentin, Alexei A. Buchachenko

Abstract:

Recent proposals to use Yb dimer as an optical clock and as a sensor for non-Newtonian gravity imply the knowledge of its interaction potential. Here, the ground-state Born-Oppenheimer Yb₂ potential energy curve is represented by a semi-analytical function, consisting of short- and long-range contributions. For the former, the systematic ab initio all-electron exact 2-component scalar-relativistic CCSD(T) calculations are carried out. Special care is taken to saturate diffuse basis set component with the atom- and bond-centered primitives and reach the complete basis set limit through n = D, T, Q sequence of the correlation-consistent polarized n-zeta basis sets. Similar approaches are used to the long-range dipole and quadrupole dispersion terms by implementing the CCSD(3) polarization propagator method for dynamic polarizabilities. Dispersion coefficients are then computed through Casimir-Polder integration. The semiclassical constraint on the number of the bound vibrational levels known for the ¹⁷⁴Yb isotope is used to scale the potential function. The scaling, based on the most accurate ab initio results, bounds the interaction energy of two Yb atoms within the narrow 734 ± 4 cm⁻¹ range, in reasonable agreement with the previous ab initio-based estimations. The resulting potentials can be used as the reference for more sophisticated models that go beyond the Born-Oppenheimer approximation and provide the means of their uncertainty estimations. The work is supported by Russian Science Foundation grant # 17-13-01466.

Keywords: ab initio coupled cluster methods, interaction potential, semi-analytical function, ytterbium dimer

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4055 Electronic, Structure and Magnetic Properties of KXF3(X= Fe, Co, Mn, V) from Ab Initio Calculations

Authors: M. Ibrir, S. Berri, S. Lakel, D. Maouche And Y. Medkour

Abstract:

We have performed first-principle calculations of the structural, electronic and magnetic properties of KFeF3, KCoF3, KMnF3, KVF3, using full-potential linearized augmented plane-wave (FP-LAPW) scheme within GGA. Features such as the lattice constant, bulk modulus and its pressure derivative are reported. Also, we have presented our results of the band structure and the density of states. The magnetic moments of KFeF3, KCoF3, KMnF3, KVF3 compounds are in most came from the exchange-splitting of X-3d orbital.

Keywords: Ab initio calculations, electronic structure, magnetic materials

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4054 Ab Initio Approach to Generate a Binary Bulk Metallic Glass Foam

Authors: Jonathan Galvan-Colin, Ariel Valladares, Renela Valladares, Alexander Valladares

Abstract:

Both porous materials and bulk metallic glasses have been studied due to their potential applications and their exceptional physical and chemical properties. However, each material presents certain drawbacks which have been thought to be overcome by generating bulk metallic glass foams (BMGF). Although some experimental reports have been performed on multicomponent BMGF, still no ab initio works have been published, as far as we know. We present an approach based on the expanding lattice (EL) method to generate binary amorphous nanoporous Cu64Zr36. Starting from two different configurations: a 108-atom crystalline cubic supercell (cCu64Zr36) and a 108-atom amorphous supercell (aCu64Zr36), both with an initial density of 8.06 g/cm3, we applied EL method to halve the density and to get 50% of porosity. After the lattice expansion the supercells were subject to ab initio molecular dynamics for 500 steps at constant room temperature. Then, the samples were geometry-optimized and characterized with the pair and radial distribution functions, bond-angle distributions and a coordination number analysis. We found that pores appeared along specific spatial directions different from one to another and that they differed in size and form as well, which we think is related to the initial structure. Due to the lack of experimental counterparts our results should be considered predictive and further studies are needed in order to handle a larger number of atoms and its implication on pore topology.

Keywords: ab initio molecular dynamics, bulk mettalic glass, porous alloy

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4053 A Heuristic for the Integrated Production and Distribution Scheduling Problem

Authors: Christian Meinecke, Bernd Scholz-Reiter

Abstract:

The integrated problem of production and distribution scheduling is relevant in many industrial applications. Thus, many heuristics to solve this integrated problem have been developed in the last decade. Most of these heuristics use a sequential working principal or a single decomposition and integration approach to separate and solve sub-problems. A heuristic using a multi-step decomposition and integration approach is presented in this paper and evaluated in a case study. The result show significant improved results compared with sequential scheduling heuristics.

Keywords: production and outbound distribution, integrated planning, heuristic, decomposition, integration

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4052 An Approach to Improve Pre University Students' Responsible Environmental Behaviour through Science Writing Heuristic in Malaysia

Authors: Sheila Shamuganathan, Mageswary Karpudewan

Abstract:

This study investigated the effectiveness of green chemistry integrated with Science Writing Heuristic (SWH) in enhancing matriculation students’ responsible environmental behaviour. For this purpose 207 matriculation students were randomly assigned into experimental (N=118) and control (N=89) group. For the experimental group the chemistry concepts were taught using the instructional approach of green chemistry integrated with Science Writing Heuristic (SWH) while for the control group the same content was taught using green chemistry. The data was analysed using ANCOVA and findings obtained from the quantitative analysis reveals that there is significant changes in responsible environmental behaviour (F 1,204) = 32.13 (ηp² = 0.14) which favours the experimental group. The responses of the qualitative data obtained from an interview with the experimental group also further strengthen and indicated a significant improvement in responsible environmental behaviour. The outcome of the study suggests that using green chemistry integrated with Science Writing Heuristic (SWH) could be an alternative approach to improve students’ responsible environmental behaviour towards the environment.

Keywords: science writing heuristic, green chemistry, pro environmental behaviour, laboratory

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4051 Molecular Electrostatic Potential in Z-3N(2-Ethoxyphenyl), 2-N'(2-Ethoxyphenyl) Imino Thiazolidin-4-one Molecule by Ab Initio and DFT Methods

Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui

Abstract:

In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: DFT, ab initio, HOMO-LUMO, organic compounds

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4050 Extension of a Competitive Location Model Considering a Given Number of Servers and Proposing a Heuristic for Solving

Authors: Mehdi Seifbarghy, Zahra Nasiri

Abstract:

Competitive location problem deals with locating new facilities to provide a service (or goods) to the customers of a given geographical area where other facilities (competitors) offering the same service are already present. The new facilities will have to compete with the existing facilities for capturing the market share. This paper proposes a new model to maximize the market share in which customers choose the facilities based on traveling time, waiting time and attractiveness. The attractiveness of a facility is considered as a parameter in the model. A heuristic is proposed to solve the problem.

Keywords: competitive location, market share, facility attractiveness, heuristic

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4049 Electronic States at SnO/SnO2 Heterointerfaces

Authors: A. Albar, U. Schwingenschlogel

Abstract:

Device applications of transparent conducting oxides require a thorough understanding of the physical and chemical properties of the involved interfaces. We use ab-initio calculations within density functional theory to investigate the electronic states at the SnO/SnO2 hetero-interface. Tin dioxide and monoxide are transparent materials with high n-type and p-type mobilities, respectively. This work aims at exploring the modifications of the electronic states, in particular the charge transfer, in the vicinity of the hetero-interface. The (110) interface is modeled by a super-cell approach in order to minimize the mismatch between the lattice parameters of the two compounds. We discuss the electronic density of states as a function of the distance to the interface.

Keywords: density of states, ab-initio calculations, interface states, charge transfer

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4048 Curve Fitting by Cubic Bezier Curves Using Migrating Birds Optimization Algorithm

Authors: Mitat Uysal

Abstract:

A new met heuristic optimization algorithm called as Migrating Birds Optimization is used for curve fitting by rational cubic Bezier Curves. This requires solving a complicated multivariate optimization problem. In this study, the solution of this optimization problem is achieved by Migrating Birds Optimization algorithm that is a powerful met heuristic nature-inspired algorithm well appropriate for optimization. The results of this study show that the proposed method performs very well and being able to fit the data points to cubic Bezier Curves with a high degree of accuracy.

Keywords: algorithms, Bezier curves, heuristic optimization, migrating birds optimization

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4047 Two Efficient Heuristic Algorithms for the Integrated Production Planning and Warehouse Layout Problem

Authors: Mohammad Pourmohammadi Fallah, Maziar Salahi

Abstract:

In the literature, a mixed-integer linear programming model for the integrated production planning and warehouse layout problem is proposed. To solve the model, the authors proposed a Lagrangian relax-and-fix heuristic that takes a significant amount of time to stop with gaps above 5$\%$ for large-scale instances. Here, we present two heuristic algorithms to solve the problem. In the first one, we use a greedy approach by allocating warehouse locations with less reservation costs and also less transportation costs from the production area to locations and from locations to the output point to items with higher demands. Then a smaller model is solved. In the second heuristic, first, we sort items in descending order according to the fraction of the sum of the demands for that item in the time horizon plus the maximum demand for that item in the time horizon and the sum of all its demands in the time horizon. Then we categorize the sorted items into groups of 3, 4, or 5 and solve a small-scale optimization problem for each group, hoping to improve the solution of the first heuristic. Our preliminary numerical results show the effectiveness of the proposed heuristics.

Keywords: capacitated lot-sizing, warehouse layout, mixed-integer linear programming, heuristics algorithm

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4046 Order Picking Problem: An Exact and Heuristic Algorithms for the Generalized Travelling Salesman Problem With Geographical Overlap Between Clusters

Authors: Farzaneh Rajabighamchi, Stan van Hoesel, Christof Defryn

Abstract:

The generalized traveling salesman problem (GTSP) is an extension of the traveling salesman problem (TSP) where the set of nodes is partitioned into clusters, and the salesman must visit exactly one node per cluster. In this research, we apply the definition of the GTSP to an order picker routing problem with multiple locations per product. As such, each product represents a cluster and its corresponding nodes are the locations at which the product can be retrieved. To pick a certain product item from the warehouse, the picker needs to visit one of these locations during its pick tour. As all products are scattered throughout the warehouse, the product clusters not separated geographically. We propose an exact LP model as well as heuristic and meta-heuristic solution algorithms for the order picking problem with multiple product locations.

Keywords: warehouse optimization, order picking problem, generalised travelling salesman problem, heuristic algorithm

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4045 Comparison of Heuristic Methods for Solving Traveling Salesman Problem

Authors: Regita P. Permata, Ulfa S. Nuraini

Abstract:

Traveling Salesman Problem (TSP) is the most studied problem in combinatorial optimization. In simple language, TSP can be described as a problem of finding a minimum distance tour to a city, starting and ending in the same city, and exactly visiting another city. In product distribution, companies often get problems in determining the minimum distance that affects the time allocation. In this research, we aim to apply TSP heuristic methods to simulate nodes as city coordinates in product distribution. The heuristics used are sub tour reversal, nearest neighbor, farthest insertion, cheapest insertion, nearest insertion, and arbitrary insertion. We have done simulation nodes using Euclidean distances to compare the number of cities and processing time, thus we get optimum heuristic method. The results show that the optimum heuristic methods are farthest insertion and nearest insertion. These two methods can be recommended to solve product distribution problems in certain companies.

Keywords: Euclidean, heuristics, simulation, TSP

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4044 Ab-Initio Study of Native Defects in SnO Under Strain

Authors: A. Albar, D. B. Granato, U. Schwingenschlogl

Abstract:

Tin monoxide (SnO) has promising properties to be applied as a p-type semiconductor in transparent electronics. To this end, it is necessary to understand the behavior of defects in order to control them. We use density functional theory to study native defects of SnO under tensile and compressive strain. We show that Sn vacancies are more stable under tension and less stable under compression, irrespectively of the charge state. In contrast, O vacancies behave differently for different charge. It turns out that the most stable defect under compression is the +1 charged O vacancy in a Sn-rich environment and the charge neutral O interstitial in an O-rich environment. Therefore, compression can be used to transform SnO from an n-type into un-doped semiconductor.

Keywords: native defects, ab-initio, point defect, tension, compression, semiconductor

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4043 Optimal Planning of Dispatchable Distributed Generators for Power Loss Reduction in Unbalanced Distribution Networks

Authors: Mahmoud M. Othman, Y. G. Hegazy, A. Y. Abdelaziz

Abstract:

This paper proposes a novel heuristic algorithm that aims to determine the best size and location of distributed generators in unbalanced distribution networks. The proposed heuristic algorithm can deal with the planning cases where power loss is to be optimized without violating the system practical constraints. The distributed generation units in the proposed algorithm is modeled as voltage controlled node with the flexibility to be converted to constant power factor node in case of reactive power limit violation. The proposed algorithm is implemented in MATLAB and tested on the IEEE 37 -node feeder. The results obtained show the effectiveness of the proposed algorithm.

Keywords: distributed generation, heuristic approach, optimization, planning

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4042 Application of Heuristic Integration Ant Colony Optimization in Path Planning

Authors: Zeyu Zhang, Guisheng Yin, Ziying Zhang, Liguo Zhang

Abstract:

This paper mainly studies the path planning method based on ant colony optimization (ACO), and proposes heuristic integration ant colony optimization (HIACO). This paper not only analyzes and optimizes the principle, but also simulates and analyzes the parameters related to the application of HIACO in path planning. Compared with the original algorithm, the improved algorithm optimizes probability formula, tabu table mechanism and updating mechanism, and introduces more reasonable heuristic factors. The optimized HIACO not only draws on the excellent ideas of the original algorithm, but also solves the problems of premature convergence, convergence to the sub optimal solution and improper exploration to some extent. HIACO can be used to achieve better simulation results and achieve the desired optimization. Combined with the probability formula and update formula, several parameters of HIACO are tested. This paper proves the principle of the HIACO and gives the best parameter range in the research of path planning.

Keywords: ant colony optimization, heuristic integration, path planning, probability formula

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4041 A Hybrid Heuristic for the Team Orienteering Problem

Authors: Adel Bouchakhchoukha, Hakim Akeb

Abstract:

In this work, we propose a hybrid heuristic in order to solve the Team Orienteering Problem (TOP). Given a set of points (or customers), each with associated score (profit or benefit), and a team that has a fixed number of members, the problem to solve is to visit a subset of points in order to maximize the total collected score. Each member performs a tour starting at the start point, visiting distinct customers and the tour terminates at the arrival point. In addition, each point is visited at most once, and the total time in each tour cannot be greater than a given value. The proposed heuristic combines beam search and a local optimization strategy. The algorithm was tested on several sets of instances and encouraging results were obtained.

Keywords: team orienteering problem, vehicle routing, beam search, local search

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4040 First Principle Calculation of The Magnetic Properties of Mn-doped 6H-SiC

Authors: M. Al Azri, M. Elzain, K. Bouziane, S. M. Chérif

Abstract:

The electronic and magnetic properties of 6H-SiC with Mn impurities have been calculated using ab-initio calculations. Various configurations of Mn sites and Si and C vacancies were considered. The magnetic coupling between the two Mn atoms at substitutional and interstitials sites with and without vacancies is studied as a function of Mn atoms interatomic distance. It was found that the magnetic interaction energy decreases with increasing distance between the magnetic atoms. The energy levels appearing in the band gap due to vacancies and due to Mn impurities are determined. The calculated DOS’s are used to analyze the nature of the exchange interaction between the impurities. The band coupling model based on the p-d and d-d level repulsions between Mn and SiC has been used to describe the magnetism observed in each configuration. Furthermore, the impacts of applying U to Mn-d orbital on the magnetic moment have also been investigated. The results are used to understand the experimental data obtained on Mn- 6H-SiC (as-implanted and as –annealed) for various Mn concentration (CMn = 0.7%, 1.6%, 7%).

Keywords: ab-initio calculations, diluted magnetic semiconductors, magnetic properties, silicon carbide

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4039 Ab initio Simulation of Y2O3 -Doped Cerium Using Heyd–Scuseria–Ernzerhof HSE Hybrid Functional and DFT+U Approaches

Authors: M. Taibeche, L. Guerbous, M. Kechouane, R. Nedjar, T. Zergoug

Abstract:

It is known that Y2O3 Material is the most important among the sesquioxides within the general class of refractory ceramics. Indeed, this compound has many applications such as sintering optical windows, components for rare-earth doped lasers as well as inorganic scintillators in the detection scintillation. In particular Eu2+ and Ce3+ are favored dopants in many the scintillators due to its allowed optical 5d-4f transition. In this work, we present new results concerning structural and electronic properties of Ce-doped Y2O3, investigated by density functional theory (DFT), using the Heyd–Scuseria–Ernzerhof (HSE) hybrid functional and DFT+U two approaches. When, we compared the results from the two methods we obtain a good agreement available experimental data. Furthermore, the effect of cerium on the material has also been studied and discussed in the same framework.

Keywords: DFT, vienne ab initio simulation packages, scintillators, Heyd–Scuseria–Ernzerhof (HSE) hybrid functional

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4038 Design and Optimization of Open Loop Supply Chain Distribution Network Using Hybrid K-Means Cluster Based Heuristic Algorithm

Authors: P. Suresh, K. Gunasekaran, R. Thanigaivelan

Abstract:

Radio frequency identification (RFID) technology has been attracting considerable attention with the expectation of improved supply chain visibility for consumer goods, apparel, and pharmaceutical manufacturers, as well as retailers and government procurement agencies. It is also expected to improve the consumer shopping experience by making it more likely that the products they want to purchase are available. Recent announcements from some key retailers have brought interest in RFID to the forefront. A modified K- Means Cluster based Heuristic approach, Hybrid Genetic Algorithm (GA) - Simulated Annealing (SA) approach, Hybrid K-Means Cluster based Heuristic-GA and Hybrid K-Means Cluster based Heuristic-GA-SA for Open Loop Supply Chain Network problem are proposed. The study incorporated uniform crossover operator and combined crossover operator in GAs for solving open loop supply chain distribution network problem. The algorithms are tested on 50 randomly generated data set and compared with each other. The results of the numerical experiments show that the Hybrid K-means cluster based heuristic-GA-SA, when tested on 50 randomly generated data set, shows superior performance to the other methods for solving the open loop supply chain distribution network problem.

Keywords: RFID, supply chain distribution network, open loop supply chain, genetic algorithm, simulated annealing

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