Search results for: quality performance measurement

Authors: Akram Golestani, Mohammad Kazemeini, Farhad Khorasheh, Moslem Fattahi

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Modeling and simulation of fixed bed three-phase catalytic reactors are considered for wet air catalytic oxidation of phenol to perform a comparative numerical analysis between tricklebed and packed-bubble column reactors. The modeling involves material balances both for the catalyst particle as well as for different fluid phases. Catalyst deactivation is also considered in a transient reactor model to investigate the effects of various parameters including reactor temperature on catalyst deactivation. The simulation results indicated that packed-bubble columns were slightly superior in performance than trickle beds. It was also found that reaction temperature was the most effective parameter in catalyst deactivation.

Keywords: Catalyst deactivation, Catalytic wet air oxidation, Trickle-bed, Wastewater.

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Authors: Oscar E. Ruiz, Carlos Cadavid, Juan G. Lalinde, Ricardo Serrano, Guillermo Peris-Fajarnes

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The Boundary Representation of a 3D manifold contains FACES (connected subsets of a parametric surface S : R2 -! R3). In many science and engineering applications it is cumbersome and algebraically difficult to deal with the polynomial set and constraints (LOOPs) representing the FACE. Because of this reason, a Piecewise Linear (PL) approximation of the FACE is needed, which is usually represented in terms of triangles (i.e. 2-simplices). Solving the problem of FACE triangulation requires producing quality triangles which are: (i) independent of the arguments of S, (ii) sensitive to the local curvatures, and (iii) compliant with the boundaries of the FACE and (iv) topologically compatible with the triangles of the neighboring FACEs. In the existing literature there are no guarantees for the point (iii). This article contributes to the topic of triangulations conforming to the boundaries of the FACE by applying the concept of parameterindependent Gabriel complex, which improves the correctness of the triangulation regarding aspects (iii) and (iv). In addition, the article applies the geometric concept of tangent ball to a surface at a point to address points (i) and (ii). Additional research is needed in algorithms that (i) take advantage of the concepts presented in the heuristic algorithm proposed and (ii) can be proved correct.

Keywords: surface triangulation, conforming triangulation, surfacesampling, Gabriel complex.

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Authors: B. Singh, A. Singh, R. C. Yadav

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Utmost care of human related issues are essentially required for sustainable growth of micro, small and medium enterprises (MSMEs) of India, as these MSMEs are contributing enormously to socio-economic development of country. In this research, aspects related to human factors and functioning of MSMEs of India were studied. The investigation, based on a survey of 84 MSMEs of India cited that the enterprises are mostly employing unskilled labor whose wages are less with poor training. In spite of reported minor accidents, attention towards safety is poorly paid. To meet-out the production target, MSMEs generally employ over-time and payment towards this overtime is sometimes missing. Hence, honest and humanitarian attention for better human resources is needed to improve the performance and competitiveness of MSMEs of India.

Keywords: Human factors, Small and medium enterprises, Working culture.

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Authors: N. Choosri, N. Swadchaipong, T. Utistham, U. W. Hartley

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Performance of a cobalt doped sol-gel derived silica (Co/SiO2) catalyst for Fischer–Tropsch synthesis (FTS) in slurryphase reactor was studied using paraffin wax as initial liquid media. The reactive mixed gas, hydrogen (H2) and carbon monoxide (CO) in a molar ratio of 2:1, was flowed at 50 ml/min. Braunauer-Emmett- Teller (BET) surface area and X-ray diffraction (XRD) techniques were employed to characterize both the specific surface area and crystallinity of the catalyst, respectively. The reduction behavior of Co/SiO2 catalyst was investigated using the Temperature Programmmed Reduction (TPR) method. Operating temperatures were varied from 493 to 533K to find the optimum conditions to maximize liquid fuels production, gasoline and diesel.

Keywords: Fischer Tropsch synthesis, slurry phase, Co/SiO2, operating temperature.

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Authors: Siraa Ben Ftima, Mourad Talbi, Tahar Ezzedine

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In this paper, we present a technique of secure watermarking of grayscale and color images. This technique consists in applying the Singular Value Decomposition (SVD) in LWT (Lifting Wavelet Transform) domain in order to insert the watermark image (grayscale) in the host image (grayscale or color image). It also uses signature in the embedding and extraction steps. The technique is applied on a number of grayscale and color images. The performance of this technique is proved by the PSNR (Pick Signal to Noise Ratio), the MSE (Mean Square Error) and the SSIM (structural similarity) computations.

Keywords: Color image, grayscale image, singular values decomposition, lifting wavelet transform, image watermarking, watermark, secure.

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Authors: Young-Hwan Song, Doo-Heon Kyun, Jong-Kuk Kim, Myung-Jin Bae

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People have the habitual pitch level which is used when people say something generally. However this pitch should be changed irregularly in the presence of noise. So it is useful to estimate SNR of speech signal by pitch. In this paper, we obtain the energy of input speech signal and then we detect a stationary region on voiced speech. And we get the pitch period by NAMDF for the stationary region that is not varied pitch rapidly. After getting pitch, each frame is divided by pitch period and the likelihood of closed pitch is estimated. In this paper, we proposed new parameter, NLF, to estimate the SNR of received speech signal. The NLF is derived from the correlation of near pitch periods. The NLF is obtained for each stationary region in voiced speech. Finally we confirmed good performance of the estimation of the SNR of received input speech in the presence of noise.

Keywords: Likelihood, pitch, SNR, speech.

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Authors: S. Dhahri, A. Zitouni, H. Chaouch, R. Tourki

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This paper presents an adaptive motion estimator that can be dynamically reconfigured by the best algorithm depending on the variation of the video nature during the lifetime of an application under running. The 4 Step Search (4SS) and the Gradient Search (GS) algorithms are integrated in the estimator in order to be used in the case of rapid and slow video sequences respectively. The Full Search Block Matching (FSBM) algorithm has been also integrated in order to be used in the case of the video sequences which are not real time oriented. In order to efficiently reduce the computational cost while achieving better visual quality with low cost power, the proposed motion estimator is based on a Variable Block Size (VBS) scheme that uses only the 16x16, 16x8, 8x16 and 8x8 modes. Experimental results show that the adaptive motion estimator allows better results in term of Peak Signal to Noise Ratio (PSNR), computational cost, FPGA occupied area, and dissipated power relatively to the most popular variable block size schemes presented in the literature.

Keywords: H264, Configurable Motion Estimator, VariableBlock Size, PSNR, Dissipated power.

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Authors: Khalid Elasnaoui, Brahim Aksasse, Mohammed Ouanan

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In this paper, we are interested in the problem of finding similar images in a large database. For this purpose we propose a new algorithm based on a combination of the 2-D histogram intersection in the HSV space and statistical moments. The proposed histogram is based on a 3x3 window and not only on the intensity of the pixel. This approach overcome the drawback of the conventional 1-D histogram which is ignoring the spatial distribution of pixels in the image, while the statistical moments are used to escape the effects of the discretisation of the color space which is intrinsic to the use of histograms. We compare the performance of our new algorithm to various methods of the state of the art and we show that it has several advantages. It is fast, consumes little memory and requires no learning. To validate our results, we apply this algorithm to search for similar images in different image databases.

Keywords: 2-D histogram, Statistical moments, Indexing, Similarity distance, Histograms intersection.

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Authors: Khalid Salhi, El Miloud Jaara, Mohammed Talibi Alaoui

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In this paper, we present a neural approach for unsupervised natural color-texture image segmentation, which is based on both Kohonen maps and mathematical morphology, using a combination of the texture and the image color information of the image, namely, the fractal features based on fractal dimension are selected to present the information texture, and the color features presented in RGB color space. These features are then used to train the network Kohonen, which will be represented by the underlying probability density function, the segmentation of this map is made by morphological watershed transformation. The performance of our color-texture segmentation approach is compared first, to color-based methods or texture-based methods only, and then to k-means method.

Keywords: Segmentation, color-texture, neural networks, fractal, watershed.

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Authors: Manas Ranjan Kabat, Manoj Kumar Patel, Chita Ranjan Tripathy

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Many multimedia communication applications require a source to transmit messages to multiple destinations subject to quality of service (QoS) delay constraint. To support delay constrained multicast communications, computer networks need to guarantee an upper bound end-to-end delay from the source node to each of the destination nodes. This is known as multicast delay problem. On the other hand, if the same message fails to arrive at each destination node at the same time, there may arise inconsistency and unfairness problem among users. This is related to multicast delayvariation problem. The problem to find a minimum cost multicast tree with delay and delay-variation constraints has been proven to be NP-Complete. In this paper, we propose an efficient heuristic algorithm, namely, Economic Delay and Delay-Variation Bounded Multicast (EDVBM) algorithm, based on a novel heuristic function, to construct an economic delay and delay-variation bounded multicast tree. A noteworthy feature of this algorithm is that it has very high probability of finding the optimal solution in polynomial time with low computational complexity.

Keywords: EDVBM, Heuristic algorithm, Multicast tree, QoS routing, Shortest path.

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Authors: Teerapun Saeheaw, Nivit Charoenchai, Wichai Chattinnawat

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This paper proposes a meta-heuristic called Ant Colony Optimization to solve multi-objective production problems. The multi-objective function is to minimize lead time and work in process. The problem is related to the decision variables, i.e.; distance and process time. According to decision criteria, the mathematical model is formulated. In order to solve the model an ant colony optimization approach has been developed. The proposed algorithm is parameterized by the number of ant colonies and the number of pheromone trails. One example is given to illustrate the effectiveness of the proposed model. The proposed formulations; Max-Min Ant system are then used to solve the problem and the results evaluate the performance and efficiency of the proposed algorithm using simulation.

Keywords: Ant colony optimization, multi-objective problems.

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Authors: Ali Beydoun, Van-Tam Nguyen, Patrick Loumeau

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Time interleaved sigma-delta (TIΣΔ) architecture is a potential candidate for high bandwidth analog to digital converters (ADC) which remains a bottleneck for software and cognitive radio receivers. However, the performance of the TIΣΔ architecture is limited by the unavoidable gain and offset mismatches resulting from the manufacturing process. This paper presents a novel digital calibration method to compensate the gain and offset mismatch effect. The proposed method takes advantage of the reconstruction digital signal processing on each channel and requires only few logic components for implementation. The run time calibration is estimated to 10 and 15 clock cycles for offset cancellation and gain mismatch calibration respectively.

Keywords: sigma-delta, calibration, gain and offset mismatches, analog-to-digital conversion, time-interleaving.

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Authors: Sang-Rak Kim, Jea-Yong Park, Won-Goo Lee, Jin-Shik Yu, Seog-Young Han

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This paper presents a Reliability-Based Topology Optimization (RBTO) based on Evolutionary Structural Optimization (ESO). An actual design involves uncertain conditions such as material property, operational load and dimensional variation. Deterministic Topology Optimization (DTO) is obtained without considering of the uncertainties related to the uncertainty parameters. However, RBTO involves evaluation of probabilistic constraints, which can be done in two different ways, the reliability index approach (RIA) and the performance measure approach (PMA). Limit state function is approximated using Monte Carlo Simulation and Central Composite Design for reliability analysis. ESO, one of the topology optimization techniques, is adopted for topology optimization. Numerical examples are presented to compare the DTO with RBTO.

Keywords: Evolutionary Structural Optimization, PerformanceMeasure Approach, Reliability-Based Topology Optimization, Reliability Index Approach.

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Authors: H. K. Hwang, Zekeriya Aliyazicioglu, Solomon Wu, Hung Lu, Nick Wilkins, Daniel Kerr

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Multiple-input multiple-output (MIMO) radar has received increasing attention in recent years. MIMO radar has many advantages over conventional phased array radar such as target detection,resolution enhancement, and interference suppression. In this paper, the results are presented from a simulation study of MIMO uniformly-spaced linear array (ULA) antennas. The performance is investigated under varied parameters, including varied array size, pseudo random (PN) sequence length, number of snapshots, and signal to noise ratio (SNR). The results of MIMO are compared to a traditional array antenna.

Keywords: Multiple-input multiple-output (MIMO) radar, phased array antenna, target detection, radar signal processing.

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Authors: Esmeralda Hysenbelliu

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Over the last years, the demand for high bandwidth services, such as live (IPTV Service) and on-demand video streaming, steadily and rapidly increased. It has been predicted that video traffic (IPTV, VoD, and WEB TV) will account more than 90% of global Internet Protocol traffic that will cross the globe in 2016. Consequently, the importance and consideration on requirements and challenges of service providers faced today in supporting user’s requests for entertainment video across the various IPTV services through virtualization over Software Defined Networks (SDN), is tremendous in the highest stage of attention. What is necessarily required, is to deliver optimized live and on-demand services like Internet Protocol Service (IPTV Service) with low cost and good quality by strictly fulfill the essential requirements of Clients and ISP’s (Internet Service Provider’s) in the same time. The aim of this study is to present an overview of the important requirements and challenges of IPTV service with two network trends on solving challenges through virtualization (SDN and Network Function Virtualization). This paper provides an overview of researches published in the last five years.

Keywords: Challenges, IPTV Service, Requirements, Software Defined Networking.

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Authors: Clio G. Vossou, Ioannis N. Koukoulis, Christopher G. Provatidis

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The present work encounters the solution of the defect identification problem with the use of an evolutionary algorithm combined with a simplex method. In more details, a Matlab implementation of Genetic Algorithms is combined with a Simplex method in order to lead to the successful identification of the defect. The influence of the location and the orientation of the depressed ellipsoidal flaw was investigated as well as the use of different amount of static data in the cost function. The results were evaluated according to the ability of the simplex method to locate the global optimum in each test case. In this way, a clear impression regarding the performance of the novel combination of the optimization algorithms, and the influence of the geometrical parameters of the flaw in defect identification problems was obtained.

Keywords: Defect identification, genetic algorithms, optimization.

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Authors: M. Hamad Hassan, S.A.M. Gilani

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In this paper, a fragile watermarking scheme is proposed for color image specified object-s authentication. The color image is first transformed from RGB to YST color space, suitable for watermarking the color media. The T channel corresponds to the chrominance component of a color image andYS ÔèÑ T , therefore selected for embedding the watermark. The T channel is first divided into 2×2 non-overlapping blocks and the two LSBs are set to zero. The object that is to be authenticated is also divided into 2×2 nonoverlapping blocks and each block-s intensity mean is computed followed by eight bit encoding. The generated watermark is then embedded into T channel randomly selected 2×2 block-s LSBs using 2D-Torus Automorphism. Selection of block size is paramount for exact localization and recovery of work. The proposed scheme is blind, efficient and secure with ability to detect and locate even minor tampering applied to the image with full recovery of original work. The quality of watermarked media is quite high both subjectively and objectively. The technique is suitable for class of images with format such as gif, tif or bitmap.

Keywords: Image Authentication, LSBs, PSNR, 2D-Torus Automorphism, YST Color Space.

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Authors: A. Salmanpour, Sh. Mohammad Nejad

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One of the methods for detecting the target position error in the laser tracking systems is using Four Quadrant (4Q) detectors. If the coordinates of the target center is yielded through the usual relations of the detector outputs, the results will be nonlinear, dependent on the shape, target size and its position on the detector screen. In this paper we have designed an algorithm with using neural network that coordinates of the target center in laser tracking systems is calculated by using detector outputs obtained from visual modeling. With this method, the results except from the part related to the detector intrinsic limitation, are linear and dependent from the shape and target size.

Keywords: four quadrant detector, laser tracking system, rangefinder, tracking sensor

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Authors: Arūnas Burinskas

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Although Europe is on the threshold of a new industrial revolution called Industry 4.0, many believe that this will increase the flexibility of production, the mass adaptation of products to consumers and the speed of their service; it will also improve product quality and dramatically increase productivity. However, as expected, all the benefits of Industry 4.0 face many of the inevitable changes and challenges they pose. One of them is the inevitable transformation of current competition and business models. This article examines the possible results of competitive conversion from the classic Bertrand and Cournot models to qualitatively new competition based on innovation. Ability to deliver a new product quickly and the possibility to produce the individual design (through flexible and quickly configurable factories) by reducing equipment failures and increasing process automation and control is highly important. This study shows that the ongoing transformation of the competition model is changing the game. This, together with the creation of complex value networks, means huge investments that make it particularly difficult for small and medium-sized enterprises. In addition, the ongoing digitalization of data raises new concerns regarding legal obligations, intellectual property, and security.

Keywords: Bertrand and Cournot Competition, competition model, Industry 4.0, industrial organization, monopolistic competition.

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Authors: Gu Shan-Mao, He Feng-You, Ye Sheng-Wen, Ma Zhi-Xun

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The application of a high frequency signal injection method as speed and position observer in PMSM drives has been a research focus. At present, the precision of this method is nearly good as that of ten-bit encoder. But there are some questions for estimating position polarity. Based on high frequency signal injection, this paper presents a method to compensate position polarity for permanent magnet synchronous motor (PMSM). Experiments were performed to test the effectiveness of the proposed algorithm and results present the good performance.

Keywords: permanent magnet synchronous motor, sensorless, high-frequency signal injection, magnetic pole position.

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Authors: Thanh-Phong Dao, Shyh-Chour Huang

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This study presents a quasi-zero stiffness (QZS) vibration isolator using flexure-based spring mechanisms which afford both negative and positive stiffness elements, which enable self-adjustment. The QZS property of the isolator is achieved at the equilibrium position. A nonlinear mathematical model is then developed, based on the pre-compression of the flexure-based spring mechanisms. The dynamics are further analyzed using the Harmonic Balance method. The vibration attention efficiency is illustrated using displacement transmissibility, which is then compared with the corresponding linear isolator. The effects of parameters on performance are also investigated by numerical solutions. The flexure-based spring mechanisms are subsequently designed using the concept of compliant mechanisms, with evaluation by ANSYS software, and simulations of the QZS isolator.

Keywords: Vibration isolator, quasi-zero stiffness, flexure-based spring mechanisms, compliant mechanism.

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Authors: F. Z. Doğru, O. Arslan

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In general, classical methods such as maximum likelihood (ML) and least squares (LS) estimation methods are used to estimate the shape parameters of the Burr XII distribution. However, these estimators are very sensitive to the outliers. To overcome this problem we propose alternative robust estimators based on the M-estimation method for the shape parameters of the Burr XII distribution. We provide a small simulation study and a real data example to illustrate the performance of the proposed estimators over the ML and the LS estimators. The simulation results show that the proposed robust estimators generally outperform the classical estimators in terms of bias and root mean square errors when there are outliers in data.

Keywords: Burr XII distribution, robust estimator, M-estimator, maximum likelihood, least squares.

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Authors: Kew Lee Ming, Norhashidah Hj. Mohd. Ali

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In a previous work, we presented the numerical solution of the two dimensional second order telegraph partial differential equation discretized by the centred and rotated five-point finite difference discretizations, namely the explicit group (EG) and explicit decoupled group (EDG) iterative methods, respectively. In this paper, we utilize a domain decomposition algorithm on these group schemes to divide the tasks involved in solving the same equation. The objective of this study is to describe the development of the parallel group iterative schemes under OpenMP programming environment as a way to reduce the computational costs of the solution processes using multicore technologies. A detailed performance analysis of the parallel implementations of points and group iterative schemes will be reported and discussed.

Keywords: Telegraph equation, explicit group iterative scheme, domain decomposition algorithm, parallelization.

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Authors: Marina Velikova, Hennie Daniels, Ad Feelders

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In many applications, it is a priori known that the target function should satisfy certain constraints imposed by, for example, economic theory or a human-decision maker. Here we consider partially monotone problems, where the target variable depends monotonically on some of the predictor variables but not all. We propose an approach to build partially monotone models based on the convolution of monotone neural networks and kernel functions. The results from simulations and a real case study on house pricing show that our approach has significantly better performance than partially monotone linear models. Furthermore, the incorporation of partial monotonicity constraints not only leads to models that are in accordance with the decision maker's expertise, but also reduces considerably the model variance in comparison to standard neural networks with weight decay.

Keywords: Mixture models, monotone neural networks, partially monotone models, partially monotone problems.

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Authors: Samia Salah, M’hamed Hadj Sadok, Abderrezak Guessoum

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In this paper, we propose a new modular approach called neuroglial consisting of two neural networks slow and fast which emulates a biological reality recently discovered. The implementation is based on complex multi-time scale systems; validation is performed on the model of the asynchronous machine. We applied the geometric approach based on the Gerschgorin circles for the decoupling of fast and slow variables, and the method of singular perturbations for the development of reductions models.

This new architecture allows for smaller networks with less complexity and better performance in terms of mean square error and convergence than the single network model.

Keywords: Gerschgorin’s Circles, Neuroglial Network, Multi time scales systems, Singular perturbation method.

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Authors: Sheetal Chavan, P. J. Kulkarni, Vivek Shanbhag

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Although achieving zero-defect software release is practically impossible, software industries should take maximum care to detect defects/bugs well ahead in time allowing only bare minimums to creep into released version. This is a clear indicator of time playing an important role in the bug detection. In addition to this, software quality is the major factor in software engineering process. Moreover, early detection can be achieved only through static code analysis as opposed to conventional testing. BugCatcher.Net is a static analysis tool, which detects bugs in .NET® languages through MSIL (Microsoft Intermediate Language) inspection. The tool utilizes a Parser based on Finite State Automata to carry out bug detection. After being detected, bugs need to be corrected immediately. BugCatcher.Net facilitates correction, by proposing a corrective solution for reported warnings/bugs to end users with minimum side effects. Moreover, the tool is also capable of analyzing the bug trend of a program under inspection.

Keywords: Dependence, Early solution, Finite State Automata, Grammar, Late solution, Parser State Transition Diagram, StaticProgram Analysis.

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Authors: Moung Young Lee, Chul Gyu Song

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Photoacoustic imaging is the imaging technology that combines the optical imaging and ultrasound. This provides the high contrast and resolution due to optical imaging and ultrasound imaging, respectively. We developed the real-time photoacoustic tomography (PAT) system using linear-ultrasound transducer and digital acquisition (DAQ) board. There are two types of algorithm for reconstructing the photoacoustic signal. One is back-projection algorithm, the other is FFT algorithm. Especially, we used the non-uniform FFT algorithm. To evaluate the performance of our system and algorithms, we monitored two wires that stands at interval of 2.89 mm and 0.87 mm. Then, we compared the images reconstructed by algorithms. Finally, we monitored the two hairs crossed and compared between these algorithms.

Keywords: Back-projection, image comparison, non-uniform FFT, photoacoustic tomography.

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Authors: Kartikaningsih Danis, Yao-Hui Huang

Abstract:

Various techniques including conventional and advanced have been employed for the boron treatment from water and wastewater. The electrocoagulation involves an electrolytic reactor for coagulation/flotation with aluminium as anode and cathode. There is aluminium as coagulant to be used for removal which may induce secondary pollution in chemical coagulation. The purpose of this study is to investigate and compare the performance between electrocoagulation and chemical coagulation on boron removal from synthetic wastewater. The effect of different parameters, such as pH reaction, coagulant dosage, and initial boron concentration were examined. The results show that the boron removal using chemical coagulation was lower. At the optimum condition (e.g. pH 8 and 0.8 mol coagulant dosage), boron removal efficiencies for chemical coagulation and electrocoagulation were 61% and 91%, respectively. In addition, the electrocoagulation needs no chemical reagents and makes the boron treatment easy for application.

Keywords: Electrocoagulation, chemical coagulation, aluminum electrode, boron removal.

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Authors: G. S. Ryu, K. T. Koh, H. Y. Kim, G. H. An, D. W. Seo

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Geopolymer mortar is produced by alkaline activation of pozzolanic materials such as fly ground granulated blast-furnace slag (GGBFS) and fly ash (FA). Its unique reaction pathway facilitates rapid strength development in comparison with hydration of ordinary Portland cement (OPC). Geopolymer can be fabricated using various types and dosages of alkali-activator, which effectively gives a wider control over the performance of the final product. The present study investigates the effect of types of precursors and curing conditions on the fresh state and strength development characteristics of geopolymers, thereby comparatively exploring the effect of precursors from various sources of origin. The obtained result showed that the setting time and strength development of the specimens with the identical mix proportion but different precursors displayed significant variations.

Keywords: Alkali-activated material, blast furnace slag, fly ash, Flowability, strength development.

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Authors: Y. Yudin, T. Krasikova, Y. Dorozhko, N. Currle-Linde

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Nowadays, HPC, Grid and Cloud systems are evolving very rapidly. However, the development of infrastructure solutions related to HPC is lagging behind. While the existing infrastructure is sufficient for simple cases, many computational problems have more complex requirements.Such computational experiments use different resources simultaneously to start a large number of computational jobs.These resources are heterogeneous. They have different purposes, architectures, performance and used software.Users need a convenient tool that allows to describe and to run complex computational experiments under conditions of HPC environment. This paper introduces a modularworkflow system called SEGL which makes it possible to run complex computational experiments under conditions of a real HPC organization. The system can be used in a great number of organizations, which provide HPC power. Significant requirements to this system are high efficiency and interoperability with the existing HPC infrastructure of the organization without any changes.

Keywords: HPC, Molecular Dynamics, Workflow Languages, Workflow Management.

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