The Object-Oriented technology is applied to mass transport analysis of the high-level radioactive waste repository, and the Virtual RepositoryTM code, a prototype of Object-Oriented simulation code of the repository, has been developed. With the prototype, the feasibility and effectiveness of the computation technology to the repository performance analysis code has been studied. It has been demonstrated that by applying the existing Object-Oriented technology, the repository performance analysis code has been modularized and structured under the unified calculation environment. It is also shown that by utilizing the unified calculation environment, the code can analyze the repository model composed of multiple-canisters with various waste configuration patterns, which has never been performed by the conventional approaches. The present scoping study with the prototype shows that in order to apply the Object-Oriented analysis code to practical high-level radioactive waste repository simulation, the Object-Oriented framework should be optimized for realistic high-level radioactive waste models, especially for highly non-linear phenomena.
{"title":"Development of Object-Oriented Simulation Code for High-Level Radioactive Waste Repository","authors":"K. Tsujimoto, Joonhong Ahn","doi":"10.1299/JCST.2.281","DOIUrl":"https://doi.org/10.1299/JCST.2.281","url":null,"abstract":"The Object-Oriented technology is applied to mass transport analysis of the high-level radioactive waste repository, and the Virtual RepositoryTM code, a prototype of Object-Oriented simulation code of the repository, has been developed. With the prototype, the feasibility and effectiveness of the computation technology to the repository performance analysis code has been studied. It has been demonstrated that by applying the existing Object-Oriented technology, the repository performance analysis code has been modularized and structured under the unified calculation environment. It is also shown that by utilizing the unified calculation environment, the code can analyze the repository model composed of multiple-canisters with various waste configuration patterns, which has never been performed by the conventional approaches. The present scoping study with the prototype shows that in order to apply the Object-Oriented analysis code to practical high-level radioactive waste repository simulation, the Object-Oriented framework should be optimized for realistic high-level radioactive waste models, especially for highly non-linear phenomena.","PeriodicalId":196913,"journal":{"name":"Journal of Computational Science and Technology","volume":"10 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129444006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shuping Sun, Zhongwei Jiang, Haibin Wang, Yu Fang, Ting Tao
This paper is concerned with a novel proposal to determinate classification boundaries both in time and frequency domains based on the support vector machines (SVM) technique for diagnosis of ventricular septal defect (VSD). Firstly, two heart sound characteristic waveforms are extracted both from time-domain and frequency-domain. Four heart sound feature parameters both in time and frequency domains, [ T 11 , T 12 ] and [ F G , F W ], are obtained from the crossed points of the waveforms at the selected threshold values. Secondly, a novel algorithm to determine the classification boundaries surrounding the feature parameters is proposed with the aid of SVM technique for evaluating the performance of VSD auscultation. Finally, the classification labeling indexes based on the classification boundaries are introduced for diagnosis of VSD. A case study on the normal and VSD cases is demonstrated to validate the usefulness and e ffi ciency of the proposed method; the classification accuracy (CA) is gained 98.4% for diagnosing VSD from the normal cases. Furthermore, the proposed method is applied to classify the sizes of the defect in VSD. The accuracies have been achieved at 94 . 9% for small, 93 . 6% for moderate and 95 . 8% for large VSD. heart sound samples, and the results showed that the accuracies are 98 . 4% for classification of VSD from normal sounds, 94 . 9% for SVSD from other VSD sounds, 93 . 6% for MVSD and 95 . 8% for LVSD, respectively. Furthermore, the methodology proposed in this paper shows a high potential to be extended to the other heart disorder diagnosis.
{"title":"Heart Sound Feature Parameters Distribution and Support Vector Machine-Based Classification Boundary Determination Method for Ventricular Septal Defect Auscultation","authors":"Shuping Sun, Zhongwei Jiang, Haibin Wang, Yu Fang, Ting Tao","doi":"10.1299/JCST.6.198","DOIUrl":"https://doi.org/10.1299/JCST.6.198","url":null,"abstract":"This paper is concerned with a novel proposal to determinate classification boundaries both in time and frequency domains based on the support vector machines (SVM) technique for diagnosis of ventricular septal defect (VSD). Firstly, two heart sound characteristic waveforms are extracted both from time-domain and frequency-domain. Four heart sound feature parameters both in time and frequency domains, [ T 11 , T 12 ] and [ F G , F W ], are obtained from the crossed points of the waveforms at the selected threshold values. Secondly, a novel algorithm to determine the classification boundaries surrounding the feature parameters is proposed with the aid of SVM technique for evaluating the performance of VSD auscultation. Finally, the classification labeling indexes based on the classification boundaries are introduced for diagnosis of VSD. A case study on the normal and VSD cases is demonstrated to validate the usefulness and e ffi ciency of the proposed method; the classification accuracy (CA) is gained 98.4% for diagnosing VSD from the normal cases. Furthermore, the proposed method is applied to classify the sizes of the defect in VSD. The accuracies have been achieved at 94 . 9% for small, 93 . 6% for moderate and 95 . 8% for large VSD. heart sound samples, and the results showed that the accuracies are 98 . 4% for classification of VSD from normal sounds, 94 . 9% for SVSD from other VSD sounds, 93 . 6% for MVSD and 95 . 8% for LVSD, respectively. Furthermore, the methodology proposed in this paper shows a high potential to be extended to the other heart disorder diagnosis.","PeriodicalId":196913,"journal":{"name":"Journal of Computational Science and Technology","volume":"10 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121407325","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Design informatics, which is the efficient design methodology, has three points of view. The first is the efficient exploration in design space using evolutionary-based optimization methods. The second is the structuring and visualizing of design space using data mining techniques. The third is the application to practical problems. In the present study, the influence of the difference among the seven pure and hybrid optimization methods for design information has been investigated in order to explain the selection manner of optimization methods for data mining. The practical problem of a singlestage hybrid rocket is picked up as the present design object. A functional analysis of variance and a self-organizing map are employed as data mining techniques in order to acquire the global information in design space. As a result, mining result depends on not the number of generation (i.e. convergence) but the optimization methods (i.e. diversity). Consequently, the optimization method with diversity performance is the beneficial selection in order to obtain the global design information in design space.
{"title":"Influence of Difference among Evolutionary Computations for Design Information","authors":"Kazuhisa Chiba","doi":"10.1299/JCST.7.184","DOIUrl":"https://doi.org/10.1299/JCST.7.184","url":null,"abstract":"Design informatics, which is the efficient design methodology, has three points of view. The first is the efficient exploration in design space using evolutionary-based optimization methods. The second is the structuring and visualizing of design space using data mining techniques. The third is the application to practical problems. In the present study, the influence of the difference among the seven pure and hybrid optimization methods for design information has been investigated in order to explain the selection manner of optimization methods for data mining. The practical problem of a singlestage hybrid rocket is picked up as the present design object. A functional analysis of variance and a self-organizing map are employed as data mining techniques in order to acquire the global information in design space. As a result, mining result depends on not the number of generation (i.e. convergence) but the optimization methods (i.e. diversity). Consequently, the optimization method with diversity performance is the beneficial selection in order to obtain the global design information in design space.","PeriodicalId":196913,"journal":{"name":"Journal of Computational Science and Technology","volume":"106 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123326859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dissimilar material properties may cause stress singularities, which may lead to the failure of the bonding part in joints. It is important to analyze stress singularity fields in order to evaluate the strength of the interface in three-dimensional joints. Thermal residual stresses occur during cooling after bonding of the joints, and stress singularities can also be caused by these thermal stresses. In the present study, a boundary element method and an eigenvalue analysis based on the finite element method are used to evaluate the intensity of the stress singularity. A three-dimensional boundary element program based on the fundamental solution for two-phase isotropic materials is used. The strength of the interface of two types of Si-resin specimens with different bonding areas is investigated analytically and experimentally. Stress singularity analysis is first carried out for a delamination force acting on the specimen. The stress singularity field for the residual stresses is determined while varying the material property in resin with temperature. Combining the stress singularity field for the delamination force and the residual thermal stress yields a final stress distribution for evaluating the strength of the interface. Finally, the strength of the interface in three-dimensional joints was determined as 0.0914-0.133 MPa·m0.68.
{"title":"An Evaluation of Interface Strength at a Vertex in a Three-Dimensional Joint Considering Residual Thermal Stresses Using the Three-Dimensional Boundary Element Method","authors":"H. Koguchi, N. Meo","doi":"10.1299/JCST.2.130","DOIUrl":"https://doi.org/10.1299/JCST.2.130","url":null,"abstract":"Dissimilar material properties may cause stress singularities, which may lead to the failure of the bonding part in joints. It is important to analyze stress singularity fields in order to evaluate the strength of the interface in three-dimensional joints. Thermal residual stresses occur during cooling after bonding of the joints, and stress singularities can also be caused by these thermal stresses. In the present study, a boundary element method and an eigenvalue analysis based on the finite element method are used to evaluate the intensity of the stress singularity. A three-dimensional boundary element program based on the fundamental solution for two-phase isotropic materials is used. The strength of the interface of two types of Si-resin specimens with different bonding areas is investigated analytically and experimentally. Stress singularity analysis is first carried out for a delamination force acting on the specimen. The stress singularity field for the residual stresses is determined while varying the material property in resin with temperature. Combining the stress singularity field for the delamination force and the residual thermal stress yields a final stress distribution for evaluating the strength of the interface. Finally, the strength of the interface in three-dimensional joints was determined as 0.0914-0.133 MPa·m0.68.","PeriodicalId":196913,"journal":{"name":"Journal of Computational Science and Technology","volume":"5 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115532199","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The feasibility of the GeoFEM as a platform for the parallel finite element method on the earth simulator was investigated. Since the earth simulator consists of 640 SMP nodes, each of which has eight vector processors, there are three levels of hierarchical parallelization methods: inter-node, intra-node, and vectorization. GeoFEM has extremely high inter-node parallel efficiency. However, the application of GeoFEM in an environment involving over 1,000 processors has not yet been examined. Furthermore, the hierarchical architecture of the Earth Simulator requires optimization for intra-node parallelization and vectorization for better practical performance. Various ordering methods have been used to accomplish intra-node parallelization and vectorization, and we eventually achieved a performance of 10 TeraFLOPS for a 6.4-GDOF problem.
{"title":"Optimization of the Parallel Finite Element Method for the Earth Simulator","authors":"N. Kushida, H. Okuda","doi":"10.1299/JCST.2.81","DOIUrl":"https://doi.org/10.1299/JCST.2.81","url":null,"abstract":"The feasibility of the GeoFEM as a platform for the parallel finite element method on the earth simulator was investigated. Since the earth simulator consists of 640 SMP nodes, each of which has eight vector processors, there are three levels of hierarchical parallelization methods: inter-node, intra-node, and vectorization. GeoFEM has extremely high inter-node parallel efficiency. However, the application of GeoFEM in an environment involving over 1,000 processors has not yet been examined. Furthermore, the hierarchical architecture of the Earth Simulator requires optimization for intra-node parallelization and vectorization for better practical performance. Various ordering methods have been used to accomplish intra-node parallelization and vectorization, and we eventually achieved a performance of 10 TeraFLOPS for a 6.4-GDOF problem.","PeriodicalId":196913,"journal":{"name":"Journal of Computational Science and Technology","volume":"7 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116910832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tablets are the most common dosage forms found in the market today. They come in many different shapes, colors and flavors. People sometimes find it difficult to swallow tablets, and we have reported that tablets with a smaller radius of curvature are easier to swallow. However, a small radius of curvature tends to result in decreased tablet hardness. On the other hand, a lot of stress occurring on the tablet press may break the punch head. There are simple design manuals of punch strength, however no computational method has been described in detail. We performed an FEM analysis of tablet hardness and punch strength using ANSYS software. The punch reaction force was then transcribed as the tablet Young's modulus (the transcription model). The result of ANSYS simulation in a tablet made from dry yeast was consistent with the experimental result. In addition, the relation between punch shape and allowable load was studied employing the Response Surface Method and the punch shape contribution for allowable load was calculated.
{"title":"FEM Analysis of Tablet Hardness and Punch Strength Using ANSYS Software","authors":"Hideaki Sato, T. Miura, H. Furuichi","doi":"10.1299/JCST.5.120","DOIUrl":"https://doi.org/10.1299/JCST.5.120","url":null,"abstract":"Tablets are the most common dosage forms found in the market today. They come in many different shapes, colors and flavors. People sometimes find it difficult to swallow tablets, and we have reported that tablets with a smaller radius of curvature are easier to swallow. However, a small radius of curvature tends to result in decreased tablet hardness. On the other hand, a lot of stress occurring on the tablet press may break the punch head. There are simple design manuals of punch strength, however no computational method has been described in detail. We performed an FEM analysis of tablet hardness and punch strength using ANSYS software. The punch reaction force was then transcribed as the tablet Young's modulus (the transcription model). The result of ANSYS simulation in a tablet made from dry yeast was consistent with the experimental result. In addition, the relation between punch shape and allowable load was studied employing the Response Surface Method and the punch shape contribution for allowable load was calculated.","PeriodicalId":196913,"journal":{"name":"Journal of Computational Science and Technology","volume":"41 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115208291","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The multiphase field (MPF) method is recognized as a powerful numerical method to simulate microstructural evolutions, such as solidification, grain growth, recrystallization, and phase transformation, in various materials. However, because we need to solve the time evolution equations for multiple-order parameters derived from the total Gibbs free energy, MPF simulations are very computationally expensive. In this paper, we use a graphics processing unit (GPU) to accelerate the two-dimensional MPF simulation of austenite-to-ferrite transformation in a Fe–C alloy. This is an important phenomenon for predicting the morphology of multiphase microstructures in steel. To perform the MPF simulation on an NVIDIA GPU, the program code is developed in CUDA Fortran. Using this code, the acceleration performance of the GPU implementation is evaluated, and our results demonstrate that the GPU computation can powerfully accelerate the MPF simulation by introducing an active parameter tracking (APT) method, which is used to reduce the computational load and memory consumption. The performance of the GPU computation with APT achieves a speedup factor of 5 compared with the GPU computation without APT and a speedup factor of 15 compared with the basic CPU computation without the APT method.
{"title":"Multiphase Field Simulation of Austenite-to-Ferrite Transformation Accelerated by GPU Computing","authors":"A. Yamanaka, T. Takaki, T. Aoki, T. Shimokawabe","doi":"10.1299/JCST.6.182","DOIUrl":"https://doi.org/10.1299/JCST.6.182","url":null,"abstract":"The multiphase field (MPF) method is recognized as a powerful numerical method to simulate microstructural evolutions, such as solidification, grain growth, recrystallization, and phase transformation, in various materials. However, because we need to solve the time evolution equations for multiple-order parameters derived from the total Gibbs free energy, MPF simulations are very computationally expensive. In this paper, we use a graphics processing unit (GPU) to accelerate the two-dimensional MPF simulation of austenite-to-ferrite transformation in a Fe–C alloy. This is an important phenomenon for predicting the morphology of multiphase microstructures in steel. To perform the MPF simulation on an NVIDIA GPU, the program code is developed in CUDA Fortran. Using this code, the acceleration performance of the GPU implementation is evaluated, and our results demonstrate that the GPU computation can powerfully accelerate the MPF simulation by introducing an active parameter tracking (APT) method, which is used to reduce the computational load and memory consumption. The performance of the GPU computation with APT achieves a speedup factor of 5 compared with the GPU computation without APT and a speedup factor of 15 compared with the basic CPU computation without the APT method.","PeriodicalId":196913,"journal":{"name":"Journal of Computational Science and Technology","volume":"40 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115408804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Preface: Special issue on “JCST International Forum 2011 (Okayama)”","authors":"H. Okada, N. Takano","doi":"10.1299/JCST.6.38","DOIUrl":"https://doi.org/10.1299/JCST.6.38","url":null,"abstract":"","PeriodicalId":196913,"journal":{"name":"Journal of Computational Science and Technology","volume":"9 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122668925","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This paper presents a new method for simulating flows driven by a body traveling with neither restriction on motion nor a limit of a region size. In the present method named 'Moving Computational Domain Method', the whole of the computational domain including bodies inside moves in the physical space without the limit of region size. Since the whole of the grid of the computational domain moves according to the movement of the body, a flow solver of the method has to be constructed on the moving grid system and it is important for the flow solver to satisfy physical and geometric conservation laws simultaneously on moving grid. For this issue, the Moving-Grid Finite-Volume Method is employed as the flow solver. The present Moving Computational Domain Method makes it possible to simulate flow driven by any kind of motion of the body in any size of the region with satisfying physical and geometric conservation laws simultaneously. In this paper, the method is applied to the flow around a high-speed car passing through a hairpin curve. The distinctive flow field driven by the car at the hairpin curve has been demonstrated in detail. The results show the promising feature of the method.
{"title":"Moving Computational Domain Method and Its Application to Flow Around a High-Speed Car Passing Through a Hairpin Curve","authors":"Koji Watanabe, K. Matsuno","doi":"10.1299/JCST.3.449","DOIUrl":"https://doi.org/10.1299/JCST.3.449","url":null,"abstract":"This paper presents a new method for simulating flows driven by a body traveling with neither restriction on motion nor a limit of a region size. In the present method named 'Moving Computational Domain Method', the whole of the computational domain including bodies inside moves in the physical space without the limit of region size. Since the whole of the grid of the computational domain moves according to the movement of the body, a flow solver of the method has to be constructed on the moving grid system and it is important for the flow solver to satisfy physical and geometric conservation laws simultaneously on moving grid. For this issue, the Moving-Grid Finite-Volume Method is employed as the flow solver. The present Moving Computational Domain Method makes it possible to simulate flow driven by any kind of motion of the body in any size of the region with satisfying physical and geometric conservation laws simultaneously. In this paper, the method is applied to the flow around a high-speed car passing through a hairpin curve. The distinctive flow field driven by the car at the hairpin curve has been demonstrated in detail. The results show the promising feature of the method.","PeriodicalId":196913,"journal":{"name":"Journal of Computational Science and Technology","volume":"21 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124862338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Masahiro Yamamoto, Kohei Kunizawa, A. Fujinami, S. Ogata, Y. Shibutani
Kinetic Monte Carlo (KMC) method realizes the millisecond or second order atomistic thin film growth. Twenty five kinds of events which may occur on Al(111) surface were classified. An attempt frequency and an activation energy of each event were defined using vibration analyses and nudged elastic band (NEB) method by which the minimum energy path (MEP) can be reasonably predicted. Temperature and deposition rate dependences of Al(111) film growth were intensively investigated in the present paper. The higher temperature and the lower rate drive the layer-by-layer film structural change. Two types of islands (fcc and hcp) were seen by modeling without considering the events of diffusion of dimer and trimer, while only fcc islands remain with considering such events. Thus, we find that the primitive events of diffusion of dimer and trimer take important roles in determination of surface morphology.
{"title":"Formation of Atomistic Island in Al Film Growth by Kinetic Monte Carlo","authors":"Masahiro Yamamoto, Kohei Kunizawa, A. Fujinami, S. Ogata, Y. Shibutani","doi":"10.1299/JCST.3.148","DOIUrl":"https://doi.org/10.1299/JCST.3.148","url":null,"abstract":"Kinetic Monte Carlo (KMC) method realizes the millisecond or second order atomistic thin film growth. Twenty five kinds of events which may occur on Al(111) surface were classified. An attempt frequency and an activation energy of each event were defined using vibration analyses and nudged elastic band (NEB) method by which the minimum energy path (MEP) can be reasonably predicted. Temperature and deposition rate dependences of Al(111) film growth were intensively investigated in the present paper. The higher temperature and the lower rate drive the layer-by-layer film structural change. Two types of islands (fcc and hcp) were seen by modeling without considering the events of diffusion of dimer and trimer, while only fcc islands remain with considering such events. Thus, we find that the primitive events of diffusion of dimer and trimer take important roles in determination of surface morphology.","PeriodicalId":196913,"journal":{"name":"Journal of Computational Science and Technology","volume":"105 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123659721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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