5 resultados para Weighted histogram analysis method
em AMS Tesi di Laurea - Alm@DL - Università di Bologna
Resumo:
All the structures designed by engineers are vulnerable to natural disasters including floods and earthquakes. The energy released during strong ground motions should be dissipated by structural elements. Before 1990’s, this energy was expected to be dissipated through the beams and columns which at the same time were a part of gravity-load-resisting system. However, the main disadvantage of this idea was that gravity-resisting-frame was not repairable. Hence, during 1990’s, the idea of designing passive energy dissipation systems, including dampers, emerged. At the beginning, main problem was lack of guidelines for passive energy dissipation systems. Although till 2000 many guidelines and procedures where published, yet most of them were based on complicated analysis which was not so convenient for engineers and practitioners. In order to solve this problem recently some alternative design methods are proposed including 1. Lopez Garcia (2001) simple procedure for optimal damper configuration in MDOF structures 2. Christopoulos and Filiatrault (2006) trial and error procedure 3. Silvestri et al. (2010) Five-Step Method. 4. Palermo et al. (2015) Direct Five-Step Method. 5. Palermo et al. (2016) Simplified Equivalent Static Analysis (ESA). In this study, effectiveness and differences between last three alternative methods have been evaluated.
Resumo:
The aim of my thesis is to parallelize the Weighting Histogram Analysis Method (WHAM), which is a popular algorithm used to calculate the Free Energy of a molucular system in Molecular Dynamics simulations. WHAM works in post processing in cooperation with another algorithm called Umbrella Sampling. Umbrella Sampling has the purpose to add a biasing in the potential energy of the system in order to force the system to sample a specific region in the configurational space. Several N independent simulations are performed in order to sample all the region of interest. Subsequently, the WHAM algorithm is used to estimate the original system energy starting from the N atomic trajectories. The parallelization of WHAM has been performed through CUDA, a language that allows to work in GPUs of NVIDIA graphic cards, which have a parallel achitecture. The parallel implementation may sensibly speed up the WHAM execution compared to previous serial CPU imlementations. However, the WHAM CPU code presents some temporal criticalities to very high numbers of interactions. The algorithm has been written in C++ and executed in UNIX systems provided with NVIDIA graphic cards. The results were satisfying obtaining an increase of performances when the model was executed on graphics cards with compute capability greater. Nonetheless, the GPUs used to test the algorithm is quite old and not designated for scientific calculations. It is likely that a further performance increase will be obtained if the algorithm would be executed in clusters of GPU at high level of computational efficiency. The thesis is organized in the following way: I will first describe the mathematical formulation of Umbrella Sampling and WHAM algorithm with their apllications in the study of ionic channels and in Molecular Docking (Chapter 1); then, I will present the CUDA architectures used to implement the model (Chapter 2); and finally, the results obtained on model systems will be presented (Chapter 3).
Resumo:
Modern society is now facing significant difficulties in attempting to preserve its architectural heritage. Numerous challenges arise consequently when it comes to documentation, preservation and restoration. Fortunately, new perspectives on architectural heritage are emerging owing to the rapid development of digitalization. Therefore, this presents new challenges for architects, restorers and specialists. Additionally, this has changed the way they approach the study of existing heritage, changing from conventional 2D drawings in response to the increasing requirement for 3D representations. Recently, Building Information Modelling for historic buildings (HBIM) has escalated as an emerging trend to interconnect geometrical and informational data. Currently, the latest 3D geomatics techniques based on 3D laser scanners with enhanced photogrammetry along with the continuous improvement in the BIM industry allow for an enhanced 3D digital reconstruction of historical and existing buildings. This research study aimed to develop an integrated workflow for the 3D digital reconstruction of heritage buildings starting from a point cloud. The Pieve of San Michele in Acerboli’s Church in Santarcangelo Di Romagna (6th century) served as the test bed. The point cloud was utilized as an essential referential to model the BIM geometry using Autodesk Revit® 2022. To validate the accuracy of the model, Deviation Analysis Method was employed using CloudCompare software to determine the degree of deviation between the HBIM model and the point cloud. The acquired findings showed a very promising outcome in the average distance between the HBIM model and the point cloud. The conducted approach in this study demonstrated the viability of producing a precise BIM geometry from point clouds.
Resumo:
Computing the weighted geometric mean of large sparse matrices is an operation that tends to become rapidly intractable, when the size of the matrices involved grows. However, if we are not interested in the computation of the matrix function itself, but just in that of its product times a vector, the problem turns simpler and there is a chance to solve it even when the matrix mean would actually be impossible to compute. Our interest is motivated by the fact that this calculation has some practical applications, related to the preconditioning of some operators arising in domain decomposition of elliptic problems. In this thesis, we explore how such a computation can be efficiently performed. First, we exploit the properties of the weighted geometric mean and find several equivalent ways to express it through real powers of a matrix. Hence, we focus our attention on matrix powers and examine how well-known techniques can be adapted to the solution of the problem at hand. In particular, we consider two broad families of approaches for the computation of f(A) v, namely quadrature formulae and Krylov subspace methods, and generalize them to the pencil case f(A\B) v. Finally, we provide an extensive experimental evaluation of the proposed algorithms and also try to assess how convergence speed and execution time are influenced by some characteristics of the input matrices. Our results suggest that a few elements have some bearing on the performance and that, although there is no best choice in general, knowing the conditioning and the sparsity of the arguments beforehand can considerably help in choosing the best strategy to tackle the problem.