scholarly journals Probabilistic Generalization of a Comprehensive Model for the Deterioration Prediction of RC Structure under Extreme Corrosion Environments

2018 ◽  
Vol 10 (9) ◽  
pp. 3051 ◽  
Author(s):  
Xingji Zhu ◽  
Zaixian Chen ◽  
Hao Wang ◽  
Yabin Chen ◽  
Longjun Xu
Keyword(s):  
Computational Cost ◽  
Empirical Method ◽  
Chloride Ions ◽  
Comprehensive Model ◽  
Rc Structures ◽  
Probabilistic Generalization ◽  
Rc Structure ◽  
Simplified Method ◽  
Semi Empirical ◽  
High Computational Cost

In some extreme corrosion environments, the erosion of chloride ions and carbon dioxide can occur simultaneously, causing deterioration of reinforced concrete (RC) structures. This study presents a probabilistic model for the sustainability prediction of the service life of RC structures, taking into account that combined deterioration. Because of the high computational cost, we also present a series of simplifications to improve the model. Meanwhile, a semi-empirical method is also developed for this combined effect. By probabilistic generalization, this simplified method can swiftly handle the original reliability analysis which needs to be based on large amounts of data. A comparison of results obtained by the models with and without the above simplifications supports the significance of these improvements.

scholarly journals Geometria de equilíbrio da molécula de Azadiracthin através de métodos semiempíricos e Ab initio em comparação com os dados experimentais fornecidos pela difração de raios X

2017 ◽  
Vol 41 (1) ◽  
pp. 94
Author(s):  
Daniel Augusto Barra de Oliveira ◽  
Yagly G. dos Santos Gomes
Keyword(s):  
Experimental Data ◽  
Ab Initio ◽  
Computational Cost ◽  
Empirical Method ◽  
Biological Applications ◽  
X Ray ◽  
Energetic State ◽  
Semi Empirical ◽  
Equilibrium Geometries ◽  
Data Reproducibility

The azadiracthin is a molecule with many biological applications in the pest control and in the treatment of human diseases. For this reason the geometry study of this molecular structure is essential to understand the biochemical process which it is involved. The study of equilibrium geometries was performed with the aid of quantum mechanics approach that can determine the structures with the least energetic state. The importance of this kind of study is verified when there is experimental data reproducibility by quantum calculations. In this work it was performed calculations of electronic structure with different approaches in order to try reproducing the experimental data base in X ray. The PM6 semi-empirical method was that showed the highest reproducibility of the experimental data. This result optimized yet the relation between computational cost and the good data reproducibility, because it is known that the PM6 semi-empirical method has the computationally less cost that the ab initio approaches that were used in this study. 

An Alternate Algorithm for (3x3) Median Filtering of Digital Images

2012 ◽  
Vol 2 (1) ◽  
pp. 7-9 ◽  
Author(s):  
Satinderjit Singh
Keyword(s):  
Median Filter ◽  
Computational Cost ◽  
Spatial Coherence ◽  
General Purpose ◽  
Median Filtering ◽  
Basic Algorithm ◽  
Temporal Complexity ◽  
Filter Kernel ◽  
One Step ◽  
High Computational Cost

Median filtering is a commonly used technique in image processing. The main problem of the median filter is its high computational cost (for sorting N pixels, the temporal complexity is O(N·log N), even with the most efficient sorting algorithms). When the median filter must be carried out in real time, the software implementation in general-purpose processorsdoes not usually give good results. This Paper presents an efficient algorithm for median filtering with a 3x3 filter kernel with only about 9 comparisons per pixel using spatial coherence between neighboring filter computations. The basic algorithm calculates two medians in one step and reuses sorted slices of three vertical neighboring pixels. An extension of this algorithm for 2D spatial coherence is also examined, which calculates four medians per step.

Modeling the Effects of O-sulfonation on the CID of Serine

2020 ◽  
Author(s):  
Kenneth Lucas ◽  
George Barnes
Keyword(s):  
Sulfo Group ◽  
High Energy ◽  
Empirical Method ◽  
Side Chain ◽  
Energy Structure ◽  
Direct Dynamics ◽  
Theoretical Mass ◽  
Intermolecular Proton Transfer ◽  
Dynamics Simulations ◽  
Semi Empirical

We present the results of direct dynamics simulations and DFT calculations aimed at elucidating the effect of \textit{O}-sulfonation on the collision induced dissociation for serine. Towards this end, direct dynamics simulations of both serine and sulfoserine were performed at multiple collision energies and theoretical mass spectra obtained. Comparisons to experimental results are favorable for both systems. Peaks related to the sulfo group are identified and the reaction dynamics explored. In particular, three significant peaks (m\z 106, 88, and 81) seen in the theoretical mass spectrum directly related to the sulfo group are analyzed as well as major peaks shared by both systems. Our analysis shows that the m\z 106 peaks result from intramolecular rearrangements, intermolecular proton transfer among complexes composed of initial fragmentation products, and at high energy side-chain fragmentation. The \mz 88 peak was found to contain multiple constitutional isomers, including a previously unconsidered, low energy structure. It was also seen that the RM1 semi empirical method was not able to obtain all of the major peaks seen in experiment for sulfoserine. In contrast, PM6 did obtain all major experimental peaks.

Theoretical investigation of Ramachandran plot of N-formyl-L-alanine-amide

2019 ◽  
Author(s):  
Chem Int
Keyword(s):  
Genetic Algorithm ◽  
Theoretical Investigation ◽  
Energy Analysis ◽  
Empirical Method ◽  
Conformational Space ◽  
Ramachandran Plot ◽  
Global Minima ◽  
Reasonable Time ◽  
Semi Empirical

The full conformational space of N-formyl-L-alanine-amide was explored by the semi-empirical method AM1 coupled to the Multi Niche Crowding (MNC) genetic algorithm implemented in a package of programs developed in our laboratory. The structural and energy analysis of the resulting conformational space E(,ψ) exhibits 5 regions or minima ɣL, ɣD, ɛL, D and αD. The technique provides better detection of local and global minima within a reasonable time.

Methods for studying dissolved oxygen levels in coastal and estuarine waters receiving combined sewer overflows

1995 ◽  
Vol 32 (2) ◽  
pp. 95-103
Author(s):  
José A. Revilla ◽  
Kalin N. Koev ◽  
Rafael Díaz ◽  
César Álvarez ◽  
Antonio Roldán
Keyword(s):  
Dissolved Oxygen ◽  
Coastal Waters ◽  
Computational Cost ◽  
Oxygen Deficit ◽  
Alternative Methods ◽  
Coastal Zones ◽  
Combined Sewer Overflows ◽  
Sewer Systems ◽  
Combined Sewer ◽  
High Computational Cost

One factor in determining the transport capacity of coastal interceptors in Combined Sewer Systems (CSS) is the reduction of Dissolved Oxygen (DO) in coastal waters originating from the overflows. The study of the evolution of DO in coastal zones is complex. The high computational cost of using mathematical models discriminates against the required probabilistic analysis being undertaken. Alternative methods, based on such mathematical modelling, employed in a limited number of cases, are therefore needed. In this paper two alternative methods are presented for the study of oxygen deficit resulting from overflows of CSS. In the first, statistical analyses focus on the causes of the deficit (the volume discharged). The second concentrates on the effects (the concentrations of oxygen in the sea). Both methods have been applied in a study of the coastal interceptor at Pasajes Estuary (Guipúzcoa, Spain) with similar results.

scholarly journals Visualizing Profiles of Large Datasets of Weighted and Mixed Data

Mathematics ◽  
2021 ◽  
Vol 9 (8) ◽  
pp. 891
Author(s):  
Aurea Grané ◽  
Alpha A. Sow-Barry
Keyword(s):  
Multidimensional Scaling ◽  
Random Sample ◽  
Simulation Study ◽  
Clustering Algorithm ◽  
Computational Cost ◽  
Interpolation Formula ◽  
Large Datasets ◽  
Mixed Data ◽  
Multivariate Techniques ◽  
High Computational Cost

This work provides a procedure with which to construct and visualize profiles, i.e., groups of individuals with similar characteristics, for weighted and mixed data by combining two classical multivariate techniques, multidimensional scaling (MDS) and the k-prototypes clustering algorithm. The well-known drawback of classical MDS in large datasets is circumvented by selecting a small random sample of the dataset, whose individuals are clustered by means of an adapted version of the k-prototypes algorithm and mapped via classical MDS. Gower’s interpolation formula is used to project remaining individuals onto the previous configuration. In all the process, Gower’s distance is used to measure the proximity between individuals. The methodology is illustrated on a real dataset, obtained from the Survey of Health, Ageing and Retirement in Europe (SHARE), which was carried out in 19 countries and represents over 124 million aged individuals in Europe. The performance of the method was evaluated through a simulation study, whose results point out that the new proposal solves the high computational cost of the classical MDS with low error.

Reliability and reliability-based sensitivity analysis of self-centering buckling restrained braces using meta-models

2021 ◽  
pp. 1045389X2110263
Author(s):  
Seyede Vahide Hashemi ◽  
Mahmoud Miri ◽  
Mohsen Rashki ◽  
Sadegh Etedali
Keyword(s):  
Failure Probability ◽  
Limit State ◽  
Computational Cost ◽  
Sensitivity Analyses ◽  
State Function ◽  
Reliability Indices ◽  
Buckling Restrained Brace ◽  
Polynomial Response Surface ◽  
Nonlinear Dynamic Analyses ◽  
High Computational Cost

This paper aims to carry out sensitivity analyses to study how the effect of each design variable on the performance of self-centering buckling restrained brace (SC-BRB) and the corresponding buckling restrained brace (BRB) without shape memory alloy (SMA) rods. Furthermore, the reliability analyses of BRB and SC-BRB are performed in this study. Considering the high computational cost of the simulation methods, three Meta-models including the Kriging, radial basis function (RBF), and polynomial response surface (PRSM) are utilized to construct the surrogate models. For this aim, the nonlinear dynamic analyses are conducted on both BRB and SC-BRB by using OpenSees software. The results showed that the SMA area, SMA length ratio, and BRB core area have the most effect on the failure probability of SC-BRB. It is concluded that Kriging-based Monte Carlo Simulation (MCS) gives the best performance to estimate the limit state function (LSF) of BRB and SC-BRB in the reliability analysis procedures. Considering the effects of changing the maximum cyclic loading on the failure probability computation and comparison of the failure probability for different LSFs, it is also found that the reliability indices of SC-BRB were always higher than the corresponding reliability indices determined for BRB which confirms the performance superiority of SC-BRB than BRB.

scholarly journals How Good Is the STW Sensor? An Account from a Larger Shipping Company

2021 ◽  
Vol 9 (5) ◽  
pp. 465
Author(s):  
Angelos Ikonomakis ◽  
Ulrik Dam Nielsen ◽  
Klaus Kähler Holst ◽  
Jesper Dietz ◽  
Roberto Galeazzi
Keyword(s):  
High Frequency ◽  
Additional Data ◽  
Empirical Method ◽  
Influential Factor ◽  
Sensor Data ◽  
Sea State ◽  
Shipping Company ◽  
Frequency Sensor ◽  
Semi Empirical

This paper examines the statistical properties and the quality of the speed through water (STW) measurement based on data extracted from almost 200 container ships of Maersk Line’s fleet for 3 years of operation. The analysis uses high-frequency sensor data along with additional data sources derived from external providers. The interest of the study has its background in the accuracy of STW measurement as the most important parameter in the assessment of a ship’s performance analysis. The paper contains a thorough analysis of the measurements assumed to be related with the STW error, along with a descriptive decomposition of the main variables by sea region including sea state, vessel class, vessel IMO number and manufacturer of the speed-log installed in each ship. The paper suggests a semi-empirical method using a threshold to identify potential error in a ship’s STW measurement. The study revealed that the sea region is the most influential factor for the STW accuracy and that 26% of the ships of the dataset’s fleet warrant further investigation.

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