Investigation of the Stability Mechanisms of Eight-Atom Binary Metal Clusters Using DFT Calculations and k-means Clustering Algorithm

2021 ◽  
Author(s):  
Felipe Orlando Morais ◽  
Karla F. Andriani ◽  
Juarez L. F. Da Silva
Keyword(s):  
Dft Calculations ◽  
Clustering Algorithm ◽  
Metal Clusters ◽  
Binary Metal ◽  
The Stability

Developing Multi-Tier Network Design for Effective Energy Consumption of Cluster Head Selection in WSN

2016 ◽  
Vol 13 (1) ◽  
pp. 116
Author(s):  
Wan Isni Sofiah Wan Din ◽  
Saadiah Yahya ◽  
Mohd Nasir Taib ◽  
Ahmad Ihsan Mohd Yassin ◽  
Razulaimi Razali
Keyword(s):  
Sensor Network ◽  
Clustering Algorithm ◽  
Cluster Head ◽  
Residual Energy ◽  
Sensor Nodes ◽  
Cluster Head Selection ◽  
Energy Usage ◽  
Network Cluster ◽  
Fuzzy Logic Approach ◽  
The Stability

Clustering in Wireless Sensor Network (WSN) is one of the methods to minimize the energy usage of sensor network. The design of sensor network itself can prolong the lifetime of network. Cluster head in each cluster is an important part in clustering to ensure the lifetime of each sensor node can be preserved as it acts as an intermediary node between the other sensors. Sensor nodes have the limitation of its battery where the battery is impossible to be replaced once it has been deployed. Thus, this paper presents an improvement of clustering algorithm for two-tier network as we named it as Multi-Tier Algorithm (MAP). For the cluster head selection, fuzzy logic approach has been used which it can minimize the energy usage of sensor nodes hence maximize the network lifetime. MAP clustering approach used in this paper covers the average of 100Mx100M network and involves three parameters that worked together in order to select the cluster head which are residual energy, communication cost and centrality. It is concluded that, MAP dominant the lifetime of WSN compared to LEACH and SEP protocols. For the future work, the stability of this algorithm can be verified in detailed via different data and energy. 

scholarly journals An Efficient Leader Node Selection for Movable Nodes in WSN using PSO Technique

2019 ◽  
Vol 8 (6) ◽  
pp. 5072-5078
Keyword(s):  
Energy Efficient ◽  
Network Performance ◽  
Clustering Algorithm ◽  
Group Formation ◽  
Residual Energy ◽  
Sensor Nodes ◽  
Delivery Ratio ◽  
Efficient Prediction ◽  
The Stability ◽  
Effective Group

Wireless Sensor Networks (WSN) is a group of sensor devices, which are used to sense the surroundings. The network performance is still an issue in the WSN and an efficient protocol is introduced such as LEACH. To improve the stability, LEACH with fuzzy descriptors is used in preceding research. However the existing has drawback with effective group formation in heterogeneous WSN and also it is not achieved the Super Leader Node (SLH). To overcome the above mentioned issues, the proposed system enhances the approach which is used for increasing the energy consumption, packet delivery ratio, and bandwidth and network lifetime. The proposed paper contains three phases such as grouping formation, Leader Node (LN) selection, SLN selection with three main objectives:(i) to acquire Energy-Efficient Prediction Clustering Algorithm (EEPCA) in heterogeneous WSN for grouping formation (ii)To design Low Energy Adaptive Clustering Hierarchy- Expected Residual Energy (LEACH-ERE) protocol for LN selection.(iii)To optimize the SCH selection by Particle Swarm Optimization (PSO) based fuzzy approach. The clustering formation is done by Energy-Efficient Prediction Clustering Algorithm (EEPCA) in heterogeneous WSN. It is used to calculate the sensor nodes which have shortest distance between each node. The LEACH-ERE protocol was proposed to form a Leader Node (LN) and all the nodes has to communicate with sink through LN only. New SLN is elected based on distance from the sink and battery power of the node.

scholarly journals Hybrid K Mean Clustering Algorithm for Crop Production Analysis in Agriculture

2019 ◽  
Vol 9 (2S) ◽  
pp. 9-13
Keyword(s):  
Cluster Analysis ◽  
Precision Agriculture ◽  
Crop Production ◽  
Clustering Algorithm ◽  
Research Work ◽  
K Value ◽  
Clustering Technique ◽  
Production Analysis ◽  
Initial Cluster ◽  
The Stability

The proposed research work aims to perform the cluster analysis in the field of Precision Agriculture. The k-means technique is implemented to cluster the agriculture data. Selecting K value plays a major role in k-mean algorithm. Different techniques are used to identify the number of cluster value (k-value). Identification of suitable initial centroid has an important role in k-means algorithm. In general it will be selected randomly. In the proposed work to get the stability in the result Hybrid K-Mean clustering is used to identify the initial centroids. Since initial cluster centers are well defined Hybrid K-Means acts as a stable clustering technique.

scholarly journals Temperature dependent chiroptical response of sigmoidal gold clusters: probing the stability of chiral metal clusters

2018 ◽  
Vol 9 (25) ◽  
pp. 5614-5622 ◽  
Author(s):  
Ping Guo ◽  
Biao Yang ◽  
Li Zhang ◽  
Liang Zhao
Keyword(s):  
Metal Clusters ◽  
Gold Cluster ◽  
Gold Clusters ◽  
Cluster Compounds ◽  
Structural Factors ◽  
Temperature Dependent ◽  
Cluster Stability ◽  
The Stability

Three chiral gold cluster compounds are herein selected to probe how structural factors influence the cluster stability upon heating.

Role of Quantum-size Effects on the Dehydrogenation of CH4 on 3d TMn Clusters: DFT Calculations Combined with Data Mining

2022 ◽  
Author(s):  
Karla Furtado Andriani ◽  
Priscilla Felício Sousa ◽  
Felipe Orlando Morais ◽  
Juarez L. F. Da Silva
Keyword(s):  
Data Mining ◽  
Transition Metal ◽  
Dft Calculations ◽  
Theoretical Investigation ◽  
Size Effects ◽  
Metal Clusters ◽  
Quantum Size Effects ◽  
Transition Metal Clusters ◽  
Quantum Size

In this work, we report a theoretical investigation of the role of quantum-size effects (QSE) on the dehydrogenation of methane (CH4) on 3d transition-metal clusters, TMn , where TM =...

Defects of monolayer PbI2: a computational study

2021 ◽  
Vol 23 (36) ◽  
pp. 20553-20559
Author(s):  
Han Wang ◽  
Xiao Wang ◽  
Da Li
Keyword(s):  
Dft Calculations ◽  
Electronic Properties ◽  
Systematic Study ◽  
Computational Study ◽  
The Stability ◽  
The Impact

We performed a systematic study on the defects in PbI2 of both 1T and 1H phases by DFT calculations. The stability at the neutral and charged states was calculated. The impact of the defects on the electronic properties was also discussed.

Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs2PuSi6O15

2020 ◽  
Vol 56 (66) ◽  
pp. 9501-9504
Author(s):  
Kristen A. Pace ◽  
Vladislav V. Klepov ◽  
Matthew S. Christian ◽  
Gregory Morrison ◽  
Travis K. Deason ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Crystal Growth ◽  
Dft Calculations ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Crystal Chemical ◽  
The Novel ◽  
Functional Theory ◽  
The Stability ◽  
Chemical Reasoning

The stability of the novel Pu(iv) silicate, Cs2PuSi6O15, was predicted from a combination of crystal chemical reasoning and DFT calculations and confirmed by its synthesis via flux crystal growth.

TOWARDS DFT CALCULATIONS OF METAL CLUSTERS IN QUANTUM FLUID MATRICES

2011 ◽  
Author(s):  
S. A. CHIN ◽  
S. JANECEK ◽  
E. KROTSCHECK ◽  
M. LIEBRECHT
Keyword(s):  
Dft Calculations ◽  
Metal Clusters ◽  
Quantum Fluid

scholarly journals CHEMISORPTION OF ENROFLOXACIN ON RUTILE-TIO2 (110) SURFACE: A THEORETICAL INVESTIGATION

2019 ◽  
Vol 57 (4) ◽  
pp. 449
Author(s):  
Trung Tien Nguyen ◽  
Tri Ngoc Nguyen ◽  
Dai Quoc Ho
Keyword(s):  
Hydrogen Bond ◽  
Chemical Analysis ◽  
Dft Calculations ◽  
Quantum Chemical ◽  
Adsorption Process ◽  
Stable Configuration ◽  
Quantum Chemical Analysis ◽  
Rutile Tio2 ◽  
The Stability

We investigated the adsorption of enrofloxacin (ENR) antibiotic on rutile-TiO2 (r-TiO2­) (110) surface using DFT calculations. Stable configurations of the adsorption of ENR on r-TiO2 (110) were observed. The origin and role of interactions in stablizing the configurations are thoroughly analyzed using NBO and AIM analyses. Obtained results indicate that the adsorption process is characterized as a strong chemisorption with an associated energy of ca. -35.1 kcal.mol-1 for the most stable configuration. Quantum chemical analysis shows that the stability of configurations is mainly determined by >C=O∙∙∙Ti5f electrostatic interaction along with supplement of H∙∙∙Ob hydrogen bond.

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