scholarly journals Fermi sea term in the relativistic linear muffin-tin-orbital transport theory for random alloys

2014 ◽  
Vol 89 (6) ◽  
Author(s):  
I. Turek ◽  
J. Kudrnovský ◽  
V. Drchal
Keyword(s):  
Transport Theory ◽  
Random Alloys ◽  
Linear Muffin Tin Orbital

AN AUGMENTED SPACE-BASED CLUSTER COHERENT POTENTIAL APPROXIMATION: APPLICATION TO CuAu AND NiAl ALLOYS

2011 ◽  
Vol 25 (05) ◽  
pp. 735-745
Author(s):  
MOSHIOUR RAHAMAN ◽  
ABHIJIT MOOKERJEE
Keyword(s):  
Magnetic Properties ◽  
Tight Binding ◽  
Local Environment ◽  
Coherent Potential Approximation ◽  
Orbital Method ◽  
Potential Approximation ◽  
Augmented Space ◽  
Space Formalism ◽  
Random Alloys ◽  
Linear Muffin Tin Orbital

We use cluster generalization of the coherent potential approximation in the tight-binding linear muffin-tin orbital method to account for the effect of the local environment on electronic and magnetic properties of substitutional random alloys. This theory combines the augmented space formalism and conventional tight-binding linear muffin-tin orbital methods. In particular, we shall apply the technique to the bcc-based NiAl and fcc-based CuAu alloys and also compare with other approaches.

scholarly journals Modeling Epidemic Spread among a Commuting Population Using Transport Schemes

Mathematics ◽  
2021 ◽  
Vol 9 (16) ◽  
pp. 1861
Author(s):  
Daniela Calvetti ◽  
Alexander P. Hoover ◽  
Johnie Rose ◽  
Erkki Somersalo
Keyword(s):  
Network Model ◽  
Transport Theory ◽  
Optimal Transport ◽  
State Level ◽  
Compartment Model ◽  
Census Bureau ◽  
Mitigation Strategies ◽  
Mitigation Measures ◽  
Metapopulation Model ◽  
Infection Dynamics

Understanding the dynamics of the spread of COVID-19 between connected communities is fundamental in planning appropriate mitigation measures. To that end, we propose and analyze a novel metapopulation network model, particularly suitable for modeling commuter traffic patterns, that takes into account the connectivity between a heterogeneous set of communities, each with its own infection dynamics. In the novel metapopulation model that we propose here, transport schemes developed in optimal transport theory provide an efficient and easily implementable way of describing the temporary population redistribution due to traffic, such as the daily commuter traffic between work and residence. Locally, infection dynamics in individual communities are described in terms of a susceptible-exposed-infected-recovered (SEIR) compartment model, modified to account for the specific features of COVID-19, most notably its spread by asymptomatic and presymptomatic infected individuals. The mathematical foundation of our metapopulation network model is akin to a transport scheme between two population distributions, namely the residential distribution and the workplace distribution, whose interface can be inferred from commuter mobility data made available by the US Census Bureau. We use the proposed metapopulation model to test the dynamics of the spread of COVID-19 on two networks, a smaller one comprising 7 counties in the Greater Cleveland area in Ohio, and a larger one consisting of 74 counties in the Pittsburgh–Cleveland–Detroit corridor following the Lake Erie’s American coastline. The model simulations indicate that densely populated regions effectively act as amplifiers of the infection for the surrounding, less densely populated areas, in agreement with the pattern of infections observed in the course of the COVID-19 pandemic. Computed examples show that the model can be used also to test different mitigation strategies, including one based on state-level travel restrictions, another on county level triggered social distancing, as well as a combination of the two.

scholarly journals Band degeneracy enhanced thermoelectric performance in layered oxyselenides by first-principles calculations

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Ning Wang ◽  
Menglu Li ◽  
Haiyan Xiao ◽  
Zhibin Gao ◽  
Zijiang Liu ◽  
...  
Keyword(s):  
Density Functional ◽  
Transport Theory ◽  
Relaxation Times ◽  
Wide Band ◽  
Type Systems ◽  
Model Systems ◽  
Boltzmann Transport ◽  
Seebeck Coefficients ◽  
Boltzmann Transport Theory ◽  
P Type

AbstractBand degeneracy is effective in optimizing the power factors of thermoelectric (TE) materials by enhancing the Seebeck coefficients. In this study, we demonstrate this effect in model systems of layered oxyselenide family by the density functional theory (DFT) combined with semi-classical Boltzmann transport theory. TE transport performance of layered LaCuOSe and BiCuOSe are fully compared. The results show that due to the larger electrical conductivities caused by longer electron relaxation times, the n-type systems show better TE performance than p-type systems for both LaCuOSe and BiCuOSe. Besides, the conduction band degeneracy of LaCuOSe leads to a larger Seebeck coefficient and a higher optimal carrier concentration than n-type BiCuOSe, and thus a higher power factor. The optimal figure of merit (ZT) value of 1.46 for n-type LaCuOSe is 22% larger than that of 1.2 for n-type BiCuOSe. This study highlights the potential of wide band gap material LaCuOSe for highly efficient TE applications, and demonstrates that inducing band degeneracy by cations substitution is an effective way to enhance the TE performance of layered oxyselenides.

scholarly journals Wildlife Monitoring Using a Multi-UAV System with Optimal Transport Theory

2021 ◽  
Vol 11 (9) ◽  
pp. 4070
Author(s):  
Rabiul Hasan Kabir ◽  
Kooktae Lee
Keyword(s):  
Detection Rate ◽  
Transport Theory ◽  
Optimal Transport ◽  
Position Estimation ◽  
Wildlife Monitoring ◽  
High Detection Rate ◽  
Monitoring Strategies ◽  
Spatio Temporal ◽  
Optimal Transport Theory ◽  
Multi Uav

This paper addresses a wildlife monitoring problem using a team of unmanned aerial vehicles (UAVs) with the optimal transport theory. The state-of-the-art technology using UAVs has been an increasingly popular tool to monitor wildlife compared to the traditional methods such as satellite imagery-based sensing or GPS trackers. However, there still exist unsolved problems as to how the UAVs need to cover a spacious domain to detect animals as many as possible. In this paper, we propose the optimal transport-based wildlife monitoring strategy for a multi-UAV system, to prioritize monitoring areas while incorporating complementary information such as GPS trackers and satellite-based sensing. Through the proposed scheme, the UAVs can explore the large-size domain effectively and collaboratively with a given priority. The time-varying nature of wildlife due to their movements is modeled as a stochastic process, which is included in the proposed work to reflect the spatio-temporal evolution of their position estimation. In this way, the proposed monitoring plan can lead to wildlife monitoring with a high detection rate. Various simulation results including statistical data are provided to validate the proposed work. In all different simulations, it is shown that the proposed scheme significantly outperforms other UAV-based wildlife monitoring strategies in terms of the target detection rate up to 3.6 times.

scholarly journals Modelling of Humidity Dynamics for Open-Cathode Proton Exchange Membrane Fuel Cell

2021 ◽  
Vol 12 (3) ◽  
pp. 106
Author(s):  
Fengxiang Chen ◽  
Liming Zhang ◽  
Jieran Jiao
Keyword(s):  
Fuel Cell ◽  
Mass Flow ◽  
Proton Exchange Membrane ◽  
Flow Model ◽  
Transport Theory ◽  
Gas Diffusion ◽  
Proton Exchange ◽  
Operating Conditions ◽  
Output Performance ◽  
Exchange Membrane

The durability and output performance of a fuel cell is highly influenced by the internal humidity, while in most developed models of open-cathode proton exchange membrane fuel cells (OC-PEMFC) the internal water content is viewed as a fixed value. Based on mass and energy conservation law, mass transport theory and electrochemistry principles, the model of humidity dynamics for OC-PEMFC is established in Simulink® environment, including the electrochemical model, mass flow model and thermal model. In the mass flow model, the water retention property and oxygen transfer characteristics of the gas diffusion layer is modelled. The simulation indicates that the internal humidity of OC-PEMFC varies with stack temperature and operating conditions, which has a significant influence on stack efficiency and output performance. In order to maintain a good internal humidity state during operation, this model can be used to determine the optimal stack temperature and for the design of a proper control strategy.

Sign in / Sign up

Export Citation Format

Share Document