Effect of Tensile Strain on Performance Parameters of Different Structures of MoS2 Monolayer

2021 ◽  
Author(s):  
Priya kaushal ◽  
Tarun Chaudhary ◽  
Gargi Khanna
Keyword(s):  
Tensile Strain ◽  
Computational Study ◽  
Level Structure ◽  
Charge Carriers ◽  
Performance Parameters ◽  
Mos2 Monolayer ◽  
Higher Temperature ◽  
Silicon Doped ◽  
The Impact ◽  
Biaxial Tensile Strain

Abstract The present work is based on the computational study of MoS2 monolayer and effect of tensile strain on its atomic level structure. The bandgap for MoS2 monolayer, defected MoS2 monolayer and Silicon-doped monolayer are 1.82 eV (direct bandgap), 0.04 (indirect bandgap) and 1.25eV (indirect bandgap), respectively. The impact of tensile strain (0-0.7%) on the bandgap and effective mass of charge carriers of these three MoS2 structure has been investigated. The bandgap decrease of 5.76%, 31.86% and 6.03% has been observed in the three structures for biaxial strain while the impact of uniaxial strain is quite low. The impact of higher temperature on the bandgap under biaxial tensile strain has been also analyzed in this paper. These observations are extremely important for 2D material-based research for electronic applications.

Relation Between Local Structure, Electric Dipole and Charge Carrier Dynamics in DHICA Melanin, a Model for Biocompatible Semiconductors

2019 ◽  
Author(s):  
Micaela Matta ◽  
Alessandro Pezzella ◽  
Alessandro Troisi
Keyword(s):  
Electronic Structure ◽  
Degrees Of Freedom ◽  
Structural Model ◽  
Computational Study ◽  
Oxidative Polymerization ◽  
Radical Scavenging ◽  
Charge Carriers ◽  
Electronic Charge ◽  
Polymer Semiconductors ◽  
Synthetic Pigments

<div><div><div><p>Eumelanins are a family of natural and synthetic pigments obtained by oxidative polymerization of their natural precursors: 5,6 dihydroxyindole and its 2-carboxy derivative (DHICA). The simultaneous presence of ionic and electronic charge carriers makes these pigments promising materials for applications in bioelectronics. In this computational study we build a structural model of DHICA melanin considering the interplay between its many degrees of freedom, then we examine the electronic structure of representative oligomers. We find that a non-vanishing dipole along the polymer chain sets this system apart from conventional polymer semiconductors, determining its electronic structure, reactivity toward oxidation and localization of the charge carriers. Our work sheds light on previously unnoticed features of DHICA melanin that not only fit well with its radical scavenging and photoprotective properties, but open new perspectives towards understanding and tuning charge transport in this class of materials.<br></p></div></div></div>

scholarly journals The Prisoners’ Dilemma in collaborative carriers’ request selection

2021 ◽  
Vol 29 (1) ◽  
pp. 73-87 ◽  
Author(s):  
Margaretha Gansterer ◽  
Richard F. Hartl
Keyword(s):  
Computational Study ◽  
Logistics Industry ◽  
Individual Outcomes ◽  
Selection Strategies ◽  
Prisoners Dilemma ◽  
Trading Mechanisms ◽  
And Behavior ◽  
The Impact ◽  
Idle Capacity

AbstractLogistics providers have to utilize available capacities efficiently in order to cope with increasing competition and desired quality of service. One possibility to reduce idle capacity is to build coalitions with other players on the market. While the willingness to enter such coalitions does exist in the logistics industry, the success of collaborations strongly depends on mutual trust and behavior of participants. Hence, a proper mechanism design, where carriers do not have incentives to deviate from jointly established rules, is needed. We propose to use a combinatorial auction system, for which several properties are already well researched but little is known about the auction’s first phase, where carriers have to decide on the set of requests offered to the auction. Profitable selection strategies, aiming at maximization of total collaboration gains, do exist. However, the impact on individual outcomes, if one or more players deviate from jointly agreed selection rules is yet to be researched. We analyze whether participants in an auction-based transport collaboration face a Prisoners’ Dilemma. While it is possible to construct such a setting, our computational study reveals that carriers do not profit from declining the cooperative strategy. This is an important and insightful finding, since it further strengthens the practical applicability of auction-based trading mechanisms in collaborative transportation.

scholarly journals Impact of temperature and relative humidity on the transmission of COVID-19: a modelling study in China and the United States

BMJ Open ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. e043863
Author(s):  
Jingyuan Wang ◽  
Ke Tang ◽  
Kai Feng ◽  
Xin Lin ◽  
Weifeng Lv ◽  
...  
Keyword(s):  
Regression Analysis ◽  
Relative Humidity ◽  
Human Mobility ◽  
The United States ◽  
Reproductive Number ◽  
Cross Sectional ◽  
The Usa ◽  
Higher Temperature ◽  
Potential Impact ◽  
The Impact

ObjectivesWe aim to assess the impact of temperature and relative humidity on the transmission of COVID-19 across communities after accounting for community-level factors such as demographics, socioeconomic status and human mobility status.DesignA retrospective cross-sectional regression analysis via the Fama-MacBeth procedure is adopted.SettingWe use the data for COVID-19 daily symptom-onset cases for 100 Chinese cities and COVID-19 daily confirmed cases for 1005 US counties.ParticipantsA total of 69 498 cases in China and 740 843 cases in the USA are used for calculating the effective reproductive numbers.Primary outcome measuresRegression analysis of the impact of temperature and relative humidity on the effective reproductive number (R value).ResultsStatistically significant negative correlations are found between temperature/relative humidity and the effective reproductive number (R value) in both China and the USA.ConclusionsHigher temperature and higher relative humidity potentially suppress the transmission of COVID-19. Specifically, an increase in temperature by 1°C is associated with a reduction in the R value of COVID-19 by 0.026 (95% CI (−0.0395 to −0.0125)) in China and by 0.020 (95% CI (−0.0311 to −0.0096)) in the USA; an increase in relative humidity by 1% is associated with a reduction in the R value by 0.0076 (95% CI (−0.0108 to −0.0045)) in China and by 0.0080 (95% CI (−0.0150 to −0.0010)) in the USA. Therefore, the potential impact of temperature/relative humidity on the effective reproductive number alone is not strong enough to stop the pandemic.

scholarly journals Multi-platform app-embedded model for hybrid air-breathing rocket-cycle engine in hypersonic atmospheric ascent

2021 ◽  
pp. 1-23
Author(s):  
S.E. Tsentis ◽  
V.G. Gkoutzamanis ◽  
A.D. Gaitanis ◽  
A.I. Kalfas
Keyword(s):  
Specific Impulse ◽  
Performance Parameters ◽  
Interested Reader ◽  
Component Level ◽  
Air Breathing ◽  
Evaluation Of Performance ◽  
Embedded Model ◽  
The Impact ◽  
Rocket Technology ◽  
Engine Concept

ABSTRACT This paper presents a performance analysis on a novel engine concept, currently under development, in order to achieve hybrid air-breathing rocket technology. A component-level approach has been developed to simulate the performance of the engine at Mach 5, and the thermodynamic interaction of the different working fluids has been analysed. The bypass ramjet duct has also been included in the model. This facilitates the improved evaluation of performance parameters. The impact of ram drag induced by the intake of the engine has also been demonstrated. The whole model is introduced into a multi-platform application for aeroengine simulation to make it accessible to the interested reader. Results show that the bypass duct modelling increases the overall efficiency by approximately 7%. The model calculates the specific impulse at approximately 1800 seconds, which is 4 times higher than any chemical rocket.

237 Stable Performance with Reduced Antibiotic Use in Piglets Vaccinated with an E. coli F4/F18 Vaccine for the Prevention of F18-ETEC Post-weaning Diarrhea

2021 ◽  
Vol 99 (Supplement_1) ◽  
pp. 139-140
Author(s):  
Frédéric A Vangroenweghe
Keyword(s):  
Antibiotic Use ◽  
Watery Diarrhea ◽  
Economic Losses ◽  
Standard Group ◽  
Performance Parameters ◽  
Oral Vaccination ◽  
E Coli ◽  
Technical Performance ◽  
Stable Performance ◽  
The Impact

Abstract Post-weaning Escherichia coli diarrhea (PWD) remains a major cause of economic losses for the pig industry. PWD, caused by enterotoxigenic E. coli (ETEC), typically provokes mild to severe watery diarrhea between 5–10 days after weaning. Recently, an oral live bivalent E. coli F4/F18 vaccine (Coliprotec® F4/F18; Elanco) was approved on the European market, which reduces the impact of PWD provoked by F4-ETEC and F18-ETEC. The objective was to compare technical results and antibiotic use following E. coli F4/F18 vaccination with previous standard therapeutic approach under field conditions. A 1600-sow farm (weaning at 26 days) with diagnosed problems of PWD due to F18-ETEC was selected. Piglets were vaccinated at 21 days with the oral live bivalent E. coli F4/F18 vaccine. At weaning, no standard group medication (ZnO and antibiotics) was applied for prevention of PWD. Several performance parameters were collected: treatment incidence (TI100), mortality and days in nursery. Statistical analysis was performed using JMP 14.0 – comparison of means. Oral E. coli F4/F18 vaccination significantly reduced TI100 (7 ± 2 days to 0 ± 1 days; P &lt; 0.05). Mortality rate remained stable (2.05% in Control to 1.96% in Vaccinated group; P &lt; 0.05). Days in nursery (40 ± 3 days) remained at the same level compared to pre-vaccination. The results show that live E. coli F4/F18 vaccination against PWD has led to similar technical performance parameters and mortality, in combination with a significant reduction in medication use. In conclusion, control of PWD through oral vaccination is a successful option in order to prevent piglets from the negative clinical outcomes of F18-ETEC infection during the post-weaning period.

Vacancy-Induced High Activity of MoS2 Monolayer for CO Electroreduction: A Computational Study

2021 ◽  
Author(s):  
Dongxu Jiao ◽  
Yu Tian ◽  
Yue-jie Liu ◽  
Qinghai Cai ◽  
Jing-Xiang Zhao
Keyword(s):  
High Activity ◽  
High Selectivity ◽  
Computational Study ◽  
Attractive Alternative ◽  
Fischer Tropsch ◽  
Mos2 Monolayer ◽  
Carbon Based

The electroreduction of CO (COER) into valuable carbon-based chemicals is an attractive alternative to the traditional Fischer–Tropsch process, in which the development of electrocatalysts with high activity and high selectivity...

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