1,387 research outputs found
Role of Strain on Electronic and Mechanical Response of Semiconducting Transition-Metal Dichalcogenide Monolayers: an ab-initio study
We characterize the electronic structure and elasticity of monolayer
transition-metal dichalcogenides MX2 (M=Mo, W, Sn, Hf and X=S, Se, Te) with 2H
and 1T structures using fully relativistic first principles calculations based
on density functional theory. We focus on the role of strain on the band
structure and band alignment across the series 2D materials. We find that
strain has a significant effect on the band gap; a biaxial strain of 1%
decreases the band gap in the 2H structures, by as a much 0.2 eV in MoS2 and
WS2, while increasing it for the 1T materials. These results indicate that
strain is a powerful avenue to modulate their properties; for example, strain
enables the formation of, otherwise impossible, broken gap heterostructures
within the 2H class. These calculations provide insight and quantitative
information for the rational development of heterostructures based on these
class of materials accounting for the effect of strain.Comment: 16 pages, 4 figures, 1 table, supplementary materia
The dynamics of copper intercalated molybdenum ditelluride
Layered transition metal dichalcogenides are emerging as key materials in
nanoelectronics and energy applications. Predictive models to understand their
growth, thermomechanical properties and interactions with metals are needed in
order to accelerate their incorporation into commercial products. Interatomic
potentials enable large-scale atomistic simulations at the device level, beyond
the range of applications of first principle methods. We present a ReaxFF
reactive force field to describe molybdenum ditelluride and its interactions
with copper. We optimized the force field parameters to describe the properties
of layered MoTe2 in various phases, the intercalation of Cu atoms and clusters
within its van der Waals gap, including a proper description of energetics,
charges and mechanical properties. The training set consists of an extensive
set of first principle calculations computed from density functional theory. We
use the force field to study the adhesion of a single layer MoTe2 on a Cu(111)
surface and the results are in good agreement with density functional theory,
even though such structures were not part of the training set. We characterized
the mobility of the Cu ions intercalated into MoTe2 under the presence of an
external electric fields via molecular dynamics simulations. The results show a
significant increase in drift velocity for electric fields of approximately 0.4
V/A and that mobility increases with Cu ion concentration.Comment: 21 pages, 9 Figure
Effect of Ketamine on Social Avoidance in Socially Defeated Male and Female Syrian Hamsters
Social stress can cause or exacerbate neuropsychiatric illnesses such as depression. Unfortunately, currently available treatments for these disorders are slow to take effect and are often ineffective. One promising novel treatment option is the anesthetic ketamine, which may have rapid-acting antidepressant effects in humans and rodents. These rodent studies, however, have primarily used artificial stressors to produce depression-like responses. Our lab uses an ethologically relevant rodent model of social stress in Syrian hamsters. We tested whether a single, intraperitoneal dose of ketamine reduces social avoidance, a common symptom of mental disorders, in male and female Syrian hamsters that have experienced social stress. Social avoidance was tested one day after ketamine injection. Eight days later, subjects were defeated again, and tested for avoidance the following day. Ketamine reduced avoidance one day but not nine days post-injection. These data suggest that ketamine can act rapidly to prevent depressive-like responses to social stress
High Voltage Direct Current Energy Transmission Using Modular Multilevel Converters
This thesis focus on high voltage direct current (HVdc) energy transmission using modular multilevel converter (MMC) based terminals. It provides a brief comparison between different HVdc technologies, focusing on voltage source converters (HVdc-VSC) with the MMC-based terminal emerging as the topology of choice for ratings less than 1 GW. The controllers for a two-terminal HVdc-link are analyzed and Matlab/SimulinkTM simulation models are presented. The simplified models and full Matlab/SimulinkTM based model are used to select the gains for the MMC controllers. Simulation results carried out on the full model validated the proposed methodologies. A new control technique that eliminates the voltage sensors on the grid side normally used to synchronize the MMC-based terminal with the grid is proposed. The performance of proposed technique was evaluated through Matlab/SimulinkTM simulations by considering inverter operation. The sensorless technique is able to synchronize a MMC-based inverter terminal to a grid under non-ideal conditions as well to accurately detect changes in the grid voltages. Finally, an analysis of the impact that a 15-kV SiC IGBT would have on HVdc MMC-based terminals is presented. The analysis evaluates parasitic inductances within the sub-module (SM) of an MMC, changes on the required SM capacitance, and impact on the voltage waveform THD. The evaluations showed that the 15-kV SiC IGBT would be only suitable if the module is rated 400 A or greater
A Low Complexity 6DoF Magnetic Tracking System For Biomedical Applications
L'abstract è presente nell'allegato / the abstract is in the attachmen
- …