Effect of Defects and Electric Field on Stress-Induced Motion of 90° Domain Wall in PbTiO3: A Molecular Dynamics Study

2016 ◽  
pp. 135-143 ◽  
Author(s):  
Yoshitaka Umeno ◽  
Atsushi Kubo
Keyword(s):  
Molecular Dynamics ◽  
Domain Wall ◽  
Electric Field ◽  
Induced Motion

scholarly journals The Impact of the Electric Field on Surface Condensation of Water Vapor: Insight from Molecular Dynamics Simulation

Nanomaterials ◽  
2019 ◽  
Vol 9 (1) ◽  
pp. 64 ◽  
Author(s):  
Qin Wang ◽  
Hui Xie ◽  
Zhiming Hu ◽  
Chao Liu
Keyword(s):  
Molecular Dynamics ◽  
Water Vapor ◽  
Electric Field ◽  
Intermolecular Forces ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Attraction Force ◽  
Condensation Rate ◽  
Shape Transformation ◽  
The Impact

In this study, molecular dynamics simulations were carried out to study the coupling effect of electric field strength and surface wettability on the condensation process of water vapor. Our results show that an electric field can rotate water molecules upward and restrict condensation. Formed clusters are stretched to become columns above the threshold strength of the field, causing the condensation rate to drop quickly. The enhancement of surface attraction force boosts the rearrangement of water molecules adjacent to the surface and exaggerates the threshold value for shape transformation. In addition, the contact area between clusters and the surface increases with increasing amounts of surface attraction force, which raises the condensation efficiency. Thus, the condensation rate of water vapor on a surface under an electric field is determined by competition between intermolecular forces from the electric field and the surface.

A memory nanodevice based on Zn-MOF-74: a molecular dynamics study

2020 ◽  
Vol 8 (5) ◽  
pp. 1567-1570 ◽  
Author(s):  
Mikhail Suyetin ◽  
Thomas Heine
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Memory Element ◽  
Switching Speed ◽  
High Switching Speed ◽  
Element Density

C60−@Zn-MOF-74 operated by an electric field exhibits a combined high switching speed of 27 GB s−1 and a high memory element density of 106 Tb per inch2.

Molecular Dynamics Studies of Nanotube Growth in a Carbon ARC

1994 ◽  
Vol 359 ◽  
Author(s):  
C. J. Brabec ◽  
A. Maiti ◽  
C. Roland ◽  
J. Bernholc
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Electric Fields ◽  
Arc Discharge ◽  
Critical Diameter ◽  
Critical Factor ◽  
Carbon Arc ◽  
Dynamics Simulations ◽  
Nanotube Growth ◽  
Brenner Potential

ABSTRACTIt has been shown experimentally that the growth of carbon nanotubes in an arc discharge is open-ended. This is surprising, because dangling bonds at the end of open tubes make the closed tube geometry more favorable energetically. Recently, it has been proposed that the large electric fields present at the tip of tube is the critical factor that keeps the tube open. We have studied the effects of the electric field on the growth of the nanotubes via ab initio molecular dynamics simulations. Surprisingly, it is found that the electric field cannot play a significant role in keeping the tubes open, implying that some other mechanism must be important. Extensive studies of the energetics and simulations of the growth of tubes were performed using a threebody Tersoff-Brenner potential. Our results show that there exists a critical diameter of ∼ 3 nm above which a defect-free growth of a straight tubule is possible. Narrower tubes stabilize configurations with adjacent pentagons that lead to tube-closure and termination of the growth. This explains the absence of tube narrower than 2.2 nm in arc discharge experiments.

Hormones Nanofiltration in Carbon Nanotubes and Boron Nitride Nanotubes Using Uniform External Electric Field Through Molecular Dynamics

2021 ◽  
Vol 21 (11) ◽  
pp. 5499-5509
Author(s):  
Rosely Maria dos Santos Cavaleiro ◽  
Tiago da Silva Arouche ◽  
Phelipe Seiichi Martins Tanoue ◽  
Tais Souza Sá Pereira ◽  
Raul Nunes de Carvalho Junior ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Boron Nitride ◽  
Electric Field ◽  
Field Potential ◽  
Boron Nitride Nanotubes ◽  
Attractive Potential ◽  
Water Molecules ◽  
Computer Simulation Study ◽  
Simulation Time

Hormones are a dangerous group of molecules that can cause harm to humans. This study based on classical molecular dynamics proposes the nanofiltration of wastewater contaminated by hormones from a computer simulation study, in which the water and the hormone were filtered in two single-walled nanotube compositions. The calculations were carried out by changing the intensities of the electric field that acted as a force exerting pressure on the filtration along the nanotube, in the simulation time of 100 ps. The hormones studied were estrone, estradiol, estriol, progesterone, ethinylestradiol, diethylbestrol, and levonorgestrel in carbon nanotubes (CNTs) and boron nitride (BNNTs). The most efficient nanofiltrations were for fields with low intensities in the order of 10-8 au and 10-7 au. The studied nanotubes can be used in membranes for nanofiltration in water treatment plants due to the evanescent field potential caused by the action of the electric field inside. Our data showed that the action of EF in conjunction with the van der Walls forces of the nanotubes is sufficient to generate the attractive potential. Evaluating the transport of water molecules in CNTs and BNNTs, under the influence of the electric field, a sequence of simulations with the same boundary conditions was carried out, seeking to know the percentage of water molecules filtered in the nanotubes.

scholarly journals Electric field control of magnetic domain wall motion via modulation of the Dzyaloshinskii-Moriya interaction

2018 ◽  
Vol 4 (12) ◽  
pp. eaav0265 ◽  
Author(s):  
Tomohiro Koyama ◽  
Yoshinobu Nakatani ◽  
Jun’ichi Ieda ◽  
Daichi Chiba
Keyword(s):  
Domain Wall ◽  
Electric Field ◽  
Magnetic Domain ◽  
Domain Wall Motion ◽  
Asymmetric Structure ◽  
Velocity Change ◽  
Spintronic Devices ◽  
Electrical Manipulation ◽  
Substantial Change ◽  
Moriya Interaction

We show that the electric field (EF) can control the domain wall (DW) velocity in a Pt/Co/Pd asymmetric structure. With the application of a gate voltage, a substantial change in DW velocity up to 50 m/s is observed, which is much greater than that observed in previous studies. Moreover, modulation of a DW velocity exceeding 100 m/s is demonstrated in this study. An EF-induced change in the interfacial Dzyaloshinskii-Moriya interaction (DMI) up to several percent is found to be the origin of the velocity modulation. The DMI-mediated velocity change shown here is a fundamentally different mechanism from that caused by EF-induced anisotropy modulation. Our results will pave the way for the electrical manipulation of spin structures and dynamics via DMI control, which can enhance the performance of spintronic devices.

De-aging of Fe-doped lead-zirconate-titanate ceramics by electric field cycling: 180°- vs. non-180° domain wall processes

2012 ◽  
Vol 112 (3) ◽  
pp. 034103 ◽  
Author(s):  
Julia Glaum ◽  
Yuri A. Genenko ◽  
Hans Kungl ◽  
Ljubomira Ana Schmitt ◽  
Torsten Granzow
Keyword(s):  
Domain Wall ◽  
Electric Field ◽  
Lead Zirconate Titanate ◽  
Lead Zirconate ◽  
Zirconate Titanate ◽  
Field Cycling ◽  
Titanate Ceramics

Current-induced motion of a domain wall in a multilayer structure: Pressure vs torque

2007 ◽  
Vol 71 (11) ◽  
pp. 1521-1522
Author(s):  
A. K. Zvezdin ◽  
K. A. Zvezdin ◽  
Ya. V. Gorbunov ◽  
A. V. Khval’kovskii
Keyword(s):  
Domain Wall ◽  
Multilayer Structure ◽  
Induced Motion
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