scholarly journals Dynamic Behavior of Rotation Transmission Nano-System in Helium Environment: A Molecular Dynamics Study

Molecules ◽  
2021 ◽  
Vol 26 (17) ◽  
pp. 5199
Author(s):  
Pan Zheng ◽  
Wugui Jiang ◽  
Qinghua Qin ◽  
Duosheng Li
Keyword(s):  
Molecular Dynamics ◽  
Dynamic Behavior ◽  
Rotation Frequency ◽  
Density Range ◽  
End Effects ◽  
Sharp Drop ◽  
Gas Density ◽  
Factors Affecting ◽  
Critical Range ◽  
System Temperature

The molecular dynamics (MD) method is used to investigate the influence of the shielding gas on the dynamic behavior of the heterogeneous rotation transmission nano-system (RTS) built on carbon nanotubes (CNTs) and boron nitride nanotube (BNNT) in a helium environment. In the heterogeneous RTS, the inner CNT acts as a rotor, the middle BNNT serves as a motor, and the outer CNT functions as a stator. The rotor will be actuated to rotate by the motor due to the interlayer van der Waals effects and the end effects. The MD simulation results show that, when the gas density is lower than a critical range, a stable signal of the rotor will arise on the output and the rotation transmission ratio (RRT) of RTS can reach 1.0, but as the gas density is higher than the critical range, the output signal of the rotor cannot be stable due to the sharp drop of the RRT caused by the large friction between helium and the RTS. The greater the motor input signal of RTS, the lower the critical working helium density range. The results also show that the system temperature and gas density are the two main factors affecting the RTS transmission behavior regardless of the size of the simulation box. Our MD results clearly indicate that in the working temperature range of the RTS from 100 K to 600 K, the higher the temperature and the lower the motor input rotation frequency, the higher the critical working helium density range allows.

The Study on Young's Modulus of Multilayered Cu/Ni Multilayered Nano Thin Films by Molecular Dynamics Simulation

2014 ◽  
Vol 513-517 ◽  
pp. 113-116
Author(s):  
Jen Ching Huang ◽  
Fu Jen Cheng ◽  
Chun Song Yang
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Strain Rate ◽  
Young’S Modulus ◽  
Potential Function ◽  
Dynamics Simulation ◽  
System Temperature ◽  
Simulation Results

The Youngs modulus of multilayered nanothin films is an important property. This paper focused to investigate the Youngs Modulus of Multilayered Ni/Cu Multilayered nanoThin Films under different condition by Molecular Dynamics Simulation. The NVT ensemble and COMPASS potential function were employed in the simulation. The multilayered nanothin film contained the Ni and Cu thin films in sequence. From simulation results, it is found that the Youngs modulus of Cu/Ni multilayered nanothin film is different at different lattice orientations, temperatures and strain rate. After experiments, it can be found that the Youngs modulus of multilayered nanothin film in the plane (100) is highest. As thickness of the thin film and system temperature rises, Youngs modulus of multilayered nanothin film is reduced instead. And, the strain rate increases, the Youngs modulus of Cu/Ni multilayered nanothin film will also increase.

Thermal Conductivity Computation of Nanofluids by Equilibrium Molecular Dynamics Simulation: Nanoparticle Loading and Temperature Effect

2007 ◽  
Vol 1022 ◽  
Author(s):  
Suranjan Sarkar ◽  
R. Panneer Selvam
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Effective Thermal Conductivity ◽  
Copper Nanoparticles ◽  
Base Fluid ◽  
Liquid Argon ◽  
Dynamics Simulation ◽  
System Temperature ◽  
Solid Copper

AbstractA model nanofluid system of copper nanoparticles in argon base fluid was successfully modeled by molecular dynamics simulation. The interatomic interactions between solid copper nanoparticles, base liquid argon atoms and between solid copper and liquid argon were modeled by Lennard Jones potential with appropriate parameters. The effective thermal conductivity of the nanofluids was calculated through Green Kubo method in equilibrium molecular dynamics simulation for varying nanoparticle concentrations and for varying system temperatures. Thermal conductivity of the basefluid was also calculated for comparison. This study showed that effective thermal conductivity of nanofluids is much higher than that of the base fluid and found to increase with increased nanoparticle concentration and system temperature. Through molecular dynamics calculation of mean square displacements for basefluid, nanofluid and its components, we suggested that the increased movement of liquid atoms in the presence of nanoparticle was probable mechanism for higher thermal conductivity of nanofluids.

scholarly journals Factors Affecting Disruption of Navel Orangeworm (Lepidoptera: Pyralidae) Using Aerosol Dispensers

2020 ◽  
Vol 113 (3) ◽  
pp. 1290-1298 ◽  
Author(s):  
Charles S Burks ◽  
Donald R Thomson
Keyword(s):  
Sexual Activity ◽  
Mating Disruption ◽  
Sexual Communication ◽  
Profile Analysis ◽  
Crop Protection ◽  
Spatial Density ◽  
Pheromone Traps ◽  
Sharp Drop ◽  
Navel Orangeworm ◽  
Factors Affecting

Abstract Mating disruption is used to help manage the navel orangeworm on approximately 200,000 ha of tree nut crops. Aerosol dispensers are the most common formulation, and all formulations use an incomplete pheromone blend consisting solely of (Z11,Z13)-hexadecadienal. Profile analysis (examination of capture and males in pheromone traps as a function of spatial density of dispensers) demonstrated a sharp drop of males captured with a very low density of dispensers, and then an approximately linear relationship between 90 and approaching 100% suppression. This near-linear portion of the profile includes both dispenser densities in which crop protection has been demonstrated, and densities in which it is unlikely. Suppression of males in pheromone traps was lost the next night after dispensers were removed, suggesting that the active ingredient was not persistent in the orchard environment. During most of the summer preharvest period, turning the dispensers off 1 or 2 h before the end of the predawn period of sexual activity provides the same amount of suppression of sexual communication as emission throughout the period of sexual activity. This suggests that encountering the pheromone from the mating disruption dispensers had a persistent effect on males. During the autumn postharvest period, only emission prior to midnight suppressed communication on nights on which the temperature fell below 19°C by midnight. These findings and the analysis will help manufacturers refine their offerings for mating disruption for this important California pest, and buyers of mating disruption to assess cost-effectiveness of competing offerings.

scholarly journals Simulation on the Factors Affecting the Crystallization Process of FeNi Alloy by Molecular Dynamics

ACS Omega ◽  
2019 ◽  
Vol 4 (11) ◽  
pp. 14605-14612 ◽  
Author(s):  
Dung Nguyen-Trong ◽  
Kien Pham-Huu ◽  
Phuong Nguyen-Tri
Keyword(s):  
Molecular Dynamics ◽  
Crystallization Process ◽  
Factors Affecting ◽  
Feni Alloy

Molecular docking and molecular dynamics simulation studies on the adsorption/desorption behavior of bone morphogenetic protein-7 on the β-tricalcium phosphate surface

2020 ◽  
Vol 22 (29) ◽  
pp. 16747-16759
Author(s):  
Xiaoyu Zhao ◽  
Zhiyu Xue ◽  
Kefeng Wang ◽  
Xin Wang ◽  
Dingguo Xu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Molecular Dynamics Simulation ◽  
Dynamic Behavior ◽  
Tricalcium Phosphate ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Bone Morphogenetic Protein 7 ◽  
Morphogenetic Protein ◽  
Adsorption Desorption

Combining Rosetta Docking, MD, and SMD, we investigated the adsorption/desorption dynamic behavior of BMP-7 on β-TCP (001) Ca-rich and P-rich surfaces.

Interface Conditions for Coupled Atomistic and Continuum Models of Solids for Dynamics Problems at Finite Temperature

2006 ◽  
Vol 978 ◽  
Author(s):  
Xiantao Li ◽  
Weinan E
Keyword(s):  
Molecular Dynamics ◽  
Boundary Conditions ◽  
Finite Temperature ◽  
Langevin Equations ◽  
Continuum Models ◽  
Interface Conditions ◽  
System Temperature ◽  
Dynamics Simulations ◽  
Dynamics Problems ◽  
Generalized Langevin Equations

AbstractWe will present a general formalism for deriving boundary conditions for molecular dynamics simulations of crystalline solids in the context of atomistic/continuum coupling. These boundary conditions are modeled by generalized Langevin equations, derived from Mori-Zwanzig's formalism. Such boundary conditions are useful in suppressing phonon reflections, and maintaining the system temperature.

An analytical approach of filament bundle swinging dynamics, Part I: Modeling filament bundle by ANCF

2019 ◽  
Vol 89 (21-22) ◽  
pp. 4607-4619
Author(s):  
Yongxing Wang ◽  
Shujia Li ◽  
Xunxun Ma ◽  
Dayu Zhang ◽  
Pei Feng ◽  
...  
Keyword(s):  
Large Deformation ◽  
Dynamic Behavior ◽  
High Speed ◽  
Nonlinear Differential Equations ◽  
Viscoelastic Body ◽  
Factors Affecting ◽  
Air Resistance ◽  
Wide Range ◽  
Filament Bundles ◽  
Filament Bundle

A filament bundle is a kind of filament assembly with less twist or nontwist. It is a viscoelastic body and has a large aspect ratio. Its large deformation during motion over a wide range is a universal phenomenon in many textile processes. The dynamic viscoelasticity of the filament bundle, gravity, and air resistance are three important factors affecting the filament bundle's dynamic behavior. Taking account of these factors, a filament bundle dynamics analysis method is proposed in a series of three papers. This paper, the first in the series, presents an approach to model the dynamics of the flexible filament bundle with viscoelasticity and to analyze its dynamic behavior under the action of gravity and air resistance. The filament bundle element (FBE) is established based on absolute nodal coordinate formulation (ANCF), in which slope vectors and global coordinates are applied. The approach presented in this paper is well suited for the analysis of large deformation motions of filament bundles. As an example, a dynamic model was established to predict the filament bundle's trace during its swinging through large displacements under the action of gravity and air resistance, taking into account the filament bundle viscosity. The nonlinear differential equations of the filament bundle system were solved using MATLAB. Furthermore, the swing traces of the filament bundle in a closed Plexiglas box with different vacuum degrees were recorded using a high-speed camera to prove the validity of the established filament bundle model based on ANCF.

scholarly journals Solvent effects of 1-ethyl-3-methylimidazolium acetate: solvation and dynamic behavior of polar and apolar solutes

2015 ◽  
Vol 17 (13) ◽  
pp. 8480-8490 ◽  
Author(s):  
Volker Lesch ◽  
Andreas Heuer ◽  
Christian Holm ◽  
Jens Smiatek
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Dynamic Behavior ◽  
Solvent Effects ◽  
Room Temperature ◽  
Md Simulations ◽  
Charged Model

We study the solvation properties of the ionic liquid 1-ethyl-3-methylimidazolium acetate ([eMIM]+[ACE]−) and the resulting dynamic behavior for differently charged model solutes at room temperature via atomistic molecular dynamics (MD) simulations of 500 ns length.

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