A Mock Gas Molecules Model for Accurately Simulating Pressure Load at Micro- and Nanoscales

2019 ◽  
Vol 86 (9) ◽  
Author(s):  
Yong Ma ◽  
Guorui Wang ◽  
Yuli Chen ◽  
Luqi Liu ◽  
Zhong Zhang
Keyword(s):  
Atomic Weight ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Blister Test ◽  
Pressure Load ◽  
Proposed Model ◽  
Gas Molecules ◽  
Simulation Results ◽  
And Control ◽  
Independent Parameters

At micro- and nanoscales, the gas pressure load is generally simulated by the thermal motion of gas molecules. However, the pressure load can hardly be produced or controlled accurately, because the effects of the wall thickness and the atomic weight of the gas molecules are not taken into account. In this paper, we propose a universal gas molecules model for simulating the pressure load accurately at micro- and nanoscales, named mock gas molecules model. Six scale-independent parameters are established in this model, thus the model is applicable at both micro- and nanoscales. To present the validity and accuracy of the model, the proposed model is applied into the coarse-grained molecular dynamics simulation of graphene blister, and the simulation results agree well with experimental observations from the graphene blister test, indicating that the model can produce and control the pressure load accurately. Furthermore, the model can be easily implemented into many simulators for problems about the solid–gas interaction, especially for membrane gas systems.

scholarly journals Salt- and gas-filled ices under planetary conditions

2019 ◽  
Vol 377 (2146) ◽  
pp. 20180262 ◽  
Author(s):  
Livia E. Bove ◽  
Umbertoluca Ranieri
Keyword(s):  
Molecular Dynamics ◽  
High Pressure ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Theme Issue ◽  
Planetary Interiors ◽  
Guest Species ◽  
Gas Molecules ◽  
Simulation Results ◽  
Experimental Findings

In recent years, evidence has emerged that solid water can contain substantial amounts of guest species, such as small gas molecules—in gas hydrate structures—or ions—in salty ice structures—and that these ‘filled’ ice structures can be stable under pressures of tens of Gigapascals and temperatures of hundreds of Kelvins. The inclusion of guest species can strongly modify the density, vibrational, diffusive and conductivity properties of ice under high pressure, and promote novel exotic properties. In this review, we discuss our experimental findings and molecular dynamics simulation results on the structures formed by salt- and gas-filled ices, their unusual properties, and the unexpected dynamical phenomena observed under pressure and temperature conditions relevant for planetary interiors modelling. This article is part of the theme issue ‘The physics and chemistry of ice: scaffolding across scales, from the viability of life to the formation of planets’.

Coarse-Grained Molecular Dynamics Simulation of Fracture Problems in Polycarbonate

2016 ◽  
Vol 258 ◽  
pp. 73-76 ◽  
Author(s):  
Atsushi Kubo ◽  
Yoshitaka Umeno
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Strain Rate ◽  
Deformation Behavior ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Deformation And Fracture ◽  
Simulation Results ◽  
Coarse Grained Molecular Dynamics

A coarse-grained particle (CG) model was developed based on all-atom molecular dynamics simulation results, aiming at applying to deformation and fracture analyses of polycarbonate. After confirming the validity of the model, the developed CG model was applied to deformation analyses to investigate the effects of strain rate and multiaxial tension. The effect of strain rate was found to be consistent with an experiment. Two types of deformation behavior were observed according to the type of multiaxial tension.

Investigation of the Microscopic Viscoelastic Property for Cross-linked Polymer Network by Molecular Dynamics Simulation

2011 ◽  
Vol 39 (1) ◽  
pp. 44-58 ◽  
Author(s):  
Y. Masumoto ◽  
Y. Iida
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Analytical Method ◽  
Viscoelastic Properties ◽  
Polymer Network ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
The Cross ◽  
Microscopic Dynamic ◽  
Coarse Grained Molecular Dynamics

Abstract The purpose of this work is to develop a new analytical method for simulating the microscopic mechanical property of the cross-linked polymer system using the coarse-grained molecular dynamics simulation. This new analytical method will be utilized for the molecular designing of the tire rubber compound to improve the tire performances such as rolling resistance and wet traction. First, we evaluate the microscopic dynamic viscoelastic properties of the cross-linked polymer using coarse-grained molecular dynamics simulation. This simulation has been conducted by the coarse-grained molecular dynamics program in the OCTA) (http://octa.jp/). To simplify the problem, we employ the bead-spring model, in which a sequence of beads connected by springs denotes a polymer chain. The linear polymer chains that are cross-linked by the cross-linking agents express the three-dimensional cross-linked polymer network. In order to obtain the microscopic dynamic viscoelastic properties, oscillatory deformation is applied to the simulation cell. By applying the time-temperature reduction law to this simulation result, we can evaluate the dynamic viscoelastic properties in the wide deformational frequency range including the rubbery state. Then, the stress is separated into the nonbonding stress and the bonding stress. We confirm that the contribution of the nonbonding stress is larger at lower temperatures. On the other hand, the contribution of the bonding stress is larger at higher temperatures. Finally, analyzing a change of microscopic structure in dynamic oscillatory deformation, we determine that the temperature/frequency dependence of bond stress response to a dynamic oscillatory deformation depends on the temperature dependence of the average bond length in the equilibrium structure and the temperature/frequency dependence of bond orientation. We show that our simulation is a useful tool for studying the microscopic properties of a cross-linked polymer.

On modeling and dynamics of a multiple launch rocket system

2021 ◽  
pp. 095441002098224
Author(s):  
Bo Li ◽  
Xiaoting Rui ◽  
Guoping Wang ◽  
Jianshu Zhang ◽  
Qinbo Zhou
Keyword(s):  
Monte Carlo ◽  
Multibody Systems ◽  
Euler Method ◽  
Dynamics Analysis ◽  
Analysis Problem ◽  
Dynamic Design ◽  
Proposed Model ◽  
And Control ◽  
Rocket System ◽  
Complete Process

Dynamics analysis is currently a key technique to fully understand the dynamic characteristics of sophisticated mechanical systems because it is a prerequisite for dynamic design and control studies. In this study, a dynamics analysis problem for a multiple launch rocket system (MLRS) is developed. We particularly focus on the deductions of equations governing the motion of the MLRS without rockets by using a transfer matrix method for multibody systems and the motion of rockets via the Newton–Euler method. By combining the two equations, the differential equations of the MLRS are obtained. The complete process of the rockets’ ignition, movement in the barrels, airborne flight, and landing is numerically simulated via the Monte Carlo stochastic method. An experiment is implemented to validate the proposed model and the corresponding numerical results.

scholarly journals Lane Departure Warning Estimation Using Yaw Acceleration

2020 ◽  
Vol 11 (1) ◽  
pp. 102-111
Author(s):  
Em Poh Ping ◽  
J. Hossen ◽  
Wong Eng Kiong
Keyword(s):  
Vehicle Dynamics ◽  
Dynamic Responses ◽  
Dynamics Simulation ◽  
Steering Wheel ◽  
Mathematical Representation ◽  
Vehicle Speed ◽  
Lane Departure Warning ◽  
Model Based ◽  
Lane Departure ◽  
Proposed Model

AbstractLane departure collisions have contributed to the traffic accidents that cause millions of injuries and tens of thousands of casualties per year worldwide. Due to vision-based lane departure warning limitation from environmental conditions that affecting system performance, a model-based vehicle dynamics framework is proposed for estimating the lane departure event by using vehicle dynamics responses. The model-based vehicle dynamics framework mainly consists of a mathematical representation of 9-degree of freedom system, which permitted to pitch, roll, and yaw as well as to move in lateral and longitudinal directions with each tire allowed to rotate on its axle axis. The proposed model-based vehicle dynamics framework is created with a ride model, Calspan tire model, handling model, slip angle, and longitudinal slip subsystems. The vehicle speed and steering wheel angle datasets are used as the input in vehicle dynamics simulation for predicting lane departure event. Among the simulated vehicle dynamic responses, the yaw acceleration response is observed to provide earlier insight in predicting the future lane departure event compared to other vehicle dynamics responses. The proposed model-based vehicle dynamics framework had shown the effectiveness in estimating lane departure using steering wheel angle and vehicle speed inputs.

Model development and control of an auto-refrigerated polystyrene polymerization reactor

2021 ◽  
pp. 014233122110251
Author(s):  
Reyhane Mokhtarname ◽  
Ali Akbar Safavi ◽  
Leonhard Urbas ◽  
Fabienne Salimi ◽  
Mohammad M Zerafat ◽  
...  
Keyword(s):  
Temperature Control ◽  
Model Development ◽  
Heat Removal ◽  
Superior Performance ◽  
Polymerization Process ◽  
Vacuum System ◽  
Control Scheme ◽  
Simulation Results ◽  
And Control ◽  
Operating Plant

Dynamic model development and control of an existing operating industrial continuous bulk free radical styrene polymerization process are carried out to evaluate the performance of auto-refrigerated CSTRs (continuous stirred tank reactors). One of the most difficult tasks in polymerization processes is to control the high viscosity reactor contents and heat removal. In this study, temperature control of an auto-refrigerated CSTR is carried out using an alternative control scheme which makes use of a vacuum system connected to the condenser and has not been addressed in the literature (i.e. to the best of our knowledge). The developed model is then verified using some experimental data of the real operating plant. To show the heat removal potential of this control scheme, a common control strategy used in some previous studies is also simulated. Simulation results show a faster dynamics and superior performance of the first control scheme which is already implemented in our operating plant. Besides, a nonlinear model predictive control (NMPC) is developed for the polymerization process under study to provide a better temperature control while satisfying the input/output and the heat exchanger capacity constraints on the heat removal. Then, a comparison has been also made with the conventional proportional-integral (PI) controller utilizing some common tuning rules. Some robustness and stability analyses of the control schemes investigated are also provided through some simulations. Simulation results clearly show the superiority of the NMPC strategy from all aspects.

scholarly journals A Fusion Algorithm for Estimating Time-Independent/-Dependent Parameters and States

Sensors ◽  
2021 ◽  
Vol 21 (12) ◽  
pp. 4068
Author(s):  
Zheshuo Zhang ◽  
Jie Zhang ◽  
Jiawen Dai ◽  
Bangji Zhang ◽  
Hengmin Qi
Keyword(s):  
Unscented Kalman Filter ◽  
Time Estimation ◽  
Estimation Algorithm ◽  
Estimation Methods ◽  
Fusion Algorithm ◽  
State Variable ◽  
Current Estimation ◽  
Real Time Estimation ◽  
And Control ◽  
Independent Parameters

Vehicle parameters are essential for dynamic analysis and control systems. One problem of the current estimation algorithm for vehicles’ parameters is that: real-time estimation methods only identify parts of vehicle parameters, whereas other parameters such as suspension damping coefficients and suspension and tire stiffnesses are assumed to be known in advance by means of an inertial parameter measurement device (IPMD). In this study, a fusion algorithm is proposed for identifying comprehensive vehicle parameters without the help of an IPMD, and vehicle parameters are divided into time-independent parameters (TIPs) and time-dependent parameters (TDPs) based on whether they change over time. TIPs are identified by a hybrid-mass state-variable (HMSV). A dual unscented Kalman filter (DUKF) is applied to update both TDPs and online states. The experiment is conducted on a real two-axle vehicle and the test data are used to estimate both TIPs and TDPs to validate the accuracy of the proposed algorithm. Numerical simulations are performed to further investigate the algorithm’s performance in terms of sprung mass variation, model error because of linearization and various road conditions. The results from both the experiment and simulation show that the proposed algorithm can estimate TIPs as well as update TDPs and online states with high accuracy and quick convergence, and no requirement of road information.

Sliding Dynamics of Ring on Polymer in Rotaxane: A Coarse-Grained Molecular Dynamics Simulation Study

2019 ◽  
Vol 52 (10) ◽  
pp. 3787-3793 ◽  
Author(s):  
Yusuke Yasuda ◽  
Masatoshi Toda ◽  
Koichi Mayumi ◽  
Hideaki Yokoyama ◽  
Hiroshi Morita ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Sliding Dynamics ◽  
Coarse Grained Molecular Dynamics

MYMOSA: Towards the Simulation of Realistic Motorcycle Manoeuvres by Coupling Multibody and Control Techniques

2008 ◽  
Author(s):  
David Moreno Giner ◽  
Claudio Brenna ◽  
Ioannis Symeonidis ◽  
Gueven Kavadarlic
Keyword(s):  
Rear Wheel ◽  
Open Loop ◽  
Dynamics Simulation ◽  
Engine Torque ◽  
Multibody Model ◽  
Physiological Limits ◽  
Research Activities ◽  
Analysis Technique ◽  
First Results ◽  
And Control

Multibody dynamics simulation technology can provide a great help to understand and analyze motorcycle dynamics. In fact, its application in this field has grown very fast in the last years. However, apart from the mathematical model of the vehicle, a virtual rider is essential in order to properly simulate a motorcycle. This is due to the unstable nature of two-wheeled vehicles, which makes them very difficult to simulate by using open-loop maneuvers. The problem of developing a virtual rider for motorcycles has already been covered in literature but most of the proposed control algorithms achieved their purpose without considering the physiological limits of the rider. The objective of the research activities presented here are the preliminary development of a realistic virtual rider based on an experimental campaign and its subsequent simulation together with a detailed multibody model of a motorcycle. Special emphasis was put on making the rider model as simple as possible to facilitate the posterior design of the controller. Real rider movements were measured under laboratory conditions by means of the Motion Analysis technique. Several volunteers with different riding experiences, gender and anthropometry were involved in the experiments in order to provide a valid dataset for the analysis. For the present research, the virtual rider controls the direction of the motorcycle by means of both a torque on the handlebars and the movement of his body. The upper part of the rider’s body was modeled as an inverted pendulum. With regard to the longitudinal dynamics, the motorcycle is controlled by means of the brake torques and by the engine torque, which is transmitted to the rear wheel by means of a simplified model of the chain. First results of the developed virtual rider are presented at the end of this paper.

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