SUB-keV ATOM INDUCED SPUTTERING OF CONDENSED N2: A MOLECULAR DYNAMICS STUDY

1993 ◽  
Vol 07 (13n14) ◽  
pp. 857-863 ◽  
Author(s):  
HEINO KAFEMANN ◽  
HERBERT M. URBASSEK
Keyword(s):  
Molecular Dynamics ◽  
Energy Distribution ◽  
Time Dependence ◽  
Degrees Of Freedom ◽  
Center Of Mass ◽  
Translational Motion ◽  
Original Position ◽  
Time And Space

By molecular dynamics, the sputtering of a condensed N 2 sample due to 100 eV N atom bombardment is studied. The features observed in general parallel those of previous studies of Ar sputtering. Time- and space-resolved measurements give novel information on the original position of sputtered molecules and the time dependence of their energy distribution. Rotational and vibrational degrees of freedom are underpopulated with respect to center-of-mass translational motion.

The motion of rotating cylinders sliding on pebbled ice

2000 ◽  
Vol 77 (11) ◽  
pp. 847-862 ◽  
Author(s):  
MRA Shegelski ◽  
M Reid ◽  
R Niebergall
Keyword(s):  
Thin Film ◽  
Liquid Film ◽  
Contact Area ◽  
Relative Velocity ◽  
Thin Liquid Film ◽  
Center Of Mass ◽  
Translational Motion ◽  
Rotating Cylinder ◽  
Outer Edge ◽  
Slow Rotation

We consider the motion of a cylinder with the same mass and sizeas a curling rock, but with a very different contact geometry.Whereas the contact area of a curling rock is a thin annulus havinga radius of 6.25 cm and width of about 4 mm, the contact area of the cylinderinvestigated takes the form of several linear segments regularly spacedaround the outer edge of the cylinder, directed radially outward from the center,with length 2 cm and width 4 mm. We consider the motion of this cylinderas it rotates and slides over ice having the nature of the ice surfaceused in the sport of curling. We have previously presented a physicalmodel that accounts for the motion of curling rocks; we extend this modelto explain the motion of the cylinder under investigation. In particular,we focus on slow rotation, i.e., the rotational speed of the contact areasof the cylinder about the center of mass is small compared to thetranslational speed of the center of mass.The principal features of the model are (i) that the kineticfriction induces melting of the ice, with the consequence that thereexists a thin film of liquid water lying between the contact areasof the cylinder and the ice; (ii) that the radial segmentsdrag some of the thin liquid film around the cylinder as it rotates,with the consequence that the relative velocity between the cylinderand the thin liquid film is significantly different than the relativevelocity between the cylinder and the underlying solid ice surface.Since it is the former relative velocity that dictates the nature of themotion of the cylinder, our model predicts, and observations confirm, thatsuch a slowly rotating cylinder stops rotating well before translationalmotion ceases. This is in sharp contrast to the usual case of most slowlyrotating cylinders, where both rotational and translational motion ceaseat the same instant. We have verified this prediction of our model bycareful comparison to the actual motion of a cylinder having a contactarea as described.PACS Nos.: 46.00, 01.80+b

scholarly journals Estimation of Wave Period from Pitch and Roll of a Lidar Buoy

Sensors ◽  
2021 ◽  
Vol 21 (4) ◽  
pp. 1310
Author(s):  
Andreu Salcedo-Bosch ◽  
Francesc Rocadenbosch ◽  
Miguel A. Gutiérrez-Antuñano ◽  
Jordi Tiana-Alsina
Keyword(s):  
Degrees Of Freedom ◽  
Translational Motion ◽  
Cutoff Frequency ◽  
Peak Level ◽  
Wave Period ◽  
Estimation Methods ◽  
Zero Crossing ◽  
Power Spectral ◽  
Period Estimation ◽  
Wind Lidar

This work proposes a new wave-period estimation (L-dB) method based on the power-spectral-density (PSD) estimation of pitch and roll motional time series of a Doppler wind lidar buoy under the assumption of small angles (±22 deg) and slow yaw drifts (1 min), and the neglection of translational motion. We revisit the buoy’s simplified two-degrees-of-freedom (2-DoF) motional model and formulate the PSD associated with the eigenaxis tilt of the lidar buoy, which was modelled as a complex-number random process. From this, we present the L-dB method, which estimates the wave period as the average wavelength associated to the cutoff frequency span at which the spectral components drop off L decibels from the peak level. In the framework of the IJmuiden campaign (North Sea, 29 March–17 June 2015), the L-dB method is compared in reference to most common oceanographic wave-period estimation methods by using a TriaxysTM buoy. Parametric analysis showed good agreement (correlation coefficient, ρ = 0.86, root-mean-square error (RMSE) = 0.46 s, and mean difference, MD = 0.02 s) between the proposed L-dB method and the oceanographic zero-crossing method when the threshold L was set at 8 dB.

All-atomistic molecular dynamics study of the glass transition of amorphous polymers

2021 ◽  
Author(s):  
Zhiye Tang ◽  
Susumu Okazaki
Keyword(s):  
Molecular Dynamics ◽  
Glass Transition ◽  
Spatial Scale ◽  
Degrees Of Freedom ◽  
Main Chain ◽  
Polymer Materials ◽  
Coarse Grained ◽  
Mode Analysis ◽  
Radius Of Gyration ◽  
Chemical Structures

Glass transition is an important phenomenon of polymer materials and it has been intensively studied over the past a few decades. However, the influencing factors arising from the chemical structures of the polymers are often ignored due to a continuous or coarse-grained description of the polymer. Here, we approached this phenomenon using all-atomistic molecular dynamics (MD) simulations and two conventionally used polymer materials, polycarbonate (PC) and poly-(methyl methacrylate) (PMMA). We reproduced the glass transition temperatures (Tg) of the two materials reasonably well. Then we characterized and investigated the glass transition process by looking at the changes of potential energy, dihedral transition, and thermal fluctuation of the individual degrees of freedom in the systems, over the entire temperature range of glass transition. As previously reported, the dihedral angles stop their conformational changes gradually at the Tg, especially for the main chain dihedrals, and sidechain rotations immediately rooting from the main chain. The volumetric change during the temperature decrease is confirmed to be because of conformational adjustment, probably due to the tendency of chain stretching for the maintenance of the radius of gyration, and the loss of thermal energy. The strength of motions of single degrees of freedom and polymer chains, and overall slow motions obtained by normal mode analysis (NMA) shows that different motions at different spatial scale may gradually stop at distinct temperature in the MD simulation temporal and spatial scales. Presumably, the small spatial scale do not contribute to the glass transition at the experimental scale since the timescale is much longer than their relaxation time.

Momentum Removal to Obtain the Position-Dependent Diffusion Constant in Constrained Molecular Dynamics Simulation

2021 ◽  
Author(s):  
Kazushi Fujimoto ◽  
Tetsuro Nagai ◽  
Tsuyoshi Yamaguchi
Keyword(s):  
Molecular Dynamics ◽  
Diffusion Coefficient ◽  
Mass Velocity ◽  
Center Of Mass ◽  
Heterogeneous Systems ◽  
Diffusion Constant ◽  
Dynamics Simulation ◽  
Coulombic Interaction ◽  
Ewald Method ◽  
Theoretical Predictions

<div>The position-dependent diffusion coefficient along with free energy profile are important parameters needed to study mass transport in heterogeneous systems such as biological and polymer membranes, and molecular dynamics (MD) calculation is a popular tool to obtain them. Among many methodologies, the Marrink-Berendsen (MB) method is often employed to calculate the position-dependent diffusion coefficient, in which the autocorrelation function of the force on a fixed molecule is related to the friction on the molecule. However, the diffusion coefficient is shown to be affected by the period of the removal of the center-of-mass velocity, which is necessary when performing MD calculations using the Ewald method for Coulombic interaction. We have clarified theoretically in this study how this operation affects the diffusion coefficient calculated by the MB method, and the theoretical predictions are proven by MD calculations. Therefore, we succeeded in providing guidance on how to select an appropriate the period of the removal of the center-of-mass velocity in estimating the position-dependent diffusion coefficient by the MB method. This guideline is applicable also to the Woolf-Roux method.</div>

scholarly journals Turning Gait Planning Method for Humanoid Robots

2018 ◽  
Vol 8 (8) ◽  
pp. 1257 ◽  
Author(s):  
Tianqi Yang ◽  
Weimin Zhang ◽  
Xuechao Chen ◽  
Zhangguo Yu ◽  
Libo Meng ◽  
...  
Keyword(s):  
Inverted Pendulum ◽  
Center Of Mass ◽  
Translational Motion ◽  
Humanoid Robots ◽  
Inverted Pendulum Model ◽  
Straight Line ◽  
Pendulum Model ◽  
The Stability ◽  
And Control ◽  
Present Simulation

The most important feature of this paper is to transform the complex motion of robot turning into a simple translational motion, thus simplifying the dynamic model. Compared with the method that generates a center of mass (COM) trajectory directly by the inverted pendulum model, this method is more precise. The non-inertial reference is introduced in the turning walk. This method can translate the turning walk into a straight-line walk when the inertial forces act on the robot. The dynamics of the robot model, called linear inverted pendulum (LIP), are changed and improved dynamics are derived to make them apply to the turning walk model. Then, we expend the new LIP model and control the zero moment point (ZMP) to guarantee the stability of the unstable parts of this model in order to generate a stable COM trajectory. We present simulation results for the improved LIP dynamics and verify the stability of the robot turning.

scholarly journals The Use of Integrals in Numerical Integrations of theN-Body Problem

1971 ◽  
Vol 10 ◽  
pp. 40-51
Author(s):  
Paul E. Nacozy
Keyword(s):  
Angular Momentum ◽  
Numerical Integration ◽  
Degrees Of Freedom ◽  
Body Problem ◽  
Center Of Mass ◽  
Integration Step ◽  
Gravitational System ◽  
Systems Of Differential Equations ◽  
Numerical Integrations ◽  
Original Number

AbstractThe numerical integration of systems of differential equations that possess integrals is often approached by using the integrals to reduce the number of degrees of freedom or by using the integrals as a partial check on the resulting solution, retaining the original number of degrees of freedom.Another use of the integrals is presented here. If the integrals have not been used to reduce the system, the solution of a numerical integration may be constrained to remain on the integral surfaces by a method that applies corrections to the solution at each integration step. The corrections are determined by using linearized forms of the integrals in a least-squares procedure.The results of an application of the method to numerical integrations of a gravitational system of 25-bodies are given. It is shown that by using the method to satisfy exactly the integrals of energy, angular momentum, and center of mass, a solution is obtained that is more accurate while using less time of calculation than if the integrals are not satisfied exactly. The relative accuracy is ascertained by forward and backward integrations of both the corrected and uncorrected solutions and by comparison with more accurate integrations using reduced step-sizes.

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