Stability of Computational Algorithms Used in Molecular Dynamics Simulations

1995 ◽  
Vol 117 (3) ◽  
pp. 531-534 ◽  
Author(s):  
Akira Satoh

The present study focuses on a three-dimensional Lennard-Jones system in a thermodynamic equilibrium in order to discuss divergence processes, the relationship between time intervals and divergence times, and the influence of time intervals on thermodynamic quantities and transport coefficients under various number density and temperature. It is found that the velocities of molecules in a system gradually increase with time until the system suddenly diverges exponentially. The time interval-divergence time relationship can be expressed in approximate terms as linear functions if the data are plotted on logarithmic scales, and the system diverges more easily as temperature or number density increases. Thermodynamic quantities show the influence of large time intervals more clearly than do transport coefficients.

Author(s):  
Ghazali Syamni

This paper examines the relationship of behavior trading investor using data detailed transaction history-corporate edition demand and order history in Indonesia Stock Exchange during period of March, April and May 2005. Peculiarly, behavior placing of investor order at trading volume. The result of this paper indicates that trading volume order pattern to have pattern U shape. The pattern happened that investors have strong desires to places order at the opening and close of compared to in trading periods. While the largest orders are of market at the opening indicates that investor is more conservatively when opening, where many orders when opening has not happened transaction to match. In placing order both of investor does similar strategy. By definition, informed investors’ orders more large than uninformed investors. If comparison of order examined hence both investors behavior relatively changes over time. But, statistically shows there is not ratio significant. This implies behavior trading of informed investors and uninformed investors stable relative over time. The result from regression analysis indicates that informed investors to correlate at trading volume in all time intervals, but not all uninformed investors correlates in every time interval. This imply investor order inform is more can explain trading volume pattern compared to uninformed investor order in Indonesia Stock Exchange. Finally, result of regression also finds that order status match has greater role determines trading volume pattern intraday especially informed buy match and informed sale match. While amend, open and withdraw unable to have role to determine intraday trading volume pattern.


2020 ◽  
Vol 1 (1) ◽  
pp. 1-17
Author(s):  
Kyosuke Futami ◽  
Tsutomu Terada ◽  
Masahiko Tsukamoto

Although it is socially and ethically important not to be late for a specified arrival time, late arrivals sometimes happen to people using public transportation. Although many methods aim to smooth a user's movement by providing useful information, there are few approaches to prevent late arrivals due to psychological factors. In this research, to make a user's arrival time earlier and thus prevent late arrival, we propose a method that manipulates time allowance by presenting information based on a psychological and cognitive tendency. We apply this method to a vehicle timetable system for the purpose of preventing public transit users from arriving after a target vehicle's departure time. Our proposed timetable system manipulates the time intervals between a user's target vehicle and other vehicles by introducing fictional elements such as hidden vehicles and inserted fictional vehicles. This method uses the relationship between the time allowance and the departure time interval, and it can make a user desire and accept arriving at a station earlier. We implemented a prototype system and conducted four experiments. The evaluation results confirmed that our proposed method is effective for changing a user's time allowance and actual arrival time.


1999 ◽  
Vol 09 (07) ◽  
pp. 1089-1121 ◽  
Author(s):  
A. BABIN ◽  
A. MAHALOV ◽  
B. NICOLAENKO

The 3-D rotating Boussinesq equations (the "primitive" equations of geophysical fluid flows) are analyzed in the asymptotic limit of strong stable stratification. The resolution of resonances and a nonstandard small divisor problem are the basis for error estimates for such fast singular oscillating limits. Existence on infinite time intervals of regular solutions to the viscous 3-D "primitive" equations is proven for initial data in Hα, α≥ 3/4. Existence on a long-time interval T*of regular solutions to the 3-D inviscid equations is proven for initial data in Hα, α > 5/2 (T*→∞ as the frequency of gravity waves →∞).


1980 ◽  
Vol 102 (1) ◽  
pp. 115-120 ◽  
Author(s):  
H. T. Ceylan ◽  
G. E. Myers

An economical method for obtaining long-time solutions to one, two, or three-dimensional heat-conduction transients with time-dependent forcing functions is presented. The conduction problem is spatially discretized by finite differences or by finite elements to obtain a system of first-order ordinary differential equations. The time-dependent input functions are each approximated by continuous, piecewise-linear functions each having the same uniform time interval. A set of response coefficients is generated by which a long-time solution can be carried out with a considerably lower cost than for conventional methods. A one-dimensional illustrative example is included.


1994 ◽  
Vol 79 (3_suppl) ◽  
pp. 1559-1565 ◽  
Author(s):  
M. T. Carrillo-De-La-Peña ◽  
M. A. Luengo

Certain empirical evidence suggests that subjects prone to delinquent activity may have faster internal clocks than others. To investigate the relationship between antisocial behavior and time perception and its dependence on the experimental time interval and method and on whether the subject is institutionalized we obtained verbal and production estimates of 5-, 15-, 30-, and 60-sec. intervals from 249 adolescents (156 school attenders and 93 institutionalized subjects) classified into 3 groups according to the intensity of their antisocial activity. Results provide no support for the hypothesis that overestimation of short time intervals is associated with either juvenile delinquency or institutionalization.


2013 ◽  
Vol 717 ◽  
pp. 90-133 ◽  
Author(s):  
C. Arratia ◽  
C. P. Caulfield ◽  
J.-M. Chomaz

AbstractWe investigate numerically the transient linear growth of three-dimensional (3D) perturbations in a homogeneous time-evolving mixing layer in order to identify which perturbations are optimal in terms of their kinetic energy gain over a finite, predetermined time interval. We model the mixing layer with an initial parallel velocity distribution $\mathbi{U}(y)= {U}_{0} \tanh (y/ d)\mathbi{e}_{x}$ with Reynolds number $Re= {U}_{0} d/ \nu = 1000$, where $\nu $ is the kinematic viscosity of the fluid. We consider a range of time intervals on both a constant ‘frozen’ base flow and a time-dependent two-dimensional (2D) flow associated with the growth and nonlinear saturation of two wavelengths of the most-unstable eigenmode of linear theory of the initial parallel velocity distribution, which rolls up into two classical Rayleigh instabilities commonly referred to as Kelvin–Helmholtz (KH) billows, which eventually pair to form a larger vortex. For short times, the most-amplified perturbations on the frozen $\tanh $ profile are inherently 3D, and are most appropriately described as oblique wave ‘OL’ perturbations which grow through a combination of the Orr and lift-up mechanisms, while for longer times, the optimal perturbations are 2D and similar to the KH normal mode, with a slight enhancement of gain. For the time-evolving KH base flow, OL perturbations continue to dominate over sufficiently short time intervals. However, for longer time intervals which involve substantial evolution of the primary KH billows, two broad classes of inherently 3D linear optimal perturbation arise, associated at low wavenumbers with the well-known core-centred elliptical translative instability, and at higher wavenumbers with the braid-centred hyperbolic instability. The hyperbolic perturbation is relatively inefficient in exploiting the gain of the OL perturbations, and so only dominates the smaller wavenumber (ultimately) core-centred perturbations when the time evolution of the base flow or the start time of the optimization interval does not allow the OL perturbations much opportunity to grow. When the OL perturbations can grow, they initially grow in the braid, and then trigger an elliptical core-centred perturbation by a strong coupling with the primary KH billow. If the optimization time interval includes pairing of the primary billows, the secondary elliptical perturbations are strongly suppressed during the pairing event, due to the significant disruption of the primary billow cores during pairing.


2021 ◽  
Author(s):  
Imogen Gingell ◽  
Harald Kucharek ◽  
Steven J. Schwartz ◽  
Charles Farrugia ◽  
Karlheinz J. Trattner ◽  
...  

<p>Actively reconnecting, thin current sheets have been observed both within the transition region of Earth’s bow shock and far downstream into the magnetosheath. Irrespective of whether these structures arise due to shock processes or turbulent dissipation, they are expected to contribute to particle heating and acceleration within their respective regions. In order to assess the integrated impact of the population of thin current sheets on observations of heating and acceleration, we examine shock crossings and extended magnetosheath intervals recorded by the Magnetospheric Multiscale mission (MMS). For each interval we quantify the number density of reconnecting current sheets in the magnetosheath. We estimate the volume associated with each time interval by considering the three-dimensional cone over which Alfvén and magnetoacoustic waves can propagate within the time interval. We then estimate the number of reconnecting sheets within that volume by comparing heating measures observed within individual sheet crossings with the observed change in those properties across the full interval. Given several extended magnetosheath intervals observed by MMS, we perform our analysis for different locations in the magnetosheath and for different solar wind conditions. In this way we determine the dependence of the number density of thin current sheets on shock orientation (i.e. quasi-parallel or quasi-perpendicular), solar wind transients, and incident plasma parameters.</p>


HortScience ◽  
2017 ◽  
Vol 52 (3) ◽  
pp. 366-370 ◽  
Author(s):  
Yuto Kitamura ◽  
Hisayo Yamane ◽  
Akira Yukimori ◽  
Hiroyoshi Shimo ◽  
Koji Numaguchi ◽  
...  

Flower bud development and the timing of blooming are mainly affected by genotype-dependent chilling requirements (CRs) during endodormancy and subsequent heat requirements (HRs) during ecodormancy. However, little information is available regarding the responses of flower buds to temperatures during endodormancy and ecodormancy in japanese apricot. We exposed japanese apricot ‘Nanko’ trees to various temperatures to estimate the CRs and HRs using development index (DVI) models specific for the endodormant (DVIendo) and ecodormant (DVIeco) stages. These models were based on the experimentally determined development rate (DVR). The DVRendo value was calculated as the reciprocal of the chilling time required to break endodormancy. The relationship between the DVRendo value and temperature was estimated using a three-dimensional curve. Our results indicated that 5–6 °C was the most effective temperature for breaking endodormancy in ‘Nanko’ flower buds. Additionally, exposure to −3 °C negatively affected endodormancy release, whereas 15 °C had no effect. We also determined that the DVReco values for temperatures between 5 and 20 °C were the reciprocal values of the time required for blooming after endodormancy release. The values outside this range were estimated using linear functions. The DVI was defined as the sum of the DVR values ranging from 0 to 1. Models for predicting the blooming date were constructed using the functions of sequentially combined DVIendo and DVIeco models. The accuracy of each model was assessed by comparing the predicted and actual blooming dates. The prediction of the model in which DVIeco = 1 corresponded to a 40% blooming level and DVIeco = 0 was set to DVIendo = 0.5 had the lowest root mean square error (RMSE) value (i.e., 3.11) for trees in commercial orchards exposed to different climates. Our results suggest that the developed model may have practical applications.


2000 ◽  
Vol 46 (154) ◽  
pp. 399-411 ◽  
Author(s):  
D. J. Wingham

AbstractIt is of practical importance to have a description on time-scales of 1–100 years of the relationship between the mass imbalance of an ice sheet and its rate of change of thickness. In this paper, a linearized treatment of the relationship is described. Closed-form expressions are derived that relate the time-variant density in an isothermal firn layer to the fluctuations in accumulation rate and density that occur at the surface. These expressions are used to provide a spectral description of the contribution of surface accumulation and surface density fluctuations to the rate of change of thickness of an ice sheet. Using these, the contribution of firn densification to the variability of ice-sheet thickness is examined as a function of the time interval over which the ice sheet is observed. This contribution is illustrated for sites in Antarctica and Greenland. It is concluded that it is important to give greater attention than hitherto to the spatial scale of accumulation fluctuations if satellite observations of ice-sheet elevation change are to be used to estimate ice-sheet imbalance over short time intervals.


2020 ◽  
Vol 2020 ◽  
pp. 1-11
Author(s):  
Jianliang Gao ◽  
Jingzhang Ren ◽  
Xuebo Zhang ◽  
Jiajia Liu ◽  
Chunxia Wang

The shock wave generated by a severe gas explosion accident can damage the main fan, and the toxic and harmful gases in the well cannot be discharged in time, leading to the expansion of disaster accidents. Therefore, it is meaningful to study impact loads of main fan blades in gas explosion. In this paper, a full-scale three-dimensional numerical simulation model has been established based on No. 2 Yangchangwan Coal Mine in China. The propagation of shock wave in shaft and air tunnel and the dynamic process of main fan blade subjected to shock load when gas explosion of different volume occurs in heading face have been simulated. The overpressure on the blade at different times, the overpressure distribution on the blade, and the relationship between the overpressure and the explosion intensity have been obtained. The results showed that the time when the explosion shock wave reached, each blade of the wind turbine was basically the same, and the time when each blade reached, the maximum overpressure was basically the same. With the increase of gas explosion volume, occurrence time of overpressure and maximum overpressure time on the fan blade were shortened, and the time interval between them was also shortened. There is a little difference in the overpressure of each blade. Fan blade directly above the hub was subject to the highest overpressure, and fan blade directly below the hub was subject to the lowest overpressure. The overpressure of the maximum overpressure blade was 5.44% to 6.77% higher than that of the minimum overpressure blade. The distribution of overpressure on each fan blade was uneven, and the overpressures on blade edges were the lowest. The overpressure on the fan blades showed a corrugated distribution along the radial direction. There was 12.06% to 15.40% difference between the maximum and minimum overpressure section on the fan blade.


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