A new method of molecular dynamic computer simulation at constant temperature and pressure

2002 ◽  
Vol 117 (19) ◽  
pp. 8607-8612 ◽  
Author(s):  
A. I. Landau
Keyword(s):  
Computer Simulation ◽  
Molecular Dynamic ◽  
Constant Temperature ◽  
New Method ◽  
Temperature And Pressure ◽  
Dynamic Computer Simulation ◽  
Molecular Dynamic Computer Simulation

Molecular Dynamic Computer Simulation of Thin Film's Heat Dissipation Rate

2006 ◽  
Vol 910 ◽  
Author(s):  
Ya-Yun Cheng ◽  
Horng-Ming Hsieh ◽  
Cheng-Chung Lee
Keyword(s):  
Thin Film ◽  
Thermal Diffusivity ◽  
Constant Temperature ◽  
Dissipation Rate ◽  
Md Simulation ◽  
Heat Dissipation ◽  
Film Growth ◽  
Average Temperature ◽  
Dynamic Computer Simulation ◽  
Molecular Dynamic Computer Simulation

AbstractHeat dissipation rate of the thin film is theoretically related to the thickness of the film. As the film grows on a substrate of constant temperature, the heat dissipation rate would be lower when the film becomes thicker. It is difficult to observe rate change during the film growth through experiment. With MD simulation, this rate can be "observed". A system including Platinum substrate at constant temperature 300K is setup. The constant temperature is obtained by Phantom method.The average temperature of aluminum thin film is 600K. For various thickness of the film: 3.656nm, 5.302nm, and 7.567nm. The average temperature decays exponentially. Through the simple equation T=(T0-Ts)exp(-kt/d2PCp)+Ts, the dissipation rate should follow the parameter R=k/d2PCp and the parameter α=k/£Cp is the thermal diffusivity. It is observed that the thermal diffusivity increases with film thickness increases.

Molecular-Dynamic Computer Simulation Study of Structural and Transport Properties of Some Amorphous Alloys

1991 ◽  
Vol 02 (01) ◽  
pp. 523-526 ◽  
Author(s):  
O.S. TRUSHIN ◽  
P. NAYAK ◽  
V.S. STEPANYUK ◽  
A.A. KATSNELSON ◽  
A. SZASZ
Keyword(s):  
Computer Simulation ◽  
Amorphous Alloys ◽  
Pair Correlation ◽  
Amorphous State ◽  
Rapid Quenching ◽  
Atomic Level ◽  
Dynamic Phase ◽  
Fast Cooling ◽  
Dynamic Computer Simulation ◽  
Molecular Dynamic Computer Simulation

Here we present the molecular-dynamics computer simulation for a few systems of Ni1−xPx (x=0.2,0.25), Fe1−xPx (x=0.24), and Fe1−xBx (x=0.15) to explore the dynamic phase transformation from liquid to amorphous state through rapid quenching and the structure of these alloys at atomic level. The truncated Morse potential has been used to model the interaction between the atoms. The results of computer simulation for the pair correlation function for these systems reveal some interesting features of the corresponding alloy going from the melt to amorphous state through fast cooling. Finally the analysis of Voronoy polyhedron statistic leads us to propose possible models for the structure at atomic level for these alloys in the amorphous state. For the Ni75P25 system it is also revealed that the metastable state depends on the method of preparation of the sample.

Computer simulation of a phase transition at constant temperature and pressure

1986 ◽  
Vol 34 (2) ◽  
pp. 1495-1498 ◽  
Author(s):  
Juan J. Morales ◽  
So/ren Toxvaerd ◽  
Luis F. Rull
Keyword(s):  
Phase Transition ◽  
Computer Simulation ◽  
Constant Temperature ◽  
Temperature And Pressure

Molecular Dynamic Computer Simulation Models for Teaching Thermodynamic Principles

2011 ◽  
Author(s):  
W. John Dartnall ◽  
John A. Reizes
Keyword(s):  
Molecular Dynamic ◽  
Hard Spheres ◽  
Simulation Models ◽  
Low Density ◽  
Newtonian Mechanics ◽  
Dynamic Computer Simulation ◽  
Class Room ◽  
Computer Simulation Models ◽  
Molecular Dynamic Computer Simulation ◽  
Conceptual Difficulties

Modern mechanical engineers need to learn more than the traditional classical approaches to thermodynamics and heat transfer. Matter is comprised of molecules and in many situations the behavior of these molecules may be modeled using hard spheres whose motion is governed by Newtonian mechanics. This is particularly true in those situations involving relatively low density gases, that are valuable in introducing the concepts of thermodynamics. This paper presents some models that have been developed using simple-to-use software that students can handle in a time-efficient way during class-room situations, using only Newtonian Mechanics. Experience indicates that students have many conceptual difficulties when studying engineering thermodynamics. Simple molecular dynamic approaches promise to give students a more intuitive understanding of these thermal areas.

Concept development for the optimisation of the Hamburg Wastewater Treatment Plants

2000 ◽  
Vol 41 (9) ◽  
pp. 89-95 ◽  
Author(s):  
G. Ladiges ◽  
N-P. Bertram ◽  
R. Otterpohl
Keyword(s):  
Computer Simulation ◽  
Wastewater Treatment ◽  
Simulation Study ◽  
Storage Capacity ◽  
Wastewater Treatment Plants ◽  
Concept Development ◽  
Final Solution ◽  
Effluent Standards ◽  
Dynamic Computer Simulation ◽  
Traditional Manner

The Hamburger Stadtentwässerung (HSE) is planning to take on a further approximately 250,000 PE in addition to the 1.85 m PE already served by its combined wastewater treatment plants at Köhlbrandhöft/Dradenau. To cope with the increased load, a concept for the extension of the plants had to be developed. Various concepts were compared and evaluated using a dynamic computer simulation. The very wide-ranging simulation study showed that the required effluent standards can still be achieved after the volume of the sludge liquor storage capacity has been increased. As many concepts had been assessed in detail, the final solution chosen was considerably less expensive than if the wastewater treatment plants had been extended in a traditional manner.

The Simulation of Vision Measurement System for Cannon Barrel Pose

2012 ◽  
Vol 588-589 ◽  
pp. 1337-1340
Author(s):  
Y.X. Zhu ◽  
X.S. Duan
Keyword(s):  
Computer Simulation ◽  
Measurement System ◽  
Simulation Experiment ◽  
New Method ◽  
Simulation Platform ◽  
Motion Model ◽  
Vision Measurement ◽  
Imaging Model

For the pose measurement of cannon barrel, a vision method through checked plane had been proposed. To test and improve the precision of this new method without considering the hardware error and some other inextricable objective factors，derive the imaging model of the marker (checked plane) from motion model of cannon barrel and the position relative to it using variable-controlling method. Establish the computer simulation platform of vision measurement system for cannon barrel pose based on C++ Builder. The simulation experiment validate the veracity and dependability of this method.

Efficient Dynamic Computer Simulation of Simple-Closed Spatial Linkages

1990 ◽  
Author(s):  
L. T. Wang
Keyword(s):  
Computer Simulation ◽  
Computational Algorithm ◽  
Equations Of Motion ◽  
Joint Space ◽  
Kinematic Chains ◽  
Spatial Linkages ◽  
Dynamic Computer Simulation ◽  
The Stability ◽  
Coordinate Partitioning ◽  
Generalized Coordinate

Abstract A new method of formulating the generalized equations of motion for simple-closed (single loop) spatial linkages is presented in this paper. This method is based on the generalized principle of D’Alembert and the use of the transformation Jacobian matrices. The number of the differential equations of motion is minimized by performing the method of generalized coordinate partitioning in the joint space. Based on this formulation, a computational algorithm for computer simulation the dynamic motions of the linkage is developed, this algorithm is not only numerically stable but also fully exploits the efficient recursive computational schemes developed earlier for open kinematic chains. Two numerical examples are presented to demonstrate the stability and efficiency of the algorithm.

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