Keywords: Lennard-Jones Potential (16)

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Confined Lennard-Jones Two Piston System Model
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Confined Lennard-Jones Two Piston System Model

The Confined Lennard-Jones Two Piston System simulates a constant-energy two-dimensional system of ... (more)

The Confined Lennard-Jones Two Piston System simulates a constant-energy two-dimensional system of particles confined by two frictionless pistons of equal mass M. This computer model complements theoretical work describing the adiabatic expansion of an ideal gas using the quasi-static approximation. Users can set the initial particle kinetic energy, Lennard Jones parameters, and the initial particle separation. Slow-moving particles are color-coded as blue and fast particles are color-coded as yellow. The time evolution of temperature, pressure, and piston speed are shown in a second window. Particles in this model have unit mass and interact through pairwise Lennard-Jones forces and hard-wall contact forces. The instantaneous temperature is computed using the average particle kinetic energy and the pressure is computed using the virial expansion. The Confined Lennard-Jones Two Piston System is a supplemental simulation for the article "<a href="http://dx.doi.org/10.1119/1.3428856">Evolution of ideal gas mixtures confined in an insulated container by two identical pistons</a>" by Joaquim Anacleto, Joaquim Alberto C. Anacleto, and J. M. Ferreira in the American Journal of Physics 79(10), 1009-1014 (2011) and has been approved by the authors and the American Journal of Physics (AJP) editor. The Confined Lennard-Jones Two Piston System was created using the Easy Java Simulations (Ejs) modeling tool. It is distributed as a ready-to-run (compiled) Java archive. Double clicking the ejs_stp_md_ConfinedLennardJonesTwoPistonSystem.jar file will run the program if Java is installed. (less)

Subject:
Mathematics
Engineering
Physics
Technology
Material Type:
Instructional Material
Interactive
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Wolfgang Christian
Ejs STP LJFluid2D Model
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Ejs STP LJFluid2D Model

The Lennard-Jones Fluid 2D program shows a system of particles in two ... (more)

The Lennard-Jones Fluid 2D program shows a system of particles in two dimensions interacting via the Lennard-Jones potential. The program displays the particles in the box as a function of time once the partition dividing the box into three parts are removed. The program is distributed as a ready-to-run (compiled) Java archive. Double-clicking the ejs_stp_LJFluid2D.jar file will run the program if Java is installed on your computer. The program was created using Ejs (Easy Java Simulations). You can modify this program and see how it is designed if you have Ejs installed by right-clicking within the window and selecting Open Ejs Model from the pop-up menu. Ejs, a part of the Open Source Physics Project, is designed to make it easier to access, modify, and generate computer models. Information about Ejs is available at www.um.es/fem/Ejs/. Additional Open Source Physics programs for Statistical and Thermal Physics can be found by searching ComPADRE for Open Source Physics, STP or Statistical and Thermal Physics. (less)

Subject:
Chemistry
Computing and Information
Physics
Material Type:
Activities and Labs
Full Course
Instructional Material
Interactive
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Anne Cox
Harvey Gould
Jan Tobochnik
Wolfgang Christian
Grand Canonical Monte Carlo Model
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Grand Canonical Monte Carlo Model

The Grand Canonical Monte Carlo Model illustrates grand canonical ensemble (µVT) Monte ... (more)

The Grand Canonical Monte Carlo Model illustrates grand canonical ensemble (µVT) Monte Carlo simulations: the chemical potential, volume and temperature are the system constraints. This means that the system has porous and diabatic walls, exchanging molecules and heat with a reservoir at constant chemical potential and temperature. The molecules interact through the Lennard-Jones. potential and fluid states at densities 0.0025 ? ? ? 0.85 and temperatures T ? 0.70 can be simulated. Although the volume is kept constant, the number of molecules fluctuates and so does the density. The aim is to reach a chemical potential approaching the imposed one. The input fields can be edited to probe different regions of the phase diagram. Chemical potentials, activity coefficients, Helmholtz free energies, entropies and their excess contributions are worked out. The Grand Canonical Monte Carlo Model was developed using the Easy Java Simulations (EJS) modeling tool. It is distributed as a ready-to-run (compiled) Java archive. Double clicking the jar file will run the program if Java is installed. You can modify this simulation if you have EJS installed by right-clicking within the map and selecting "Open Ejs Model" from the pop-up menu item. (less)

Subject:
Physics
Material Type:
Data
Instructional Material
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Fernando Silva Fernandes
HS-WCA-LJ Monte Carlo Model
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HS-WCA-LJ Monte Carlo Model

The HS-WCA-LJ Monte Carlo Model performs simultaneous canonical Monte Carlo (MC) simulations ... (more)

The HS-WCA-LJ Monte Carlo Model performs simultaneous canonical Monte Carlo (MC) simulations of 108, 256 or 500 particles interacting through the hard sphere (HS), the Weeks, Chandler and Andersen (WCA) and the Lennard-Jones (LJ) pair potentials. It was inspired by the review of Chandler, Weeks and Anderson on WCA theory, illustrating that "the attractive interactions help fix the volume of the system, but the arrangements and motions of molecules within that volume are determined primarily by the local packing and steric effects produced by the repulsive forces". The radial distribution functions for the three systems are plotted after every MC cycle, at densities and temperatures chosen by the user, and the data Tables display thermodynamic results from the LJ and WCA potentials. The thermodynamics of the HS system was addressed to another application cataloged at Open Source Physics. The objective of this application is: (i) to illustrate the canonical MC method with three different systems;(ii) to probe the densities and temperatures at which the HS and WCA potentials approach the structure(defined by the radial distribution functions) of the LJ system, regarding their use in perturbation theory. The HS-WCA-LJ Monte Carlo Model was developed using the Easy Java Simulations (EJS) modeling tool. It is distributed as a ready-to-run (compiled) Java archive. Double clicking the jar file will run the program if Java is installed. You can modify this simulation if you have EJS installed by right-clicking within the map and selecting "Open Ejs Model" from the pop-up menu item. (less)

Subject:
Mathematics
Physics
Material Type:
Data
Instructional Material
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Fernando Silva Fernandes
Hypervolume Monte Carlo Model
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Hypervolume Monte Carlo Model

The Hypervolume Monte Carlo Model implements microcanonical simulations by sampling the position ... (more)

The Hypervolume Monte Carlo Model implements microcanonical simulations by sampling the position and momentum spaces. Although it is strictly proven in the thermodynamic limit, HVMC works well with a relatively small number of molecules. In contrast to other algorithms for Monte Carlo simulations, HVMC does not involve previous integration over the momentum space or demons. It is the full non-deterministic counter part of the NVE molecular dynamics method, also providing speed distribution functions. Moreover, the method allows a straightforward simulation of the ideal gas. The Hypervolume Monte Carlo Model was developed using the Easy Java Simulations (EJS) modeling tool. It is distributed as a ready-to-run (compiled) Java archive. Double clicking the jar file will run the program if Java is installed. You can modify this simulation if you have EJS installed by right-clicking within the map and selecting "Open Ejs Model" from the pop-up menu item. (less)

Subject:
Chemistry
Physics
Material Type:
Data
Instructional Material
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Fernando Silva Fernandes
Lennard-Jones PVT System Model
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Lennard-Jones PVT System Model

The Lennard-Jones PVT System simulates a 2D system of particles confined between ... (more)

The Lennard-Jones PVT System simulates a 2D system of particles confined between a thermal reservoir and a piston. This computer model is designed to study the equation of state for particles interacting via a simple but realistic molecular potential that has a weak long-range attraction and a strong short range repulsion. Slow-moving particles are color-coded as blue and fast particles are color-coded as yellow. Users can set the initial particle energy, the initial particle separation, and the thermal reservoir temperature Tr. The thermal conductivity parameter ? determines the probability that a collision with the thermal wall will affect (thermalize) the colliding particle. If the conductivity is one, the particle velocity after a reservoir collision is set according to Maxwell-Boltzmann statistics. If the conductivity is zero, all reservoir collisions are elastic and the total internal energy E of the system is conserved.   The piston input fields in the bottom panel are used to compress and expand the system. Users can approximate an adiabatic compression by setting ?=0 and can approximate an isothermal compression by setting ?=1. The piston speed must, of course, be small to insure that the system remains in equilibrium during the compression for a (quasi-static approximation) reversible process. Separate windows allow users to follow the change in state of the system on a PV plot or a time evolution plot. The Lennard-Jones PVT model is a supplemental simulation for the article <a href="http://dx.doi.org/10.1119/1.3578419">"Pressure Oscillations in Adiabatic Compression"</a> by Roland Stout in The Physics Teacher 49(5), 280-281 (2011) and has been approved by the author and The Physics Teacher editor. The model was developed using the Easy Java Simulations (Ejs) modeling tool and is distributed as a ready-to-run (compiled) Java archive. Double clicking the ejs_stp_md_LennardJonesPVTSystem.jar file will run the program if Java is installed. (less)

Subject:
Mathematics
Engineering
Physics
Technology
Material Type:
Instructional Material
Interactive
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Wolfgang Christian
Molecular Dynamics Adiabatic Piston Model
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Molecular Dynamics Adiabatic Piston Model

The Molecular Dynamics Adiabatic Piston model shows two gas samples within a ... (more)

The Molecular Dynamics Adiabatic Piston model shows two gas samples within a horizontal cylinder that is divided by an insulated piston that moves without friction. It is a supplemental simulation for the article by Eric Gislason and has been approved by the authors and the AJP editor. Initially the piston is held (locked) in place, and the pressures of the gases on each side of the piston are different. When the piston is released it undergoes oscillations that are damped due to collisions of the particles with the piston, and it finally ends up at rest. The final pressures of the two gases are equal, but the final temperatures are typically different. All particles in the Molecular Dynamics Adiabatic Piston model have unit mass and interact through pairwise Leonard-Jones forces. Gas particles interact with the container walls via a spring (Hooke's law) force and this particle-wall interaction is used to move the piston and to compute the pressure. The temperature is computed from the average kinetic energy. The piston position and the temperature and pressure are shown as functions of time in additional windows. The Molecular Dynamics Adiabatic Piston model was created using the Easy Java Simulations (EJS) modeling tool. It is distributed as a ready-to-run (compiled) Java archive. Double clicking the ejs_md_AdiabaticPiston.jar file will run the program if Java is installed. (less)

Subject:
Physics
Material Type:
Instructional Material
Interactive
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Wolfgang Christian
Molecular Dynamics Demonstration Model
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Molecular Dynamics Demonstration Model

The EJS Molecular Dynamics Demonstration model is constructed using the Lennard-Jones potential ... (more)

The EJS Molecular Dynamics Demonstration model is constructed using the Lennard-Jones potential truncated at a distance of 3 molecular diameters. The motion of the molecules is governed by Newton's laws, approximated using the Verlet algorithm with the indicated Time step. For sufficiently small time steps dt, the system's total energy should be approximately conserved. Users can select various initial configurations using the drop down menu. (less)

Subject:
Science and Technology
Physics
Material Type:
Instructional Material
Interactive
Provider:
comPADRE
ComPADRE Digital Library
Provider Set:
Open Source Physics
ComPADRE: Resources for Physics and Astronomy Education
Author:
Wolfgang Christian
Molecular Dynamics Performance JS Model

Molecular Dynamics Performance JS Model

The Molecular Dynamics Performance JavaScript Model computes the trajectory of particles acted ... (more)

The Molecular Dynamics Performance JavaScript Model computes the trajectory of particles acted on by a Lennard-Jones force. This simulation was designed to test the speed of JavaScript for a computationally intensive model. The user can vary the number of particles, the number of frames per second displayed on the computer monitor, and the requested number of Verlet steps between frames. The actual number of Verlet steps per frame is shown. This number will be less than the requested number of steps on slow processors. The Molecular Dynamics Performance JS Model was developed using the Easy Java Simulations (EJS) version 5. It is distributed as a ready-to-run html page and requires only a browser with JavaScript support. (less)

Subject:
Computing and Information
Physics
Material Type:
Instructional Material
Interactive
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Francisco Esquembre
Wolfgang Christian
NVT-Molecular Dynamics Model
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NVT-Molecular Dynamics Model

The NVT-Molecular Dynamics Model performs molecular dynamics simulations at constant temperature of ... (more)

The NVT-Molecular Dynamics Model performs molecular dynamics simulations at constant temperature of 32, 108, 256 or 500 molecules interacting through the Lennard-Jones potential, in a wide range of densities and temperatures covering liquid, vapor and solid states. Thermodynamic properties, radial and speed distribution functions, velocity autocorrelation functions (vcf's) and their Fourier spectra, and mean square displacements (msd's) are calculated and displayed. Self-diffusion coefficients are worked out from the vcf's and msd's. Self space-time correlation functions (sstcf's) are estimated and compared with the Gaussian approximation. The 3D molecular motions can also be visualized. The motion equations are integrated by two methods, at user's choice: the damped-force with leap-frog Verlet's algorithm, and the "ad-hoc" rescaling with the velocity Verlet algorithm. The model allows to assess the role of the potential cut-off distance, the number of steps in equilibration runs, the time-step and the gap between time origins for vcf's, msd's and sstcf's. The NVT-Molecular Dynamics Model was developed using the Easy Java Simulations (EJS) modeling tool. It is distributed as a ready-to-run (compiled) Java archive. Double clicking the jar file will run the program if Java is installed. You can modify this simulation if you have EJS installed by right-clicking within the map and selecting "Open Ejs Model" from the pop-up menu item. (less)

Subject:
Physics
Material Type:
Data
Instructional Material
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Fernando Silva Fernandes
Filomena Freitas
Wolfgang Christian
STP MD Approach To Equilibrium Three Partitions Program
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STP MD Approach To Equilibrium Three Partitions Program

The MDApproachToEquilibriumThreePartitions program simulates a system of particles in two dimensions interacting ... (more)

The MDApproachToEquilibriumThreePartitions program simulates a system of particles in two dimensions interacting via the Lennard-Jones potential. The program shows the particles in the box as a function of time after the partitions dividing the box into three sections are removed. (less)

Subject:
Physics
Material Type:
Full Course
Instructional Material
Interactive
Lecture Notes
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Anne Cox
Harvey Gould
Jan Tobochnik
Wolfgang Christian
STP MD Approach To Equilibrium Two Partitions Program
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STP MD Approach To Equilibrium Two Partitions Program

The MDApproachToEquilibriumTwoPartitions program shows a system of particles in two dimensions interacting ... (more)

The MDApproachToEquilibriumTwoPartitions program shows a system of particles in two dimensions interacting via the Lennard-Jones potential. The program displays the particles in the box as a function of time once the partition dividing the box in half is removed. Users can also run the simulation in reverse to explore irreversibility. STP MDApproachToEquilibriumTwoPartitions is part of a suite of Open Source Physics programs that model aspects of Statistical and Thermal Physics (STP). The program is distributed as a ready-to-run (compiled) Java archive. Double-clicking the stp MDApproachToEquilibriumTwoPartitions.jar file will run the program if Java is installed. Additional Open Source Physics programs for Statistical and Thermal Physics are available and can be found by searching ComPADRE for Open Source Physics, STP or Statistical and Thermal Physics. (less)

Subject:
Physics
Material Type:
Full Course
Instructional Material
Interactive
Lecture Notes
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Anne Cox
Harvey Gould
Jan Tobochnik
Wolfgang Christian
STP Second Virial Coefficient Program
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STP Second Virial Coefficient Program

The STP SecondVirialCoefficient program numerically evaluates the second virial coefficient for the ... (more)

The STP SecondVirialCoefficient program numerically evaluates the second virial coefficient for the Lennard-Jones potential at various temperatures. The default is temperature range is 0.5 to 5. STP SecondVirialCoefficient is part of a suite of Open Source Physics programs that model aspects of Statistical and Thermal Physics (STP). The program is distributed as a ready-to-run (compiled) Java archive. Double clicking the stp_SecondVirialCoefficient.jar file will run the program if Java is installed on your computer. Additional programs can be found by searching ComPADRE for Open Source Physics, STP, or Statistical and Thermal Physics. (less)

Subject:
Physics
Material Type:
Full Course
Instructional Material
Interactive
Lecture Notes
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Anne Cox
Harvey Gould
Jan Tobochnik
Wolfgang Christian
STP Temperature Measurement Lennard-Jones Program
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STP Temperature Measurement Lennard-Jones Program

The STP TemperatureMeasurementLJ program simulates the exchange energy between a demon and ... (more)

The STP TemperatureMeasurementLJ program simulates the exchange energy between a demon and a system of particles interacting via the Lennard-Jones potential. The program shows the kinetic temperature of the system as a function of time, and the energy distribution of the demon. The purpose of this simulation is to understand why the demon acts as an ideal thermometer The default system is a one-dimensional ideal gas of N=64 particles in a box with linear dimension 30 and initial kinetic energy per particle of 1.0. Additional states and parameters can be specified using the Display|Switch GUI menu item. STP TemperatureMeasurementLJ is part of a suite of Open Source Physics programs that model aspects of Statistical and Thermal Physics (STP). The program is distributed as a ready-to-run (compiled) Java archive. Double-clicking the stp_TemperatureMeasurementLJ.jar file will run the program if Java is installed on your computer. Additional programs can be found by searching ComPADRE for Open Source Physics, STP, or Statistical and Thermal Physics. (less)

Subject:
Physics
Material Type:
Full Course
Instructional Material
Interactive
Lecture Notes
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Anne Cox
Harvey Gould
Jan Tobochnik
Wolfgang Christian
STP Textbook Chapter 8: Classical Gases and Liquids
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STP Textbook Chapter 8: Classical Gases and Liquids

Because there are only a few problems in statistical mechanics that can ... (more)

Because there are only a few problems in statistical mechanics that can be solved exactly, we need to develop techniques for obtaining approximate solutions. In this chapter we introduce several perturbation methods that are applicable when there is a small expansion parameter. Our discussion of the classical monatomic gas will involve many of the same considerations and diffculties encountered in quantum field theory (although knowledge of the latter is not assumed). For example, we will introduce diagrams that are analogous to Feynman diagrams and and divergences analogous to those found in quantum electrodynamics. We also discuss the spatial correlations between particles due to their interactions and the use of hard spheres as a reference system for understanding the properties of liquids. (less)

Subject:
Physics
Material Type:
Instructional Material
Textbooks
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Harvey Gould
Jan Tobochnik
STP Widom Insertion Method Program
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STP Widom Insertion Method Program

The STP Widom Insertion Method program estimates the chemical potential of a ... (more)

The STP Widom Insertion Method program estimates the chemical potential of a Lennard-Jones fluid using the Widom insertion method. The default system is a box with linear dimension L = 20 with N =100 particles at a temperature T = 1.0. STP WidomInsertionMethod is part of a suite of Open Source Physics programs that model aspects of Statistical and Thermal Physics (STP). The program is distributed as a ready-to-run (compiled) Java archive. Double-clicking the stp_WidomInsertionMethod.jar file will run the program if Java is installed on your computer. Additional programs can be found by searching ComPADRE for Open Source Physics, STP, or Statistical and Thermal Physics. (less)

Subject:
Computing and Information
Physics
Material Type:
Full Course
Instructional Material
Interactive
Lecture Notes
Provider:
ComPADRE Digital Library
Provider Set:
ComPADRE: Resources for Physics and Astronomy Education
Author:
Anne Cox
Harvey Gould
Jan Tobochnik
Wolfgang Christian
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2002 llaF ,gnivloS melborP gnireenignE dna sretupmoC ot noitcudortnI

.desu si egaugnal gnimmargorp avaJ ehT .gninnalp dna ,tnemeganam ,ecneics ,gnireenigne ni ... (more)

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