Morse potential file for Cu, Si & C in LAMMPS?

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Calculate free energy via LAMMPS?

Dear all, I want to calculate free energy via LAMMPS, we knows that: dG = -SdT + VdP + sum(mu.dN) where mu is chemical potential and At constant pressure: dG = -SdT + sum(mu.dN)

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Hi...every body...how can i detect amorphous structure in lammps?

hi...every body...how can i detect amorphous structure in lammps? tnx.

08 September 2016 3,280 5 View

How can i detect and calculate dislocation density?

Dear everybody How can i detect and calculate dislocation density in metal single crystal under tension in Molecular Dynamic Simulation?

08 September 2016 9,592 3 View

What is the reason for current dropping in OER , LSV curve?

I tried four trials of the same Copper Phosphides sample in Alkaline medium ( 0.5M KOH) with Hg/HgO reference electrode and Pt as counter electrode. I used 0.001 V/s scan rate for first three...

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Adhesion strength of coating?

How can I determine a good adhesion strength range for coatings on polymer surfaces, such as DLC on polymer substrates? Is there a specific threshold for adhesion strength (from T-peel tests)...

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Do interactions between biosphere, carbon cycle, & water cycle impact global warming & interaction between atmosphere & hydrosphere?

How do interactions between the biosphere, the carbon cycle, and the water cycle impact global warming and interaction between the atmosphere and the hydrosphere?

09 August 2024 3,291 2 View

Why do i have a weak plasma and no coating during rf sputtering?

I have been getting a low plasma and no coating while doing rf sputtering of copper doped ZnS using a power of 140 watts and at pressure of 6.5x10-3 Mb.

07 August 2024 4,526 4 View

Who of all of you will help TPEOM to re-originate the Earths atmosphere to it original 5 atmospheric elements/gases?

Global ‘Weather’ has stopped, as ‘aqua thermionic instituted by the ‘Global thermo atmospherics has instituted global thermodynamics of 120º C + and thus all waters are, or have boiled into a...

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In the presence of VERY high concentration (1000 ppm) of silicon, the adsorption isotherms of arsenic are showing anomalous trends, why so?

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How can I separate graphene from amorphous carbon of similar particle sizes?

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Question about combustion Kinetics ?

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Addition of EDTA during the synthesis of copper nanoparticles to prevent it from being oxidized?

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What are the perfect mathematical model for a solar-powered ship implementation?

A computational study of heat flux on cylindrical surfaces using CNT hybrid nanofluids

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Amir Reza Ansari Dezfoli

For Cu : Application of the Morse Potential Function to Cubic Metals L. A. GIRIFALCO AND V. G. WEIZER Lewis Research Center, National Aeronautics and Space Administration, Cleveland, Ohio (Received December 4, .1958)

Thomas A Detemple

See Phys Rev vol 114 page 687 May 1959 for the Girifalco report.

Arash Kardani

Thank you Dr. Thomas A Detemple