Plotting Lennard-Jones Potential

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Nate Downs
Nate Downs 2020-1-23
回答： Sindar 2020-1-23
Hi. I'm trying to plot the Lennard-Jones potential and am making my first script to do so. However, whenever I try to plot the function, I'm not getting anything out. What am I doing wrong?
U = @(e,s,r) 4*e*((s./r).^12 - (s./r).^6); % Lennard-Jones
r = .13: .13: .13; %radius
e1 = 0.70641 ; %Fe-Fe
e2 = 1.11195 ; %Mo-Mo
e3 = 0.67322 ;%Cr-Cr
r01 = 0.0226738 ; %Angstroms
r02 = 0.0248919 ; %Angstroms
r03 = 0.0228130 ; %Angstroms
s1 = 4.327 ; %potential energy
s2 = 6.812 ; %potential energy
s3 = 4.129 ; %potential energy
plot( r, s1, r, s2, r, s3);
title("Fe, Mo, Cr");
xlabel("distance"); ylabel("potential energy");
grid
ylim([-2 2])

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回答（1 个）

Sindar
Sindar 2020-1-23
It looks like you are only plotting single points, so you might miss them in the plot. Also, what is the purpose of U in this script?

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