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https://gitlab.rlp.net/mobitar/ReCo.jl.git
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51 lines
No EOL
1.1 KiB
Julia
51 lines
No EOL
1.1 KiB
Julia
using CairoMakie
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using LaTeXStrings: @L_str
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const minimum_r_σ_ratio = 2^(1 / 6)
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function U_LJ_ϵ_ratio(r_σ_ratio::Real)
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σ_r_ratio⁶ = r_σ_ratio^(-6)
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return 4 * (σ_r_ratio⁶^2 - σ_r_ratio⁶)
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end
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function U_WCA_ϵ_ratio(r_σ_ratio::Real)
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if r_σ_ratio > minimum_r_σ_ratio
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return zero(r_σ_ratio)
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else
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return U_LJ_ϵ_ratio(r_σ_ratio) + 1
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end
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end
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text_width_in_pt = 405
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fig = Figure(;
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resolution=(text_width_in_pt, 0.55 * text_width_in_pt), fontsize=10, figure_padding=1
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)
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max_x = 2.5
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max_y = 1.05
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min_y = -max_y
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ax = Axis(fig[1, 1]; xlabel=L"r/σ", ylabel=L"U/ϵ", limits=(0.88, max_x, min_y, max_y))
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r_σ_ratio = LinRange(0.95, max_x, 1000)
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LJ = lines!(ax, r_σ_ratio, U_LJ_ϵ_ratio.(r_σ_ratio))
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WCA = lines!(ax, r_σ_ratio, U_WCA_ϵ_ratio.(r_σ_ratio))
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minimum_r_σ_ratio_line = lines!(
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ax, [minimum_r_σ_ratio, minimum_r_σ_ratio], [min_y, max_y]; linestyle=:dash, linewidth=1
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)
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Legend(
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fig[1, 2],
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[LJ, WCA, minimum_r_σ_ratio_line],
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[L"U_{LJ}", L"U_{WCA}", L"\frac{r}{σ} = 2^{1/6}"],
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)
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colgap!(fig.layout, 5)
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rowgap!(fig.layout, 5)
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save("exports/graphics/potential.pdf", fig; pt_per_unit=1) |