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using namespace std; |
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namespace OpenMD { |
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< |
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/// Calculates the contact angle of a droplet with a surface |
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/// using a spherical cap approximation for the droplet. |
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/** The position of the spherical cap relative to the surface plane |
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is determined by the center-of-mass position of the selection, |
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and this method assumes a uniform density in the droplet. The |
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angle of intersection between the surface of the spherical cap |
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and the plane defines the contact angle, which is related to |
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the center of mass height by: |
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\f$ z_\mathrm{cm} = (2)^{-4/3} R_0 \left( |
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\frac{1-\cos\theta}{2+\cos\theta}\right)^{1/3) |
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\frac{3+\cos\theta}{2+\cos\theta} \f$ |
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where \f$z_\mathrm{cm}\f$ is measured relative to the planar |
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surface, and \f$R_0\f$ is the radius of the free spherical |
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droplet. |
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This method was first proposed in: |
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J. Hautman and M.L. Klein, Phys. Rev. Lett. 67(13), 1763 (1991). |
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DOI: 10.1103/PhysRevLett.67.1763 |
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This Analyzer requires statement of the reference height of the |
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solid surface, solidZ, and \f$R_0\f$, the dropletRadius. |
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*/ |
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class ContactAngle1 : public SequentialAnalyzer{ |
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public: |
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ContactAngle1(SimInfo* info, const std::string& filename, |
