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34 | <span>Home</span></a></h1> |
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35 | <h2 class="heading"><span>2.3.1. Hardsphere</span></h2> |
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40 | «  <a href="../ref/models/structure-factor.html">2.3. Structure Factors</a> |
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51 | <div class="section" id="hardsphere"> |
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52 | <span id="id1"></span><h1>2.3.1. Hardsphere<a class="headerlink" href="#hardsphere" title="Permalink to this headline">¶</a></h1> |
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53 | <p>Hard sphere structure factor, with Percus-Yevick closure</p> |
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60 | </colgroup> |
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61 | <thead valign="bottom"> |
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62 | <tr class="row-odd"><th class="head">Parameter</th> |
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63 | <th class="head">Description</th> |
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64 | <th class="head">Units</th> |
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65 | <th class="head">Default value</th> |
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66 | </tr> |
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67 | </thead> |
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68 | <tbody valign="top"> |
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69 | <tr class="row-even"><td>scale</td> |
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70 | <td>Source intensity</td> |
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71 | <td>None</td> |
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72 | <td>1</td> |
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73 | </tr> |
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74 | <tr class="row-odd"><td>background</td> |
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75 | <td>Source background</td> |
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76 | <td>cm<sup>-1</sup></td> |
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77 | <td>0</td> |
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78 | </tr> |
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79 | <tr class="row-even"><td>effect_radius</td> |
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80 | <td>effective radius of hard sphere</td> |
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81 | <td>â«</td> |
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82 | <td>50</td> |
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83 | </tr> |
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84 | <tr class="row-odd"><td>volfraction</td> |
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85 | <td>volume fraction of hard spheres</td> |
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86 | <td>None</td> |
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87 | <td>0.2</td> |
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88 | </tr> |
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89 | </tbody> |
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90 | </table> |
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91 | <p>The returned value is scaled to units of cm<sup>-1</sup>.</p> |
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92 | <p>Calculate the interparticle structure factor for monodisperse |
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93 | spherical particles interacting through hard sphere (excluded volume) |
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94 | interactions.</p> |
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95 | <p>The calculation uses the Percus-Yevick closure where the interparticle |
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96 | potential is</p> |
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97 | <p>where <em>r</em> is the distance from the center of the sphere of a radius <em>R</em>.</p> |
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98 | <p>For a 2D plot, the wave transfer is defined as</p> |
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99 | <div class="math"> |
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100 | \[q = \sqrt{q_x^2 + q_y^2}\]</div> |
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101 | <img alt="../_images/HardSphere_1d.jpg" src="../_images/HardSphere_1d.jpg" /> |
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102 | <p><em>Figure. 1D plot using the default values (in linear scale).</em></p> |
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103 | <p>REFERENCE</p> |
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104 | <p>J K Percus, J Yevick, <em>J. Phys. Rev.</em>, 110, (1958) 1</p> |
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