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        <title>Samuel J. Frost &mdash; University of Warwick</title>
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    <h1>Samuel&nbsp;J.&nbsp;Frost</h1>
    <code style="font-size: 1em">samuel<span class=sep> &lt;dot&gt; </span>frost<span class=sep> &lt;at&gt; </span>warwick<span class=sep> &lt;dot&gt; </span>ac<span class=sep> &lt;dot&gt; </span>uk</code>
    <h3><a href="/">&#8617;Home!</a></h3>
    <h2>The 74<sup>th</sup> Diamond Research Conference</h2>

    <p>
        PDF of the poster is available <a href="/poster2024/poster.pdf">here</a>!
        <!-- (<a href="https://github.com/Samuel-Frost/Poster">source code</a>) -->
    </p>

    <a id="nnvh"></a>
    <h2>NnVH Defects</h2>

    <h3>VH</h3>
    <video loop autoplay muted width=85%>
      <source src="/poster2024/vh.mp4" type="video/mp4">
    </video>


    <h3>NVH</h3>
    <video loop autoplay muted width=85%>
      <source src="/poster2024/nvh.mp4" type="video/mp4">
    </video>

    <h3>N<sub>2</sub>VH</h3>
    <video loop autoplay muted width=85%>
      <source src="/poster2024/n2vh_new.mp4" type="video/mp4">
    </video>
    <p>The typical structure of an N<sub>2</sub>VH defect, the hydrogen is rapdily quantum tunnelling between equivalent carbons, giving it an averaged C<sub>3v</sub> symmetry in EPR!</p>


    <div id="vacancy">
    <h2>Vacancy Migration</h2>
    </div>

    <h3>Bulk Vacancy Migration</h3>
    <video loop autoplay muted width=85%>
      <source src="/poster2024/vacancy_single.mp4" type="video/mp4">
    </video>
    <p>The minimum energy path of a vacancy switching places with a carbon atom, calculated through DFT. The path is clearly crooked despite being in a periodic bulk cell.</p>



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    <h3>Vacancy Migration to the Surface</h3>
    <video class="mobile" loop autoplay muted style="width: 100%;">
      <source src="/poster2024/output_v.mp4" type="video/mp4">
    </video>

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      <source src="/poster2024/output_h.mp4" type="video/mp4">
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    <strong>No. of Bonds</strong>
    <ul>
        <li>Yellow = 4</li>
        <li>Blue = 3</li>
        <li>Purple &le; 2</li>
    </ul>
    <p>
    The molecular dynamics simulation shows a vacancy moving from the bulk to the surface along the minimum energy path.
    Since you cannot physically track a vacancy, as it does not exist, instead it's easiest to track atoms with fewer than 4 bonds.
    <br>
    The graph tracks the vacancy and shows its energy along the path to the surface.
    There is a clear lowering of energy as the vacancy gets closer to the surface, implying there should be some form of diffusion gradient which could cause the destruction of the vacancy.
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