Input File

This is a required input file used for passing materials properties and controlling parameters into the simulation program.

Four elements of input.xml

There are four child elements under the root input element. They are:

dimension for settting simulation dimensions
output for setting output configurations
system for setting simulation system configurations
structure for setting simulation structure configurations

An input.xml file look will look like this:


<input>
  <dimension>...</dimension>
  <output>...</output>
  <system>...</system>
  <structure>...</structure>
</input>

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Dimension

The dimension element contains six child elements:

nx, ny, and nz for unitless simulation grid counts in three dimension
dx, dy, and dz for each simulation grid size in meter. Thus, $nx \cdot dx$ will give you the real space simulation dimension along x in meter.

Notice, you must set a numeric value for all six child elements.

An example dimension element looks like this:


<dimension>
  <nx>64</nx>
  <ny>64</ny>
  <nz>64</nz>
  <dx>5e-7</dx>
  <dy>5e-7</dy>
  <dz>5e-7</dz>
</dimension>

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Output

The output element contains only one child element:

format two options available, vti or dat, both file format will be explained in the Output Files part. An example output element looks like this:


<output>
  <format>vti</format>
</output>

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System

The system element contains 5 child elements:

type Set the calculation type, here is a list of available system types
distribution Set whether you want to calculate a distribution under external field, either 0 or 1.
external If distribution set to 1, then you must specify value of the external field you want to apply. Please check the page of each system for how to set the external element.
solver Set some solver related settings. Contain a ref element which contains tensor as the reference tensor value for our solver. Please check the page of each system for how to set the solver -> ref element.
material Contain multiple phase elements to set the property tensors for each phase. Please check the material section for details. An example system element looks like this


<system>
  <type>dielectric</type>
  <distribution>1</distribution>
  <external>
    <electricField>
      <x>0</x>
      <y>0</y>
      <z>1e6</z>
    </electricField>
  </external>
  <solver>
    <ref>
      <tensor>
        <name>permittivity</name>
        <rank>2</rank>
        <pointGroup>custom</pointGroup>
        <component>
          <value>100</value>
          <index>11</index>
          <index>22</index>
          <index>33</index>
        </component>
      </tensor>
    </ref>
  </solver>
  <material>
    <phase>
      <label>0</label>
      <tensor>
        <name>permittivity</name>
        <rank>2</rank>
        <pointGroup>custom</pointGroup>
        <component>
          <value>10.1</value>
          <index>11</index>
          <index>22</index>
          <index>33</index>
        </component>
      </tensor>
    </phase>
    <phase>
      <label>1</label>
      <tensor>
        <name>permittivity</name>
        <rank>2</rank>
        <pointGroup>custom</pointGroup>
        <component>
          <value>100</value>
          <index>11</index>
          <index>22</index>
          <index>33</index>
        </component>
      </tensor>
    </phase>
  </material>
</system>

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Structure

The structure element has one required child element:

sourceType And depending on the sourceType you choose, the structure element may have two other different child elements:

If you choose xml for sourceType, then:

matrixLabel
geometry An example structure element looks like this:


<structure>
    <sourceType>xml</sourceType>
    <matrixLabel>0</matrixLabel>
    <geometry>
        <type>slab</type>
        <centerX>128</centerX>
        <centerY>1</centerY>
        <centerZ>128</centerZ>
        <normalX>0</normalX>
        <normalY>0</normalY>
        <normalZ>1</normalZ>
        <thickness>85</thickness>
        <label>2</label>
        <matrixLabel>0</matrixLabel>
    </geometry>
</structure>

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If you choose dat or vti for sourceType, then:

dataType
keypoints An example structure element looks like this:


<structure>
    <sourceType>dat</sourceType>
    <dataType>continuous</dataType>
    <keypoints>
      <value>0.5</value>
    </keypoints>
</structure>

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Example input.xml file

Here is an example input.xml file:


<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<input>
  <output>
    <format>vti</format>
  </output>
  <dimension>
    <nx>64</nx>
    <ny>64</ny>
    <nz>64</nz>
    <dx>5e-7</dx>
    <dy>5e-7</dy>
    <dz>5e-7</dz>
  </dimension>
  <system>
    <type>elastic</type>
    <distribution>0</distribution>
    <external>
      <elastic>
        <type>strain</type>
        <strain>
          <tensor11>0.01</tensor11>
          <tensor22>0.00</tensor22>
          <tensor33>0.00</tensor33>
          <tensor23>0.00</tensor23>
          <tensor13>0.00</tensor13>
          <tensor12>0.00</tensor12>
        </strain>
      </elastic>
    </external>
    <solver>
      <ref>
        <tensor>
          <name>stiffness</name>
          <rank>4</rank>
          <pointGroup>isotropic</pointGroup>
          <component>
            <value>1e6</value>
            <index>young</index>
          </component>
          <component>
            <value>0.3</value>
            <index>poisson</index>
          </component>
        </tensor>
      </ref>
    </solver>
    <material>
      <phase>
        <label>0</label>
        <tensor>
          <name>stiffness</name>
          <rank>4</rank>
          <pointGroup>isotropic</pointGroup>
          <component>
            <value>1e6</value>
            <index>young</index>
          </component>
          <component>
            <value>0.3</value>
            <index>poisson</index>
          </component>
        </tensor>
      </phase>
      <phase>
        <label>1</label>
        <tensor>
          <name>stiffness</name>
          <rank>4</rank>
          <pointGroup>isotropic</pointGroup>
          <component>
            <value>1e3</value>
            <index>young</index>
          </component>
          <component>
            <value>0.3</value>
            <index>poisson</index>
          </component>
        </tensor>
      </phase>
    </material>
  </system>
  <structure>
        <sourceType>xml</sourceType>
        <matrixLabel>0</matrixLabel>
        <geometry>
            <type>slab</type>
            <centerX>128</centerX>
            <centerY>1</centerY>
            <centerZ>128</centerZ>
            <normalX>0</normalX>
            <normalY>0</normalY>
            <normalZ>1</normalZ>
            <thickness>85</thickness>
            <label>2</label>
            <matrixLabel>0</matrixLabel>
        </geometry>
  </structure>
</input>

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Input File #

Four elements of input.xml #

Dimension #

Output #

System #

Structure #