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  <front>
    <journal-meta />
    <article-meta>
      <title-group>
        <article-title>Computational Modelling for Phase Transformation Prediction in Cast Aluminum-Iron-Silicon Alloys</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Alexander S. Zhilin, Valerija R.</string-name>
          <email>a.s.zhilin@urfu.ru</email>
          <xref ref-type="aff" rid="aff3">3</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Viktor A. Bykov.</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Jianguo Li</string-name>
          <xref ref-type="aff" rid="aff2">2</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Newkirk J.W., Amine T.A.</string-name>
          <email>jnewkirk@mst.edu</email>
          <email>jnewkirk@mst.edu </email>
          <xref ref-type="aff" rid="aff1">1</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Insitute of Metallurgy, Ural Branch RAS, Ural Federal, University</institution>
          ,
          <addr-line>Yekaterinburg</addr-line>
          ,
          <country country="RU">Russia</country>
        </aff>
        <aff id="aff1">
          <label>1</label>
          <institution>Materials Science, Department, Missouri Science and, Technology University</institution>
          ,
          <addr-line>Rolla</addr-line>
          ,
          <country country="US">USA</country>
        </aff>
        <aff id="aff2">
          <label>2</label>
          <institution>School of Materials, Tsinghua University</institution>
          ,
          <addr-line>Beijin</addr-line>
          ,
          <country country="CN">China</country>
        </aff>
        <aff id="aff3">
          <label>3</label>
          <institution>Yalunina, Vladimir V. Tokarev, Materials Science Department, Ural Federal University</institution>
          ,
          <addr-line>Yekaterinburg</addr-line>
          ,
          <country country="RU">Russia</country>
        </aff>
      </contrib-group>
      <pub-date>
        <year>2017</year>
      </pub-date>
      <abstract>
        <p>The present work shows how it is possible to use computational modelling for the prediction of phase transformation processes in cast aluminum-ironsilicon alloys. Correlation between experimental and modelling data is also discussed. Modelling of alloys phases doesn`t give the actual structure components information, however it allows for prediction of phase transformations during structure formation process under cooling.</p>
      </abstract>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>Introduction</title>
    </sec>
    <sec id="sec-2">
      <title>Experiment</title>
      <p>Alloy</p>
      <sec id="sec-2-1">
        <title>Alloy 1</title>
      </sec>
      <sec id="sec-2-2">
        <title>Alloy 2</title>
      </sec>
      <sec id="sec-2-3">
        <title>Alloy 3</title>
      </sec>
      <sec id="sec-2-4">
        <title>Alloy 4</title>
      </sec>
      <sec id="sec-2-5">
        <title>Alloy 5</title>
      </sec>
      <sec id="sec-2-6">
        <title>Alloy 6 Table 1. Analyzed compositions</title>
      </sec>
    </sec>
    <sec id="sec-3">
      <title>Results and Discussion</title>
      <p>
        Distribution curves of phases in terms of variation in the concentration of silicon were obtained by composition modeling
(fig. 1, 2). The regions of solid-solutions existence, secondary phases crystallization and liquid-solid equilibrium curves
can be defined on the resulting phase diagrams. The modelled results correspond to the theory [
        <xref ref-type="bibr" rid="ref2 ref3">2-3</xref>
        ]. Iron additions
influences the stability of iron-containing phases in “liquid + solid = solid” transformations as well as increasing the number
of these transformations. The obtained temperature boundaries of each phase show how the concentration of silicon
changes: it is reducing during cooling in all phases. Moderately narrow intervals of crystallization are observed in all alloys.
In future papers it will be discussed how reducing of silicon concentration in every phase influences on final structure
components distribution in experimental alloys which operate at room temperature. The major goal of the work is to find
how the final properties of experimental alloys correlate with predicted properties as well as what is the use of modern
modelling in understanding of real structure formation process.
      </p>
      <p>Obviously, more silicon addition into the alloy results in differences in starting and finishing of crystallization, scale
of temperature crystallization intervals and positions of the “liquid + solid = solid” transformations. Of course, the presence
of these high temperature calculated phases in actual alloys was not proved by metallography; however, during
crystallization at low cooling rates the liquid phase might have zones with abnormal chemical composition which was
formed by a decrease in the content of alloying elements in the liquid phase situated among solid solution crystals. While
crystals of solid solution or chemical phase grow, the content of alloying elements in the liquid phase decreases
significantly. This leads to the formation of these zones with an unequal distribution of alloying elements in liquid phase.
c)
Figure 1 – Calculated phase diagrams for alloys: a) 92%Al-6%Si-2%Fe; b) 94%Al-4%Si-2%Fe;c) 96%Al-2%Si-2%Fe
c)
Figure 2 – Calculated phase diagrams for a) 93,5%Al-6%Si-0,5%Fe; b) 95,5%Al-4%Si-0,5%Fea)
97,5%Al-2%Si0,5%Fe</p>
      <p>It is suggested that iron containing phases at high temperature are saturated by silicon. This results in diffusion of
silicon from iron containing phases during further cooling down to 250 °C.
Thus, modeling allows getting reasonable representations of the phase composition information in the high
temperature region and expected temperatures of phase transformation areas as well as values of changing of elements
percentage in phases during crystallization at low cooling rates. On the basis of simulated diagrams, it becomes possible to
choose alloy compositions and technologies for experimental alloys manufacturing which will be the next step of current
work in searching of advanced thermally conductive cast aluminum alloys compositions.</p>
    </sec>
  </body>
  <back>
    <ref-list>
      <ref id="ref1">
        <mixed-citation>
          1.
          <string-name>
            <surname>Tański</surname>
            ,
            <given-names>T.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Labisz</surname>
            ,
            <given-names>K.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Krupińska</surname>
            ,
            <given-names>B.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Krupiński</surname>
            ,
            <given-names>M.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Król</surname>
            ,
            <given-names>M.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Maniara</surname>
            ,
            <given-names>R.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Borek</surname>
            ,
            <given-names>W.</given-names>
          </string-name>
          , “
          <article-title>Analysis of crystallization kinetics of cast aluminum-silicon alloy</article-title>
          ,
          <source>” Journal of Thermal Analysis and Calorimetry</source>
          , vol.
          <volume>123</volume>
          (
          <issue>1</issue>
          ), pp.
          <fpage>63</fpage>
          -
          <lpage>74</lpage>
          ,
          <year>2016</year>
          .
        </mixed-citation>
      </ref>
      <ref id="ref2">
        <mixed-citation>
          2.
          <string-name>
            <surname>Kim</surname>
            ,
            <given-names>Y.-M.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Kang</surname>
          </string-name>
          , D.-S.,
          <string-name>
            <surname>Hong</surname>
          </string-name>
          , S.
          <article-title>-</article-title>
          K.,
          <string-name>
            <surname>Kim</surname>
            ,
            <given-names>Y.-C.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Kang</surname>
          </string-name>
          , C.-S.,
          <string-name>
            <surname>Choi</surname>
          </string-name>
          , S.-W, “
          <article-title>Influence of variation in the silicon content on the silicon precipitation in the Al-Si binary system</article-title>
          ,
          <source>” Journal of Thermal Analysis and Calorimetry</source>
          , vol.
          <volume>128</volume>
          (
          <issue>1</issue>
          ), pp.
          <fpage>107</fpage>
          -
          <lpage>113</lpage>
          ,
          <year>2017</year>
          .
        </mixed-citation>
      </ref>
      <ref id="ref3">
        <mixed-citation>
          3.
          <string-name>
            <surname>Ye</surname>
          </string-name>
          , H.,
          <article-title>“An overview of the development of Al-Si-alloy based material for engine applications</article-title>
          ,
          <source>” Journal of Materials Engineering and Performance</source>
          , vol.
          <volume>12</volume>
          (
          <issue>3</issue>
          ), pp.
          <fpage>288</fpage>
          -
          <lpage>297</lpage>
          ,
          <year>2003</year>
          .
        </mixed-citation>
      </ref>
      <ref id="ref4">
        <mixed-citation>
          4.
          <string-name>
            <surname>Taylor</surname>
          </string-name>
          , J.A., “
          <article-title>Iron-containing intermetallic phases in Al-Si based casting alloys</article-title>
          ,
          <source>” 11th International Congress On Metallurgy &amp; Materials Sam/Conamet</source>
          <year>2011</year>
          ,vol.
          <volume>1</volume>
          , pp.
          <fpage>19</fpage>
          -
          <lpage>33</lpage>
          ,
          <year>2012</year>
          .
        </mixed-citation>
      </ref>
      <ref id="ref5">
        <mixed-citation>
          5.
          <string-name>
            <surname>Jabłoński</surname>
            ,
            <given-names>M.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Knych</surname>
            ,
            <given-names>T.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Mamala</surname>
            ,
            <given-names>A.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Smyrak</surname>
            ,
            <given-names>B.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Wojtaszek</surname>
            ,
            <given-names>K.</given-names>
          </string-name>
          , “
          <article-title>Influence of Fe and Si addition on the properties and structure conductivity aluminium,” Archives of Metallurgy and Materials</article-title>
          , vol.
          <volume>62</volume>
          (
          <issue>3</issue>
          ), pp.
          <fpage>1541</fpage>
          -
          <lpage>1547</lpage>
          ,
          <year>2017</year>
          .
        </mixed-citation>
      </ref>
      <ref id="ref6">
        <mixed-citation>
          6.
          <string-name>
            <surname>Mbuya</surname>
            ,
            <given-names>T.O.</given-names>
          </string-name>
          ,
          <string-name>
            <surname>Odera</surname>
            ,
            <given-names>B.O.</given-names>
          </string-name>
          ,
          <article-title>Ng'ang'a</article-title>
          ,
          <string-name>
            <surname>S.P.</surname>
          </string-name>
          , “
          <article-title>Influence of iron on castability and properties of aluminium silicon alloys: literature review</article-title>
          ,”
          <source>International Journal Of Cast Metals Research</source>
          , vol.
          <volume>16</volume>
          (
          <issue>5</issue>
          ), pp.
          <fpage>451</fpage>
          -
          <lpage>465</lpage>
          ,
          <year>2003</year>
          .
        </mixed-citation>
      </ref>
    </ref-list>
  </back>
</article>