https://www.scipedia.com/wd/index.php?action=history&feed=atom&title=Kim_et_al_2020aKim et al 2020a - Revision history2026-04-29T16:45:41ZRevision history for this page on the wikiMediaWiki 1.27.0-wmf.10https://www.scipedia.com/wd/index.php?title=Kim_et_al_2020a&diff=172075&oldid=prevScipediacontent: Scipediacontent moved page Draft Content 785340942 to Kim et al 2020a2020-09-25T11:15:38Z<p>Scipediacontent moved page <a href="/public/Draft_Content_785340942" class="mw-redirect" title="Draft Content 785340942">Draft Content 785340942</a> to <a href="/public/Kim_et_al_2020a" title="Kim et al 2020a">Kim et al 2020a</a></p>
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<td colspan='1' style="background-color: white; color:black; text-align: center;">Revision as of 11:15, 25 September 2020</td>
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</td></tr></table>Scipediacontenthttps://www.scipedia.com/wd/index.php?title=Kim_et_al_2020a&diff=172074&oldid=prevScipediacontent: Created page with "== Abstract == Ordinary Portland Cement (OPC) is a mixture consisting of various phases. Because of mineralogical complexity, the relationship between chemical reactivity of..."2020-09-25T11:15:35Z<p>Created page with "== Abstract == Ordinary Portland Cement (OPC) is a mixture consisting of various phases. Because of mineralogical complexity, the relationship between chemical reactivity of..."</p>
<p><b>New page</b></p><div>== Abstract ==<br />
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Ordinary Portland Cement (OPC) is a mixture consisting of various phases. Because of mineralogical complexity, the relationship between chemical reactivity of the mixture and each individual phase is still unanswered question. In this study, computational method based on Density Functional Theory (DFT) was applied to investigate the chemical reactivity of different polymorphs of dicalcium silicate crystals. At first, computationally generated dicalcium silicate crystals were geometrically optimized to achieve targeted convergence criteria for computing the total internal energy, lattice parameters, and atomic arrangement at 0K. The simulations performed explain well the thermodynamic stability as well as the synthesis temperatures of the different polymorphs of dicalcium silicate.<br />
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== Full document ==<br />
<pdf>Media:Draft_Content_785340942p612.pdf</pdf></div>Scipediacontent