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Dominant factors of thermal conduction in alkali silicate glasses and melts: A molecular dynamics study.

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Title: Dominant factors of thermal conduction in alkali silicate glasses and melts: A molecular dynamics study.
Authors: Noguchi, Yuma1 (AUTHOR), Shimizu, Masahiro1 (AUTHOR) shimizu.masahiro.3m@kyoto-u.ac.jp, Sukenaga, Sohei2 (AUTHOR), Endo, Rie3 (AUTHOR), Nishi, Tsuyoshi4 (AUTHOR), Shimotsuma, Yasuhiko1 (AUTHOR), Miura, Kiyotaka1 (AUTHOR)
Source: Journal of the American Ceramic Society. Apr2025, Vol. 108 Issue 4, p1-11. 11p.
Subjects: Continuous casting, Steel founding, Bulk modulus, Cast steel, Ultrasonic waves, Speed of sound
Abstract: As representative compositions of the mold flux used in the continuous casting of steel, the temperature and composition dependence of the thermal conductivity of alkali silicate glasses and melts was investigated in the range of 300–1700 K using molecular dynamics (MD) simulations. MD simulations can exclude disturbances such as radiation, convection, and impurities, and extract only the effect of phonons on the thermal conduction. Thermal conductivity determined by the laser flash (LF) method was reported to be three times higher than that obtained by the unsteady hot wire (HW) method in the high‐temperature range of 1250–1550 K for 33.3Na2O–66.7SiO2 (mol%). This study shows that (1) the thermal conductivity estimated by MD simulations was closer to the experimental value of the LF method than those of the HW method above 1200 K, which suggests that the LF method is reliable and that the effect of radiation on the thermal conductivity is not significant. (2) The decrease in the thermal conductivity measured by the LF method in the range of 1250–1550 K was attributed to the decrease in the bulk modulus of the 33.3Na2O–66.7SiO2 melt. (3) In a series of Na2O–SiO2 melts, the sound velocity calculated by MD decreased with increasing Na2O content, which is consistent with Shiraishi's ultrasonic wave measurements. [ABSTRACT FROM AUTHOR]
Copyright of Journal of the American Ceramic Society is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Dominant factors of thermal conduction in alkali silicate glasses and melts: A molecular dynamics study.
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  Data: <searchLink fieldCode="AR" term="%22Noguchi%2C+Yuma%22">Noguchi, Yuma</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Shimizu%2C+Masahiro%22">Shimizu, Masahiro</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> shimizu.masahiro.3m@kyoto-u.ac.jp</i><br /><searchLink fieldCode="AR" term="%22Sukenaga%2C+Sohei%22">Sukenaga, Sohei</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Endo%2C+Rie%22">Endo, Rie</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Nishi%2C+Tsuyoshi%22">Nishi, Tsuyoshi</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Shimotsuma%2C+Yasuhiko%22">Shimotsuma, Yasuhiko</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Miura%2C+Kiyotaka%22">Miura, Kiyotaka</searchLink><relatesTo>1</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+the+American+Ceramic+Society%22">Journal of the American Ceramic Society</searchLink>. Apr2025, Vol. 108 Issue 4, p1-11. 11p.
– Name: Subject
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  Data: <searchLink fieldCode="DE" term="%22Continuous+casting%22">Continuous casting</searchLink><br /><searchLink fieldCode="DE" term="%22Steel+founding%22">Steel founding</searchLink><br /><searchLink fieldCode="DE" term="%22Bulk+modulus%22">Bulk modulus</searchLink><br /><searchLink fieldCode="DE" term="%22Cast+steel%22">Cast steel</searchLink><br /><searchLink fieldCode="DE" term="%22Ultrasonic+waves%22">Ultrasonic waves</searchLink><br /><searchLink fieldCode="DE" term="%22Speed+of+sound%22">Speed of sound</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: As representative compositions of the mold flux used in the continuous casting of steel, the temperature and composition dependence of the thermal conductivity of alkali silicate glasses and melts was investigated in the range of 300–1700 K using molecular dynamics (MD) simulations. MD simulations can exclude disturbances such as radiation, convection, and impurities, and extract only the effect of phonons on the thermal conduction. Thermal conductivity determined by the laser flash (LF) method was reported to be three times higher than that obtained by the unsteady hot wire (HW) method in the high‐temperature range of 1250–1550 K for 33.3Na2O–66.7SiO2 (mol%). This study shows that (1) the thermal conductivity estimated by MD simulations was closer to the experimental value of the LF method than those of the HW method above 1200 K, which suggests that the LF method is reliable and that the effect of radiation on the thermal conductivity is not significant. (2) The decrease in the thermal conductivity measured by the LF method in the range of 1250–1550 K was attributed to the decrease in the bulk modulus of the 33.3Na2O–66.7SiO2 melt. (3) In a series of Na2O–SiO2 melts, the sound velocity calculated by MD decreased with increasing Na2O content, which is consistent with Shiraishi's ultrasonic wave measurements. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of the American Ceramic Society is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1111/jace.20288
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      – Code: eng
        Text: English
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        PageCount: 11
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    Subjects:
      – SubjectFull: Continuous casting
        Type: general
      – SubjectFull: Steel founding
        Type: general
      – SubjectFull: Bulk modulus
        Type: general
      – SubjectFull: Cast steel
        Type: general
      – SubjectFull: Ultrasonic waves
        Type: general
      – SubjectFull: Speed of sound
        Type: general
    Titles:
      – TitleFull: Dominant factors of thermal conduction in alkali silicate glasses and melts: A molecular dynamics study.
        Type: main
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            NameFull: Noguchi, Yuma
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            NameFull: Shimizu, Masahiro
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            NameFull: Sukenaga, Sohei
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            NameFull: Nishi, Tsuyoshi
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            NameFull: Shimotsuma, Yasuhiko
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            – D: 01
              M: 04
              Text: Apr2025
              Type: published
              Y: 2025
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            – TitleFull: Journal of the American Ceramic Society
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