Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations
The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coeff...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Wang, Zhe [verfasserIn] |
|---|
| Format: |
E-Artikel |
|---|---|
| Sprache: |
Englisch |
| Erschienen: |
2020transfer abstract |
|---|
| Übergeordnetes Werk: |
Enthalten in: Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms - Schweiger, G. ELSEVIER, 2019, a journal on the chemical, electronic, optical and mechanical properties of glasses, amorphous semiconductors and metals, sol-gel materials, the liquid state of these solids and the processes by which they are formed, Amsterdam [u.a.] |
|---|---|
| Übergeordnetes Werk: |
volume:531 ; year:2020 ; day:1 ; month:03 ; pages:0 |
| Links: |
|---|
| DOI / URN: |
10.1016/j.jnoncrysol.2019.119851 |
|---|
| Katalog-ID: |
ELV049673726 |
|---|
| LEADER | 01000caa a22002652 4500 | ||
|---|---|---|---|
| 001 | ELV049673726 | ||
| 003 | DE-627 | ||
| 005 | 20230626024916.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 200518s2020 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1016/j.jnoncrysol.2019.119851 |2 doi | |
| 028 | 5 | 2 | |a /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000000944.pica |
| 035 | |a (DE-627)ELV049673726 | ||
| 035 | |a (ELSEVIER)S0022-3093(19)30721-5 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 082 | 0 | 4 | |a 510 |q VZ |
| 084 | |a 31.80 |2 bkl | ||
| 084 | |a 31.76 |2 bkl | ||
| 100 | 1 | |a Wang, Zhe |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations |
| 264 | 1 | |c 2020transfer abstract | |
| 336 | |a nicht spezifiziert |b zzz |2 rdacontent | ||
| 337 | |a nicht spezifiziert |b z |2 rdamedia | ||
| 338 | |a nicht spezifiziert |b zu |2 rdacarrier | ||
| 520 | |a The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. | ||
| 520 | |a The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. | ||
| 700 | 1 | |a Wen, Guanghua |4 oth | |
| 700 | 1 | |a Liu, Qiang |4 oth | |
| 700 | 1 | |a Huang, Shuheng |4 oth | |
| 700 | 1 | |a Tang, Ping |4 oth | |
| 700 | 1 | |a Yu, Liang |4 oth | |
| 773 | 0 | 8 | |i Enthalten in |n Elsevier Science |a Schweiger, G. ELSEVIER |t Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms |d 2019 |d a journal on the chemical, electronic, optical and mechanical properties of glasses, amorphous semiconductors and metals, sol-gel materials, the liquid state of these solids and the processes by which they are formed |g Amsterdam [u.a.] |w (DE-627)ELV002959275 |
| 773 | 1 | 8 | |g volume:531 |g year:2020 |g day:1 |g month:03 |g pages:0 |
| 856 | 4 | 0 | |u https://doi.org/10.1016/j.jnoncrysol.2019.119851 |3 Volltext |
| 912 | |a GBV_USEFLAG_U | ||
| 912 | |a GBV_ELV | ||
| 912 | |a SYSFLAG_U | ||
| 912 | |a SSG-OPC-MAT | ||
| 936 | b | k | |a 31.80 |j Angewandte Mathematik |q VZ |
| 936 | b | k | |a 31.76 |j Numerische Mathematik |q VZ |
| 951 | |a AR | ||
| 952 | |d 531 |j 2020 |b 1 |c 0301 |h 0 | ||
| author_variant |
z w zw |
|---|---|
| matchkey_str |
wangzhewenguanghualiuqianghuangshuhengta:2020----:siaightemlodciiyfaa23i2lgbeulbimoe |
| hierarchy_sort_str |
2020transfer abstract |
| bklnumber |
31.80 31.76 |
| publishDate |
2020 |
| allfields |
10.1016/j.jnoncrysol.2019.119851 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000000944.pica (DE-627)ELV049673726 (ELSEVIER)S0022-3093(19)30721-5 DE-627 ger DE-627 rakwb eng 510 VZ 31.80 bkl 31.76 bkl Wang, Zhe verfasserin aut Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations 2020transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. Wen, Guanghua oth Liu, Qiang oth Huang, Shuheng oth Tang, Ping oth Yu, Liang oth Enthalten in Elsevier Science Schweiger, G. ELSEVIER Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms 2019 a journal on the chemical, electronic, optical and mechanical properties of glasses, amorphous semiconductors and metals, sol-gel materials, the liquid state of these solids and the processes by which they are formed Amsterdam [u.a.] (DE-627)ELV002959275 volume:531 year:2020 day:1 month:03 pages:0 https://doi.org/10.1016/j.jnoncrysol.2019.119851 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OPC-MAT 31.80 Angewandte Mathematik VZ 31.76 Numerische Mathematik VZ AR 531 2020 1 0301 0 |
| spelling |
10.1016/j.jnoncrysol.2019.119851 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000000944.pica (DE-627)ELV049673726 (ELSEVIER)S0022-3093(19)30721-5 DE-627 ger DE-627 rakwb eng 510 VZ 31.80 bkl 31.76 bkl Wang, Zhe verfasserin aut Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations 2020transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. Wen, Guanghua oth Liu, Qiang oth Huang, Shuheng oth Tang, Ping oth Yu, Liang oth Enthalten in Elsevier Science Schweiger, G. ELSEVIER Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms 2019 a journal on the chemical, electronic, optical and mechanical properties of glasses, amorphous semiconductors and metals, sol-gel materials, the liquid state of these solids and the processes by which they are formed Amsterdam [u.a.] (DE-627)ELV002959275 volume:531 year:2020 day:1 month:03 pages:0 https://doi.org/10.1016/j.jnoncrysol.2019.119851 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OPC-MAT 31.80 Angewandte Mathematik VZ 31.76 Numerische Mathematik VZ AR 531 2020 1 0301 0 |
| allfields_unstemmed |
10.1016/j.jnoncrysol.2019.119851 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000000944.pica (DE-627)ELV049673726 (ELSEVIER)S0022-3093(19)30721-5 DE-627 ger DE-627 rakwb eng 510 VZ 31.80 bkl 31.76 bkl Wang, Zhe verfasserin aut Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations 2020transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. Wen, Guanghua oth Liu, Qiang oth Huang, Shuheng oth Tang, Ping oth Yu, Liang oth Enthalten in Elsevier Science Schweiger, G. ELSEVIER Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms 2019 a journal on the chemical, electronic, optical and mechanical properties of glasses, amorphous semiconductors and metals, sol-gel materials, the liquid state of these solids and the processes by which they are formed Amsterdam [u.a.] (DE-627)ELV002959275 volume:531 year:2020 day:1 month:03 pages:0 https://doi.org/10.1016/j.jnoncrysol.2019.119851 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OPC-MAT 31.80 Angewandte Mathematik VZ 31.76 Numerische Mathematik VZ AR 531 2020 1 0301 0 |
| allfieldsGer |
10.1016/j.jnoncrysol.2019.119851 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000000944.pica (DE-627)ELV049673726 (ELSEVIER)S0022-3093(19)30721-5 DE-627 ger DE-627 rakwb eng 510 VZ 31.80 bkl 31.76 bkl Wang, Zhe verfasserin aut Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations 2020transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. Wen, Guanghua oth Liu, Qiang oth Huang, Shuheng oth Tang, Ping oth Yu, Liang oth Enthalten in Elsevier Science Schweiger, G. ELSEVIER Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms 2019 a journal on the chemical, electronic, optical and mechanical properties of glasses, amorphous semiconductors and metals, sol-gel materials, the liquid state of these solids and the processes by which they are formed Amsterdam [u.a.] (DE-627)ELV002959275 volume:531 year:2020 day:1 month:03 pages:0 https://doi.org/10.1016/j.jnoncrysol.2019.119851 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OPC-MAT 31.80 Angewandte Mathematik VZ 31.76 Numerische Mathematik VZ AR 531 2020 1 0301 0 |
| allfieldsSound |
10.1016/j.jnoncrysol.2019.119851 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000000944.pica (DE-627)ELV049673726 (ELSEVIER)S0022-3093(19)30721-5 DE-627 ger DE-627 rakwb eng 510 VZ 31.80 bkl 31.76 bkl Wang, Zhe verfasserin aut Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations 2020transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. Wen, Guanghua oth Liu, Qiang oth Huang, Shuheng oth Tang, Ping oth Yu, Liang oth Enthalten in Elsevier Science Schweiger, G. ELSEVIER Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms 2019 a journal on the chemical, electronic, optical and mechanical properties of glasses, amorphous semiconductors and metals, sol-gel materials, the liquid state of these solids and the processes by which they are formed Amsterdam [u.a.] (DE-627)ELV002959275 volume:531 year:2020 day:1 month:03 pages:0 https://doi.org/10.1016/j.jnoncrysol.2019.119851 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OPC-MAT 31.80 Angewandte Mathematik VZ 31.76 Numerische Mathematik VZ AR 531 2020 1 0301 0 |
| language |
English |
| source |
Enthalten in Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms Amsterdam [u.a.] volume:531 year:2020 day:1 month:03 pages:0 |
| sourceStr |
Enthalten in Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms Amsterdam [u.a.] volume:531 year:2020 day:1 month:03 pages:0 |
| format_phy_str_mv |
Article |
| bklname |
Angewandte Mathematik Numerische Mathematik |
| institution |
findex.gbv.de |
| dewey-raw |
510 |
| isfreeaccess_bool |
false |
| container_title |
Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms |
| authorswithroles_txt_mv |
Wang, Zhe @@aut@@ Wen, Guanghua @@oth@@ Liu, Qiang @@oth@@ Huang, Shuheng @@oth@@ Tang, Ping @@oth@@ Yu, Liang @@oth@@ |
| publishDateDaySort_date |
2020-01-01T00:00:00Z |
| hierarchy_top_id |
ELV002959275 |
| dewey-sort |
3510 |
| id |
ELV049673726 |
| language_de |
englisch |
| fullrecord |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">ELV049673726</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230626024916.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">200518s2020 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.jnoncrysol.2019.119851</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">/cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000000944.pica</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)ELV049673726</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(ELSEVIER)S0022-3093(19)30721-5</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">510</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">31.80</subfield><subfield code="2">bkl</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">31.76</subfield><subfield code="2">bkl</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Wang, Zhe</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2020transfer abstract</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zzz</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">z</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zu</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research.</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Wen, Guanghua</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Liu, Qiang</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Huang, Shuheng</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Tang, Ping</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Yu, Liang</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="n">Elsevier Science</subfield><subfield code="a">Schweiger, G. ELSEVIER</subfield><subfield code="t">Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms</subfield><subfield code="d">2019</subfield><subfield code="d">a journal on the chemical, electronic, optical and mechanical properties of glasses, amorphous semiconductors and metals, sol-gel materials, the liquid state of these solids and the processes by which they are formed</subfield><subfield code="g">Amsterdam [u.a.]</subfield><subfield code="w">(DE-627)ELV002959275</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:531</subfield><subfield code="g">year:2020</subfield><subfield code="g">day:1</subfield><subfield code="g">month:03</subfield><subfield code="g">pages:0</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.jnoncrysol.2019.119851</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OPC-MAT</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">31.80</subfield><subfield code="j">Angewandte Mathematik</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">31.76</subfield><subfield code="j">Numerische Mathematik</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">531</subfield><subfield code="j">2020</subfield><subfield code="b">1</subfield><subfield code="c">0301</subfield><subfield code="h">0</subfield></datafield></record></collection>
|
| author |
Wang, Zhe |
| spellingShingle |
Wang, Zhe ddc 510 bkl 31.80 bkl 31.76 Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations |
| authorStr |
Wang, Zhe |
| ppnlink_with_tag_str_mv |
@@773@@(DE-627)ELV002959275 |
| format |
electronic Article |
| dewey-ones |
510 - Mathematics |
| delete_txt_mv |
keep |
| author_role |
aut |
| collection |
elsevier |
| remote_str |
true |
| illustrated |
Not Illustrated |
| topic_title |
510 VZ 31.80 bkl 31.76 bkl Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations |
| topic |
ddc 510 bkl 31.80 bkl 31.76 |
| topic_unstemmed |
ddc 510 bkl 31.80 bkl 31.76 |
| topic_browse |
ddc 510 bkl 31.80 bkl 31.76 |
| format_facet |
Elektronische Aufsätze Aufsätze Elektronische Ressource |
| format_main_str_mv |
Text Zeitschrift/Artikel |
| carriertype_str_mv |
zu |
| author2_variant |
g w gw q l ql s h sh p t pt l y ly |
| hierarchy_parent_title |
Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms |
| hierarchy_parent_id |
ELV002959275 |
| dewey-tens |
510 - Mathematics |
| hierarchy_top_title |
Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms |
| isfreeaccess_txt |
false |
| familylinks_str_mv |
(DE-627)ELV002959275 |
| title |
Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations |
| ctrlnum |
(DE-627)ELV049673726 (ELSEVIER)S0022-3093(19)30721-5 |
| title_full |
Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations |
| author_sort |
Wang, Zhe |
| journal |
Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms |
| journalStr |
Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms |
| lang_code |
eng |
| isOA_bool |
false |
| dewey-hundreds |
500 - Science |
| recordtype |
marc |
| publishDateSort |
2020 |
| contenttype_str_mv |
zzz |
| container_start_page |
0 |
| author_browse |
Wang, Zhe |
| container_volume |
531 |
| class |
510 VZ 31.80 bkl 31.76 bkl |
| format_se |
Elektronische Aufsätze |
| author-letter |
Wang, Zhe |
| doi_str_mv |
10.1016/j.jnoncrysol.2019.119851 |
| dewey-full |
510 |
| title_sort |
estimating the thermal conductivity of cao–al2o3–sio2 slags by equilibrium molecular dynamics simulations |
| title_auth |
Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations |
| abstract |
The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. |
| abstractGer |
The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. |
| abstract_unstemmed |
The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research. |
| collection_details |
GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OPC-MAT |
| title_short |
Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations |
| url |
https://doi.org/10.1016/j.jnoncrysol.2019.119851 |
| remote_bool |
true |
| author2 |
Wen, Guanghua Liu, Qiang Huang, Shuheng Tang, Ping Yu, Liang |
| author2Str |
Wen, Guanghua Liu, Qiang Huang, Shuheng Tang, Ping Yu, Liang |
| ppnlink |
ELV002959275 |
| mediatype_str_mv |
z |
| isOA_txt |
false |
| hochschulschrift_bool |
false |
| author2_role |
oth oth oth oth oth |
| doi_str |
10.1016/j.jnoncrysol.2019.119851 |
| up_date |
2024-07-06T22:14:03.323Z |
| _version_ |
1803869532532506624 |
| fullrecord_marcxml |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">ELV049673726</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230626024916.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">200518s2020 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.jnoncrysol.2019.119851</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">/cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000000944.pica</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)ELV049673726</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(ELSEVIER)S0022-3093(19)30721-5</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">510</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">31.80</subfield><subfield code="2">bkl</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">31.76</subfield><subfield code="2">bkl</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Wang, Zhe</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Estimating the thermal conductivity of CaO–Al2O3–SiO2 slags by equilibrium molecular dynamics simulations</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2020transfer abstract</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zzz</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">z</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zu</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research.</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Wen, Guanghua</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Liu, Qiang</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Huang, Shuheng</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Tang, Ping</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Yu, Liang</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="n">Elsevier Science</subfield><subfield code="a">Schweiger, G. ELSEVIER</subfield><subfield code="t">Modeling and simulation of large-scale systems: A systematic comparison of modeling paradigms</subfield><subfield code="d">2019</subfield><subfield code="d">a journal on the chemical, electronic, optical and mechanical properties of glasses, amorphous semiconductors and metals, sol-gel materials, the liquid state of these solids and the processes by which they are formed</subfield><subfield code="g">Amsterdam [u.a.]</subfield><subfield code="w">(DE-627)ELV002959275</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:531</subfield><subfield code="g">year:2020</subfield><subfield code="g">day:1</subfield><subfield code="g">month:03</subfield><subfield code="g">pages:0</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.jnoncrysol.2019.119851</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OPC-MAT</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">31.80</subfield><subfield code="j">Angewandte Mathematik</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">31.76</subfield><subfield code="j">Numerische Mathematik</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">531</subfield><subfield code="j">2020</subfield><subfield code="b">1</subfield><subfield code="c">0301</subfield><subfield code="h">0</subfield></datafield></record></collection>
|
| score |
7.3993883 |