Understanding the effect of porosity on thermal properties of yttria-stabilized zirconia using molecular dynamics simulation
Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (...
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Gespeichert in:
| Autor*in: |
Wang, X.Z. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2016transfer abstract |
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| Umfang: |
6 |
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| Übergeordnetes Werk: |
Enthalten in: Application of a fuzzy-logic based model for risk assessment in additive manufacturing R&D projects - Moreno-Cabezali, Belen Maria ELSEVIER, 2020, an international journal devoted to fundamental aspects of structure, interactions and dynamic processes in simple, molecular and complex liquids, New York, NY [u.a.] |
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| Übergeordnetes Werk: |
volume:222 ; year:2016 ; pages:88-93 ; extent:6 |
| Links: |
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| DOI / URN: |
10.1016/j.molliq.2016.07.018 |
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| 245 | 1 | 0 | |a Understanding the effect of porosity on thermal properties of yttria-stabilized zirconia using molecular dynamics simulation |
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| 520 | |a Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. | ||
| 520 | |a Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. | ||
| 700 | 1 | |a Liu, X.Y. |4 oth | |
| 700 | 1 | |a Chen, Q.Y. |4 oth | |
| 700 | 1 | |a Huang, W. |4 oth | |
| 700 | 1 | |a Pilla, Srikanth |4 oth | |
| 700 | 1 | |a Liang, G.Y. |4 oth | |
| 773 | 0 | 8 | |i Enthalten in |n Elsevier |a Moreno-Cabezali, Belen Maria ELSEVIER |t Application of a fuzzy-logic based model for risk assessment in additive manufacturing R&D projects |d 2020 |d an international journal devoted to fundamental aspects of structure, interactions and dynamic processes in simple, molecular and complex liquids |g New York, NY [u.a.] |w (DE-627)ELV004280490 |
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10.1016/j.molliq.2016.07.018 doi GBVA2016004000021.pica (DE-627)ELV019102836 (ELSEVIER)S0167-7322(16)30200-8 DE-627 ger DE-627 rakwb eng 540 540 DE-600 004 VZ 85.35 bkl 54.80 bkl Wang, X.Z. verfasserin aut Understanding the effect of porosity on thermal properties of yttria-stabilized zirconia using molecular dynamics simulation 2016transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. Liu, X.Y. oth Chen, Q.Y. oth Huang, W. oth Pilla, Srikanth oth Liang, G.Y. oth Enthalten in Elsevier Moreno-Cabezali, Belen Maria ELSEVIER Application of a fuzzy-logic based model for risk assessment in additive manufacturing R&D projects 2020 an international journal devoted to fundamental aspects of structure, interactions and dynamic processes in simple, molecular and complex liquids New York, NY [u.a.] (DE-627)ELV004280490 volume:222 year:2016 pages:88-93 extent:6 https://doi.org/10.1016/j.molliq.2016.07.018 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 85.35 Fertigung VZ 54.80 Angewandte Informatik VZ AR 222 2016 88-93 6 045F 540 |
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10.1016/j.molliq.2016.07.018 doi GBVA2016004000021.pica (DE-627)ELV019102836 (ELSEVIER)S0167-7322(16)30200-8 DE-627 ger DE-627 rakwb eng 540 540 DE-600 004 VZ 85.35 bkl 54.80 bkl Wang, X.Z. verfasserin aut Understanding the effect of porosity on thermal properties of yttria-stabilized zirconia using molecular dynamics simulation 2016transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. Liu, X.Y. oth Chen, Q.Y. oth Huang, W. oth Pilla, Srikanth oth Liang, G.Y. oth Enthalten in Elsevier Moreno-Cabezali, Belen Maria ELSEVIER Application of a fuzzy-logic based model for risk assessment in additive manufacturing R&D projects 2020 an international journal devoted to fundamental aspects of structure, interactions and dynamic processes in simple, molecular and complex liquids New York, NY [u.a.] (DE-627)ELV004280490 volume:222 year:2016 pages:88-93 extent:6 https://doi.org/10.1016/j.molliq.2016.07.018 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 85.35 Fertigung VZ 54.80 Angewandte Informatik VZ AR 222 2016 88-93 6 045F 540 |
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10.1016/j.molliq.2016.07.018 doi GBVA2016004000021.pica (DE-627)ELV019102836 (ELSEVIER)S0167-7322(16)30200-8 DE-627 ger DE-627 rakwb eng 540 540 DE-600 004 VZ 85.35 bkl 54.80 bkl Wang, X.Z. verfasserin aut Understanding the effect of porosity on thermal properties of yttria-stabilized zirconia using molecular dynamics simulation 2016transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. Liu, X.Y. oth Chen, Q.Y. oth Huang, W. oth Pilla, Srikanth oth Liang, G.Y. oth Enthalten in Elsevier Moreno-Cabezali, Belen Maria ELSEVIER Application of a fuzzy-logic based model for risk assessment in additive manufacturing R&D projects 2020 an international journal devoted to fundamental aspects of structure, interactions and dynamic processes in simple, molecular and complex liquids New York, NY [u.a.] (DE-627)ELV004280490 volume:222 year:2016 pages:88-93 extent:6 https://doi.org/10.1016/j.molliq.2016.07.018 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 85.35 Fertigung VZ 54.80 Angewandte Informatik VZ AR 222 2016 88-93 6 045F 540 |
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10.1016/j.molliq.2016.07.018 doi GBVA2016004000021.pica (DE-627)ELV019102836 (ELSEVIER)S0167-7322(16)30200-8 DE-627 ger DE-627 rakwb eng 540 540 DE-600 004 VZ 85.35 bkl 54.80 bkl Wang, X.Z. verfasserin aut Understanding the effect of porosity on thermal properties of yttria-stabilized zirconia using molecular dynamics simulation 2016transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. Liu, X.Y. oth Chen, Q.Y. oth Huang, W. oth Pilla, Srikanth oth Liang, G.Y. oth Enthalten in Elsevier Moreno-Cabezali, Belen Maria ELSEVIER Application of a fuzzy-logic based model for risk assessment in additive manufacturing R&D projects 2020 an international journal devoted to fundamental aspects of structure, interactions and dynamic processes in simple, molecular and complex liquids New York, NY [u.a.] (DE-627)ELV004280490 volume:222 year:2016 pages:88-93 extent:6 https://doi.org/10.1016/j.molliq.2016.07.018 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 85.35 Fertigung VZ 54.80 Angewandte Informatik VZ AR 222 2016 88-93 6 045F 540 |
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10.1016/j.molliq.2016.07.018 doi GBVA2016004000021.pica (DE-627)ELV019102836 (ELSEVIER)S0167-7322(16)30200-8 DE-627 ger DE-627 rakwb eng 540 540 DE-600 004 VZ 85.35 bkl 54.80 bkl Wang, X.Z. verfasserin aut Understanding the effect of porosity on thermal properties of yttria-stabilized zirconia using molecular dynamics simulation 2016transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. Liu, X.Y. oth Chen, Q.Y. oth Huang, W. oth Pilla, Srikanth oth Liang, G.Y. oth Enthalten in Elsevier Moreno-Cabezali, Belen Maria ELSEVIER Application of a fuzzy-logic based model for risk assessment in additive manufacturing R&D projects 2020 an international journal devoted to fundamental aspects of structure, interactions and dynamic processes in simple, molecular and complex liquids New York, NY [u.a.] (DE-627)ELV004280490 volume:222 year:2016 pages:88-93 extent:6 https://doi.org/10.1016/j.molliq.2016.07.018 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 85.35 Fertigung VZ 54.80 Angewandte Informatik VZ AR 222 2016 88-93 6 045F 540 |
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Enthalten in Application of a fuzzy-logic based model for risk assessment in additive manufacturing R&D projects New York, NY [u.a.] volume:222 year:2016 pages:88-93 extent:6 |
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Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores.</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. 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understanding the effect of porosity on thermal properties of yttria-stabilized zirconia using molecular dynamics simulation |
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Understanding the effect of porosity on thermal properties of yttria-stabilized zirconia using molecular dynamics simulation |
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Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. |
| abstractGer |
Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. |
| abstract_unstemmed |
Thermal properties of yttria stabilized zirconia (YSZ) were investigated using molecular dynamics (MD) simulation. Several YSZ samples were designed to elucidate the effect of porosity on thermal conductivity of the designed YSZ systems. Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated. Results of MD simulation indicated the key role of pores in preventing thermal transport behavior. For same volume of a single pore, samples with larger pore volume showed smaller thermal conductivity (κ), while for same amount of total porosity, samples with small-sized pores displayed a smaller thermal conductivity. The latter was due to the presence of relatively larger number of smaller-sized pores as compared to larger-sized ones. Samples with smaller-sized pores in greater numbers also exhibited lower vibration frequency and lower amplitude of single atoms, suggesting smaller thermal conductivity (κ) values. For constant pore volume, YSZ samples were observed to have a decrease in thermal conductivity with increasing number of pores. Among YSZ samples with same levels of porosity, those with smaller pores displayed smaller thermal conductivity. Similar levels of thermal conductivity could be acquired in samples with smaller pore amounts and/or smaller porosity as compared to those with larger pores. |
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Understanding the effect of porosity on thermal properties of yttria-stabilized zirconia using molecular dynamics simulation |
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