On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study
Bulk nanocrystalline alloys usually possess enhanced properties than their coarse-grained counterparts. Here, first-principles calculations and aberration-corrected transmission electron microscope (TEM) were employed to investigate the atomic-scale deformation mechanism of Cu-based alloys. The effe...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Zhang, Yong [verfasserIn] Guo, Jinming [verfasserIn] Chen, Jianghua [verfasserIn] Wu, Cuilan [verfasserIn] Kormout, Karoline Sophie [verfasserIn] Ghosh, Pradipta [verfasserIn] Zhang, Zaoli [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2018 |
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| Schlagwörter: |
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| Übergeordnetes Werk: |
Enthalten in: Journal of alloys and compounds - Lausanne : Elsevier, 1991, 776, Seite 807-818 |
|---|---|
| Übergeordnetes Werk: |
volume:776 ; pages:807-818 |
| DOI / URN: |
10.1016/j.jallcom.2018.10.275 |
|---|
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ELV001262955 |
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| 245 | 1 | 0 | |a On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study |
| 264 | 1 | |c 2018 | |
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| 520 | |a Bulk nanocrystalline alloys usually possess enhanced properties than their coarse-grained counterparts. Here, first-principles calculations and aberration-corrected transmission electron microscope (TEM) were employed to investigate the atomic-scale deformation mechanism of Cu-based alloys. The effect of alloying element concentration and temperature-induced solute distribution on the unstable stacking fault energy (γusf), stable stacking fault energy (γisf) and unstable twin fault energy (γutf) were calculated using a Fermi–Dirac distribution of solutes for 42 binary Cu-X alloys. At medium temperature (>200 K) or low solute concentrations (<15 at.%), the stacking fault energies calculated from the Fermi–Dirac model accord well with the available experimental and theoretical results. The deformation mechanism was then evaluated by α = γisf/γusf and β = γutf/γusf, smaller α (β) favors an easier formability of extended dislocations (twins). Most subgroup VI-VIII metals in the periodic table can slightly increase the γusf, γisf and γutf of Cu, and have almost no influence on α and β. While main group and subgroup II-V elements can decrease γusf, γisf and γutf as well as the values of α and β. For alloying elements of Pd, Ag, Pt and Au, the values of α and β increase, suggesting a tendency of deformation mechanism from extended dislocations to full dislocations. Furthermore, high-resolution TEM (HRTEM) images of four representative nanocrystalline alloys (pure Cu, Cu-Fe, Cu-Ag and Cu-Zn) corroborates the prodiction with α and β as well as the empirical twinnability. The α and β remain almost the same as that of pure Cu when alloyed with Fe while they decrease with Zn, and the extended dislocations and twins were commonly observed for Cu, Cu-Fe and Cu-Zn. The α and β increased with Ag addition although the γisf decreased, and the extended dislocations were barely observed for Cu-Ag sample. The theoretical and microstructural correlation provides insights into the deformation mechanism of Cu-based alloys. | ||
| 650 | 4 | |a Nanocrystalline Cu alloys | |
| 650 | 4 | |a Stacking fault energy | |
| 650 | 4 | |a Deformation mechanism | |
| 650 | 4 | |a First-principles calculations | |
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| 700 | 1 | |a Guo, Jinming |e verfasserin |0 (orcid)0000-0003-2556-709X |4 aut | |
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| 700 | 1 | |a Ghosh, Pradipta |e verfasserin |4 aut | |
| 700 | 1 | |a Zhang, Zaoli |e verfasserin |0 (orcid)0000-0002-7717-2500 |4 aut | |
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10.1016/j.jallcom.2018.10.275 doi (DE-627)ELV001262955 (ELSEVIER)S0925-8388(18)33950-1 DE-627 ger DE-627 rda eng 670 540 DE-600 51.54 bkl 33.61 bkl 35.90 bkl Zhang, Yong verfasserin aut On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Bulk nanocrystalline alloys usually possess enhanced properties than their coarse-grained counterparts. Here, first-principles calculations and aberration-corrected transmission electron microscope (TEM) were employed to investigate the atomic-scale deformation mechanism of Cu-based alloys. The effect of alloying element concentration and temperature-induced solute distribution on the unstable stacking fault energy (γusf), stable stacking fault energy (γisf) and unstable twin fault energy (γutf) were calculated using a Fermi–Dirac distribution of solutes for 42 binary Cu-X alloys. At medium temperature (>200 K) or low solute concentrations (<15 at.%), the stacking fault energies calculated from the Fermi–Dirac model accord well with the available experimental and theoretical results. The deformation mechanism was then evaluated by α = γisf/γusf and β = γutf/γusf, smaller α (β) favors an easier formability of extended dislocations (twins). Most subgroup VI-VIII metals in the periodic table can slightly increase the γusf, γisf and γutf of Cu, and have almost no influence on α and β. While main group and subgroup II-V elements can decrease γusf, γisf and γutf as well as the values of α and β. For alloying elements of Pd, Ag, Pt and Au, the values of α and β increase, suggesting a tendency of deformation mechanism from extended dislocations to full dislocations. Furthermore, high-resolution TEM (HRTEM) images of four representative nanocrystalline alloys (pure Cu, Cu-Fe, Cu-Ag and Cu-Zn) corroborates the prodiction with α and β as well as the empirical twinnability. The α and β remain almost the same as that of pure Cu when alloyed with Fe while they decrease with Zn, and the extended dislocations and twins were commonly observed for Cu, Cu-Fe and Cu-Zn. The α and β increased with Ag addition although the γisf decreased, and the extended dislocations were barely observed for Cu-Ag sample. The theoretical and microstructural correlation provides insights into the deformation mechanism of Cu-based alloys. Nanocrystalline Cu alloys Stacking fault energy Deformation mechanism First-principles calculations HRTEM Guo, Jinming verfasserin (orcid)0000-0003-2556-709X aut Chen, Jianghua verfasserin aut Wu, Cuilan verfasserin (orcid)0000-0002-6478-7733 aut Kormout, Karoline Sophie verfasserin aut Ghosh, Pradipta verfasserin aut Zhang, Zaoli verfasserin (orcid)0000-0002-7717-2500 aut Enthalten in Journal of alloys and compounds Lausanne : Elsevier, 1991 776, Seite 807-818 Online-Ressource (DE-627)320504646 (DE-600)2012675-X (DE-576)098615009 nnns volume:776 pages:807-818 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2008 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 51.54 Nichteisenmetalle und ihre Legierungen 33.61 Festkörperphysik 35.90 Festkörperchemie AR 776 807-818 |
| spelling |
10.1016/j.jallcom.2018.10.275 doi (DE-627)ELV001262955 (ELSEVIER)S0925-8388(18)33950-1 DE-627 ger DE-627 rda eng 670 540 DE-600 51.54 bkl 33.61 bkl 35.90 bkl Zhang, Yong verfasserin aut On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Bulk nanocrystalline alloys usually possess enhanced properties than their coarse-grained counterparts. Here, first-principles calculations and aberration-corrected transmission electron microscope (TEM) were employed to investigate the atomic-scale deformation mechanism of Cu-based alloys. The effect of alloying element concentration and temperature-induced solute distribution on the unstable stacking fault energy (γusf), stable stacking fault energy (γisf) and unstable twin fault energy (γutf) were calculated using a Fermi–Dirac distribution of solutes for 42 binary Cu-X alloys. At medium temperature (>200 K) or low solute concentrations (<15 at.%), the stacking fault energies calculated from the Fermi–Dirac model accord well with the available experimental and theoretical results. The deformation mechanism was then evaluated by α = γisf/γusf and β = γutf/γusf, smaller α (β) favors an easier formability of extended dislocations (twins). Most subgroup VI-VIII metals in the periodic table can slightly increase the γusf, γisf and γutf of Cu, and have almost no influence on α and β. While main group and subgroup II-V elements can decrease γusf, γisf and γutf as well as the values of α and β. For alloying elements of Pd, Ag, Pt and Au, the values of α and β increase, suggesting a tendency of deformation mechanism from extended dislocations to full dislocations. Furthermore, high-resolution TEM (HRTEM) images of four representative nanocrystalline alloys (pure Cu, Cu-Fe, Cu-Ag and Cu-Zn) corroborates the prodiction with α and β as well as the empirical twinnability. The α and β remain almost the same as that of pure Cu when alloyed with Fe while they decrease with Zn, and the extended dislocations and twins were commonly observed for Cu, Cu-Fe and Cu-Zn. The α and β increased with Ag addition although the γisf decreased, and the extended dislocations were barely observed for Cu-Ag sample. The theoretical and microstructural correlation provides insights into the deformation mechanism of Cu-based alloys. Nanocrystalline Cu alloys Stacking fault energy Deformation mechanism First-principles calculations HRTEM Guo, Jinming verfasserin (orcid)0000-0003-2556-709X aut Chen, Jianghua verfasserin aut Wu, Cuilan verfasserin (orcid)0000-0002-6478-7733 aut Kormout, Karoline Sophie verfasserin aut Ghosh, Pradipta verfasserin aut Zhang, Zaoli verfasserin (orcid)0000-0002-7717-2500 aut Enthalten in Journal of alloys and compounds Lausanne : Elsevier, 1991 776, Seite 807-818 Online-Ressource (DE-627)320504646 (DE-600)2012675-X (DE-576)098615009 nnns volume:776 pages:807-818 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2008 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 51.54 Nichteisenmetalle und ihre Legierungen 33.61 Festkörperphysik 35.90 Festkörperchemie AR 776 807-818 |
| allfields_unstemmed |
10.1016/j.jallcom.2018.10.275 doi (DE-627)ELV001262955 (ELSEVIER)S0925-8388(18)33950-1 DE-627 ger DE-627 rda eng 670 540 DE-600 51.54 bkl 33.61 bkl 35.90 bkl Zhang, Yong verfasserin aut On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Bulk nanocrystalline alloys usually possess enhanced properties than their coarse-grained counterparts. Here, first-principles calculations and aberration-corrected transmission electron microscope (TEM) were employed to investigate the atomic-scale deformation mechanism of Cu-based alloys. The effect of alloying element concentration and temperature-induced solute distribution on the unstable stacking fault energy (γusf), stable stacking fault energy (γisf) and unstable twin fault energy (γutf) were calculated using a Fermi–Dirac distribution of solutes for 42 binary Cu-X alloys. At medium temperature (>200 K) or low solute concentrations (<15 at.%), the stacking fault energies calculated from the Fermi–Dirac model accord well with the available experimental and theoretical results. The deformation mechanism was then evaluated by α = γisf/γusf and β = γutf/γusf, smaller α (β) favors an easier formability of extended dislocations (twins). Most subgroup VI-VIII metals in the periodic table can slightly increase the γusf, γisf and γutf of Cu, and have almost no influence on α and β. While main group and subgroup II-V elements can decrease γusf, γisf and γutf as well as the values of α and β. For alloying elements of Pd, Ag, Pt and Au, the values of α and β increase, suggesting a tendency of deformation mechanism from extended dislocations to full dislocations. Furthermore, high-resolution TEM (HRTEM) images of four representative nanocrystalline alloys (pure Cu, Cu-Fe, Cu-Ag and Cu-Zn) corroborates the prodiction with α and β as well as the empirical twinnability. The α and β remain almost the same as that of pure Cu when alloyed with Fe while they decrease with Zn, and the extended dislocations and twins were commonly observed for Cu, Cu-Fe and Cu-Zn. The α and β increased with Ag addition although the γisf decreased, and the extended dislocations were barely observed for Cu-Ag sample. The theoretical and microstructural correlation provides insights into the deformation mechanism of Cu-based alloys. Nanocrystalline Cu alloys Stacking fault energy Deformation mechanism First-principles calculations HRTEM Guo, Jinming verfasserin (orcid)0000-0003-2556-709X aut Chen, Jianghua verfasserin aut Wu, Cuilan verfasserin (orcid)0000-0002-6478-7733 aut Kormout, Karoline Sophie verfasserin aut Ghosh, Pradipta verfasserin aut Zhang, Zaoli verfasserin (orcid)0000-0002-7717-2500 aut Enthalten in Journal of alloys and compounds Lausanne : Elsevier, 1991 776, Seite 807-818 Online-Ressource (DE-627)320504646 (DE-600)2012675-X (DE-576)098615009 nnns volume:776 pages:807-818 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2008 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 51.54 Nichteisenmetalle und ihre Legierungen 33.61 Festkörperphysik 35.90 Festkörperchemie AR 776 807-818 |
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10.1016/j.jallcom.2018.10.275 doi (DE-627)ELV001262955 (ELSEVIER)S0925-8388(18)33950-1 DE-627 ger DE-627 rda eng 670 540 DE-600 51.54 bkl 33.61 bkl 35.90 bkl Zhang, Yong verfasserin aut On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Bulk nanocrystalline alloys usually possess enhanced properties than their coarse-grained counterparts. Here, first-principles calculations and aberration-corrected transmission electron microscope (TEM) were employed to investigate the atomic-scale deformation mechanism of Cu-based alloys. The effect of alloying element concentration and temperature-induced solute distribution on the unstable stacking fault energy (γusf), stable stacking fault energy (γisf) and unstable twin fault energy (γutf) were calculated using a Fermi–Dirac distribution of solutes for 42 binary Cu-X alloys. At medium temperature (>200 K) or low solute concentrations (<15 at.%), the stacking fault energies calculated from the Fermi–Dirac model accord well with the available experimental and theoretical results. The deformation mechanism was then evaluated by α = γisf/γusf and β = γutf/γusf, smaller α (β) favors an easier formability of extended dislocations (twins). Most subgroup VI-VIII metals in the periodic table can slightly increase the γusf, γisf and γutf of Cu, and have almost no influence on α and β. While main group and subgroup II-V elements can decrease γusf, γisf and γutf as well as the values of α and β. For alloying elements of Pd, Ag, Pt and Au, the values of α and β increase, suggesting a tendency of deformation mechanism from extended dislocations to full dislocations. Furthermore, high-resolution TEM (HRTEM) images of four representative nanocrystalline alloys (pure Cu, Cu-Fe, Cu-Ag and Cu-Zn) corroborates the prodiction with α and β as well as the empirical twinnability. The α and β remain almost the same as that of pure Cu when alloyed with Fe while they decrease with Zn, and the extended dislocations and twins were commonly observed for Cu, Cu-Fe and Cu-Zn. The α and β increased with Ag addition although the γisf decreased, and the extended dislocations were barely observed for Cu-Ag sample. The theoretical and microstructural correlation provides insights into the deformation mechanism of Cu-based alloys. Nanocrystalline Cu alloys Stacking fault energy Deformation mechanism First-principles calculations HRTEM Guo, Jinming verfasserin (orcid)0000-0003-2556-709X aut Chen, Jianghua verfasserin aut Wu, Cuilan verfasserin (orcid)0000-0002-6478-7733 aut Kormout, Karoline Sophie verfasserin aut Ghosh, Pradipta verfasserin aut Zhang, Zaoli verfasserin (orcid)0000-0002-7717-2500 aut Enthalten in Journal of alloys and compounds Lausanne : Elsevier, 1991 776, Seite 807-818 Online-Ressource (DE-627)320504646 (DE-600)2012675-X (DE-576)098615009 nnns volume:776 pages:807-818 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2008 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 51.54 Nichteisenmetalle und ihre Legierungen 33.61 Festkörperphysik 35.90 Festkörperchemie AR 776 807-818 |
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10.1016/j.jallcom.2018.10.275 doi (DE-627)ELV001262955 (ELSEVIER)S0925-8388(18)33950-1 DE-627 ger DE-627 rda eng 670 540 DE-600 51.54 bkl 33.61 bkl 35.90 bkl Zhang, Yong verfasserin aut On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Bulk nanocrystalline alloys usually possess enhanced properties than their coarse-grained counterparts. Here, first-principles calculations and aberration-corrected transmission electron microscope (TEM) were employed to investigate the atomic-scale deformation mechanism of Cu-based alloys. The effect of alloying element concentration and temperature-induced solute distribution on the unstable stacking fault energy (γusf), stable stacking fault energy (γisf) and unstable twin fault energy (γutf) were calculated using a Fermi–Dirac distribution of solutes for 42 binary Cu-X alloys. At medium temperature (>200 K) or low solute concentrations (<15 at.%), the stacking fault energies calculated from the Fermi–Dirac model accord well with the available experimental and theoretical results. The deformation mechanism was then evaluated by α = γisf/γusf and β = γutf/γusf, smaller α (β) favors an easier formability of extended dislocations (twins). Most subgroup VI-VIII metals in the periodic table can slightly increase the γusf, γisf and γutf of Cu, and have almost no influence on α and β. While main group and subgroup II-V elements can decrease γusf, γisf and γutf as well as the values of α and β. For alloying elements of Pd, Ag, Pt and Au, the values of α and β increase, suggesting a tendency of deformation mechanism from extended dislocations to full dislocations. Furthermore, high-resolution TEM (HRTEM) images of four representative nanocrystalline alloys (pure Cu, Cu-Fe, Cu-Ag and Cu-Zn) corroborates the prodiction with α and β as well as the empirical twinnability. The α and β remain almost the same as that of pure Cu when alloyed with Fe while they decrease with Zn, and the extended dislocations and twins were commonly observed for Cu, Cu-Fe and Cu-Zn. The α and β increased with Ag addition although the γisf decreased, and the extended dislocations were barely observed for Cu-Ag sample. The theoretical and microstructural correlation provides insights into the deformation mechanism of Cu-based alloys. Nanocrystalline Cu alloys Stacking fault energy Deformation mechanism First-principles calculations HRTEM Guo, Jinming verfasserin (orcid)0000-0003-2556-709X aut Chen, Jianghua verfasserin aut Wu, Cuilan verfasserin (orcid)0000-0002-6478-7733 aut Kormout, Karoline Sophie verfasserin aut Ghosh, Pradipta verfasserin aut Zhang, Zaoli verfasserin (orcid)0000-0002-7717-2500 aut Enthalten in Journal of alloys and compounds Lausanne : Elsevier, 1991 776, Seite 807-818 Online-Ressource (DE-627)320504646 (DE-600)2012675-X (DE-576)098615009 nnns volume:776 pages:807-818 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2008 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 51.54 Nichteisenmetalle und ihre Legierungen 33.61 Festkörperphysik 35.90 Festkörperchemie AR 776 807-818 |
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Enthalten in Journal of alloys and compounds 776, Seite 807-818 volume:776 pages:807-818 |
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Nichteisenmetalle und ihre Legierungen Festkörperphysik Festkörperchemie |
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Nanocrystalline Cu alloys Stacking fault energy Deformation mechanism First-principles calculations HRTEM |
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Zhang, Yong @@aut@@ Guo, Jinming @@aut@@ Chen, Jianghua @@aut@@ Wu, Cuilan @@aut@@ Kormout, Karoline Sophie @@aut@@ Ghosh, Pradipta @@aut@@ Zhang, Zaoli @@aut@@ |
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Zhang, Yong |
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Zhang, Yong ddc 670 bkl 51.54 bkl 33.61 bkl 35.90 misc Nanocrystalline Cu alloys misc Stacking fault energy misc Deformation mechanism misc First-principles calculations misc HRTEM On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study |
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670 540 DE-600 51.54 bkl 33.61 bkl 35.90 bkl On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study Nanocrystalline Cu alloys Stacking fault energy Deformation mechanism First-principles calculations HRTEM |
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ddc 670 bkl 51.54 bkl 33.61 bkl 35.90 misc Nanocrystalline Cu alloys misc Stacking fault energy misc Deformation mechanism misc First-principles calculations misc HRTEM |
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ddc 670 bkl 51.54 bkl 33.61 bkl 35.90 misc Nanocrystalline Cu alloys misc Stacking fault energy misc Deformation mechanism misc First-principles calculations misc HRTEM |
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Zhang, Yong Guo, Jinming Chen, Jianghua Wu, Cuilan Kormout, Karoline Sophie Ghosh, Pradipta Zhang, Zaoli |
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on the stacking fault energy related deformation mechanism of nanocrystalline cu and cu alloys: a first-principles and tem study |
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On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study |
| abstract |
Bulk nanocrystalline alloys usually possess enhanced properties than their coarse-grained counterparts. Here, first-principles calculations and aberration-corrected transmission electron microscope (TEM) were employed to investigate the atomic-scale deformation mechanism of Cu-based alloys. The effect of alloying element concentration and temperature-induced solute distribution on the unstable stacking fault energy (γusf), stable stacking fault energy (γisf) and unstable twin fault energy (γutf) were calculated using a Fermi–Dirac distribution of solutes for 42 binary Cu-X alloys. At medium temperature (>200 K) or low solute concentrations (<15 at.%), the stacking fault energies calculated from the Fermi–Dirac model accord well with the available experimental and theoretical results. The deformation mechanism was then evaluated by α = γisf/γusf and β = γutf/γusf, smaller α (β) favors an easier formability of extended dislocations (twins). Most subgroup VI-VIII metals in the periodic table can slightly increase the γusf, γisf and γutf of Cu, and have almost no influence on α and β. While main group and subgroup II-V elements can decrease γusf, γisf and γutf as well as the values of α and β. For alloying elements of Pd, Ag, Pt and Au, the values of α and β increase, suggesting a tendency of deformation mechanism from extended dislocations to full dislocations. Furthermore, high-resolution TEM (HRTEM) images of four representative nanocrystalline alloys (pure Cu, Cu-Fe, Cu-Ag and Cu-Zn) corroborates the prodiction with α and β as well as the empirical twinnability. The α and β remain almost the same as that of pure Cu when alloyed with Fe while they decrease with Zn, and the extended dislocations and twins were commonly observed for Cu, Cu-Fe and Cu-Zn. The α and β increased with Ag addition although the γisf decreased, and the extended dislocations were barely observed for Cu-Ag sample. The theoretical and microstructural correlation provides insights into the deformation mechanism of Cu-based alloys. |
| abstractGer |
Bulk nanocrystalline alloys usually possess enhanced properties than their coarse-grained counterparts. Here, first-principles calculations and aberration-corrected transmission electron microscope (TEM) were employed to investigate the atomic-scale deformation mechanism of Cu-based alloys. The effect of alloying element concentration and temperature-induced solute distribution on the unstable stacking fault energy (γusf), stable stacking fault energy (γisf) and unstable twin fault energy (γutf) were calculated using a Fermi–Dirac distribution of solutes for 42 binary Cu-X alloys. At medium temperature (>200 K) or low solute concentrations (<15 at.%), the stacking fault energies calculated from the Fermi–Dirac model accord well with the available experimental and theoretical results. The deformation mechanism was then evaluated by α = γisf/γusf and β = γutf/γusf, smaller α (β) favors an easier formability of extended dislocations (twins). Most subgroup VI-VIII metals in the periodic table can slightly increase the γusf, γisf and γutf of Cu, and have almost no influence on α and β. While main group and subgroup II-V elements can decrease γusf, γisf and γutf as well as the values of α and β. For alloying elements of Pd, Ag, Pt and Au, the values of α and β increase, suggesting a tendency of deformation mechanism from extended dislocations to full dislocations. Furthermore, high-resolution TEM (HRTEM) images of four representative nanocrystalline alloys (pure Cu, Cu-Fe, Cu-Ag and Cu-Zn) corroborates the prodiction with α and β as well as the empirical twinnability. The α and β remain almost the same as that of pure Cu when alloyed with Fe while they decrease with Zn, and the extended dislocations and twins were commonly observed for Cu, Cu-Fe and Cu-Zn. The α and β increased with Ag addition although the γisf decreased, and the extended dislocations were barely observed for Cu-Ag sample. The theoretical and microstructural correlation provides insights into the deformation mechanism of Cu-based alloys. |
| abstract_unstemmed |
Bulk nanocrystalline alloys usually possess enhanced properties than their coarse-grained counterparts. Here, first-principles calculations and aberration-corrected transmission electron microscope (TEM) were employed to investigate the atomic-scale deformation mechanism of Cu-based alloys. The effect of alloying element concentration and temperature-induced solute distribution on the unstable stacking fault energy (γusf), stable stacking fault energy (γisf) and unstable twin fault energy (γutf) were calculated using a Fermi–Dirac distribution of solutes for 42 binary Cu-X alloys. At medium temperature (>200 K) or low solute concentrations (<15 at.%), the stacking fault energies calculated from the Fermi–Dirac model accord well with the available experimental and theoretical results. The deformation mechanism was then evaluated by α = γisf/γusf and β = γutf/γusf, smaller α (β) favors an easier formability of extended dislocations (twins). Most subgroup VI-VIII metals in the periodic table can slightly increase the γusf, γisf and γutf of Cu, and have almost no influence on α and β. While main group and subgroup II-V elements can decrease γusf, γisf and γutf as well as the values of α and β. For alloying elements of Pd, Ag, Pt and Au, the values of α and β increase, suggesting a tendency of deformation mechanism from extended dislocations to full dislocations. Furthermore, high-resolution TEM (HRTEM) images of four representative nanocrystalline alloys (pure Cu, Cu-Fe, Cu-Ag and Cu-Zn) corroborates the prodiction with α and β as well as the empirical twinnability. The α and β remain almost the same as that of pure Cu when alloyed with Fe while they decrease with Zn, and the extended dislocations and twins were commonly observed for Cu, Cu-Fe and Cu-Zn. The α and β increased with Ag addition although the γisf decreased, and the extended dislocations were barely observed for Cu-Ag sample. The theoretical and microstructural correlation provides insights into the deformation mechanism of Cu-based alloys. |
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Here, first-principles calculations and aberration-corrected transmission electron microscope (TEM) were employed to investigate the atomic-scale deformation mechanism of Cu-based alloys. The effect of alloying element concentration and temperature-induced solute distribution on the unstable stacking fault energy (γusf), stable stacking fault energy (γisf) and unstable twin fault energy (γutf) were calculated using a Fermi–Dirac distribution of solutes for 42 binary Cu-X alloys. At medium temperature (>200 K) or low solute concentrations (<15 at.%), the stacking fault energies calculated from the Fermi–Dirac model accord well with the available experimental and theoretical results. The deformation mechanism was then evaluated by α = γisf/γusf and β = γutf/γusf, smaller α (β) favors an easier formability of extended dislocations (twins). Most subgroup VI-VIII metals in the periodic table can slightly increase the γusf, γisf and γutf of Cu, and have almost no influence on α and β. While main group and subgroup II-V elements can decrease γusf, γisf and γutf as well as the values of α and β. For alloying elements of Pd, Ag, Pt and Au, the values of α and β increase, suggesting a tendency of deformation mechanism from extended dislocations to full dislocations. Furthermore, high-resolution TEM (HRTEM) images of four representative nanocrystalline alloys (pure Cu, Cu-Fe, Cu-Ag and Cu-Zn) corroborates the prodiction with α and β as well as the empirical twinnability. The α and β remain almost the same as that of pure Cu when alloyed with Fe while they decrease with Zn, and the extended dislocations and twins were commonly observed for Cu, Cu-Fe and Cu-Zn. The α and β increased with Ag addition although the γisf decreased, and the extended dislocations were barely observed for Cu-Ag sample. The theoretical and microstructural correlation provides insights into the deformation mechanism of Cu-based alloys.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Nanocrystalline Cu alloys</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Stacking fault energy</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Deformation mechanism</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">First-principles calculations</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">HRTEM</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Guo, Jinming</subfield><subfield code="e">verfasserin</subfield><subfield code="0">(orcid)0000-0003-2556-709X</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Chen, Jianghua</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Wu, Cuilan</subfield><subfield code="e">verfasserin</subfield><subfield code="0">(orcid)0000-0002-6478-7733</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Kormout, Karoline Sophie</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Ghosh, Pradipta</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Zhang, Zaoli</subfield><subfield code="e">verfasserin</subfield><subfield code="0">(orcid)0000-0002-7717-2500</subfield><subfield code="4">aut</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">Journal of alloys and 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