The Earth as a multiscale quantum-mechanical system
Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As in...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Richet, Pascal [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2014transfer abstract |
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| Schlagwörter: |
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| Umfang: |
9 |
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| Übergeordnetes Werk: |
Enthalten in: Communication of MRSA Status Upon Transfers of LTCF Residents to an Acute Care Hospital - 2012, Paris |
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| Übergeordnetes Werk: |
volume:346 ; year:2014 ; number:11 ; pages:317-325 ; extent:9 |
| Links: |
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| DOI / URN: |
10.1016/j.crte.2014.09.003 |
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ELV039277461 |
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| 520 | |a Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. | ||
| 520 | |a Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. | ||
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10.1016/j.crte.2014.09.003 doi GBVA2014007000015.pica (DE-627)ELV039277461 (ELSEVIER)S1631-0713(14)00114-X DE-627 ger DE-627 rakwb eng 550 910 550 DE-600 910 DE-600 610 VZ 540 VZ 35.18 bkl Richet, Pascal verfasserin aut The Earth as a multiscale quantum-mechanical system 2014transfer abstract 9 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. Noble gas solubility Elsevier ab initio calculations Elsevier SiO2 polymorphs Elsevier Aluminum charge compensation Elsevier Magmatic differentiation Elsevier Silicon-oxygen bonding Elsevier Ottonello, Giulio oth Enthalten in Elsevier Communication of MRSA Status Upon Transfers of LTCF Residents to an Acute Care Hospital 2012 Paris (DE-627)ELV026358905 volume:346 year:2014 number:11 pages:317-325 extent:9 https://doi.org/10.1016/j.crte.2014.09.003 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 35.18 Kolloidchemie Grenzflächenchemie VZ AR 346 2014 11 317-325 9 045F 550 |
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10.1016/j.crte.2014.09.003 doi GBVA2014007000015.pica (DE-627)ELV039277461 (ELSEVIER)S1631-0713(14)00114-X DE-627 ger DE-627 rakwb eng 550 910 550 DE-600 910 DE-600 610 VZ 540 VZ 35.18 bkl Richet, Pascal verfasserin aut The Earth as a multiscale quantum-mechanical system 2014transfer abstract 9 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. Noble gas solubility Elsevier ab initio calculations Elsevier SiO2 polymorphs Elsevier Aluminum charge compensation Elsevier Magmatic differentiation Elsevier Silicon-oxygen bonding Elsevier Ottonello, Giulio oth Enthalten in Elsevier Communication of MRSA Status Upon Transfers of LTCF Residents to an Acute Care Hospital 2012 Paris (DE-627)ELV026358905 volume:346 year:2014 number:11 pages:317-325 extent:9 https://doi.org/10.1016/j.crte.2014.09.003 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 35.18 Kolloidchemie Grenzflächenchemie VZ AR 346 2014 11 317-325 9 045F 550 |
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10.1016/j.crte.2014.09.003 doi GBVA2014007000015.pica (DE-627)ELV039277461 (ELSEVIER)S1631-0713(14)00114-X DE-627 ger DE-627 rakwb eng 550 910 550 DE-600 910 DE-600 610 VZ 540 VZ 35.18 bkl Richet, Pascal verfasserin aut The Earth as a multiscale quantum-mechanical system 2014transfer abstract 9 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. Noble gas solubility Elsevier ab initio calculations Elsevier SiO2 polymorphs Elsevier Aluminum charge compensation Elsevier Magmatic differentiation Elsevier Silicon-oxygen bonding Elsevier Ottonello, Giulio oth Enthalten in Elsevier Communication of MRSA Status Upon Transfers of LTCF Residents to an Acute Care Hospital 2012 Paris (DE-627)ELV026358905 volume:346 year:2014 number:11 pages:317-325 extent:9 https://doi.org/10.1016/j.crte.2014.09.003 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 35.18 Kolloidchemie Grenzflächenchemie VZ AR 346 2014 11 317-325 9 045F 550 |
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10.1016/j.crte.2014.09.003 doi GBVA2014007000015.pica (DE-627)ELV039277461 (ELSEVIER)S1631-0713(14)00114-X DE-627 ger DE-627 rakwb eng 550 910 550 DE-600 910 DE-600 610 VZ 540 VZ 35.18 bkl Richet, Pascal verfasserin aut The Earth as a multiscale quantum-mechanical system 2014transfer abstract 9 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. Noble gas solubility Elsevier ab initio calculations Elsevier SiO2 polymorphs Elsevier Aluminum charge compensation Elsevier Magmatic differentiation Elsevier Silicon-oxygen bonding Elsevier Ottonello, Giulio oth Enthalten in Elsevier Communication of MRSA Status Upon Transfers of LTCF Residents to an Acute Care Hospital 2012 Paris (DE-627)ELV026358905 volume:346 year:2014 number:11 pages:317-325 extent:9 https://doi.org/10.1016/j.crte.2014.09.003 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 35.18 Kolloidchemie Grenzflächenchemie VZ AR 346 2014 11 317-325 9 045F 550 |
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10.1016/j.crte.2014.09.003 doi GBVA2014007000015.pica (DE-627)ELV039277461 (ELSEVIER)S1631-0713(14)00114-X DE-627 ger DE-627 rakwb eng 550 910 550 DE-600 910 DE-600 610 VZ 540 VZ 35.18 bkl Richet, Pascal verfasserin aut The Earth as a multiscale quantum-mechanical system 2014transfer abstract 9 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. Noble gas solubility Elsevier ab initio calculations Elsevier SiO2 polymorphs Elsevier Aluminum charge compensation Elsevier Magmatic differentiation Elsevier Silicon-oxygen bonding Elsevier Ottonello, Giulio oth Enthalten in Elsevier Communication of MRSA Status Upon Transfers of LTCF Residents to an Acute Care Hospital 2012 Paris (DE-627)ELV026358905 volume:346 year:2014 number:11 pages:317-325 extent:9 https://doi.org/10.1016/j.crte.2014.09.003 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 35.18 Kolloidchemie Grenzflächenchemie VZ AR 346 2014 11 317-325 9 045F 550 |
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Richet, Pascal |
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Communication of MRSA Status Upon Transfers of LTCF Residents to an Acute Care Hospital |
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Communication of MRSA Status Upon Transfers of LTCF Residents to an Acute Care Hospital |
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Communication of MRSA Status Upon Transfers of LTCF Residents to an Acute Care Hospital |
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earth as a multiscale quantum-mechanical system |
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The Earth as a multiscale quantum-mechanical system |
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Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. |
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Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. |
| abstract_unstemmed |
Major features of the Earth's structure and dynamics originate in the contrast between the rigidity of SiO bonds and the softness of SiOSi linkages. Because this contrast results from orbital hybridization, a real understanding of bonding relies on ab initio quantum-mechanical principles. As investigated with first-principles interatomic potentials, the α–β transitions of SiO2 polymorphs illustrate how soft SiOSi linkages give rise to dynamical structures at rather low temperatures and yield the low melting temperatures of SiO2-rich minerals that are at the roots of SiO2 enrichment in magmatic differentiation. The increasing concentration of alkalis throughout this process is another aspect that must also be studied in terms of molecular orbitals in relation with the presence of aluminum in tetrahedral coordination. Finally, calculations of noble gas solubility show that some important features can be treated with “hybrid” calculations when, in addition to quantum-mechanical effects, the energy needed to create a cavity in the silicate melt is dealt with in a classical manner. |
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The Earth as a multiscale quantum-mechanical system |
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