Ab Initio studies of the electronic structure and energetics of bulk amorphous metals
Abstract Bulk amorphous metals (BAMs) are an interesting class of new materials possessing unique properties that offer exciting possibilities for applications to a broad range of technologies. In contrast to the previous generation of amorphous metals, BAMs can be produced in bulk form at cooling r...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Nicholson, D. M. C. [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
1998 |
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| Schlagwörter: |
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| Anmerkung: |
© ASM International & TMS-The Minerals, Metals and Materials Society 1998 |
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| Übergeordnetes Werk: |
Enthalten in: Metallurgical and materials transactions / A - Springer-Verlag, 1994, 29(1998), 7 vom: Juli, Seite 1845-1851 |
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| Übergeordnetes Werk: |
volume:29 ; year:1998 ; number:7 ; month:07 ; pages:1845-1851 |
| Links: |
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| DOI / URN: |
10.1007/s11661-998-0009-1 |
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| Katalog-ID: |
OLC2053995572 |
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| 245 | 1 | 0 | |a Ab Initio studies of the electronic structure and energetics of bulk amorphous metals |
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| 520 | |a Abstract Bulk amorphous metals (BAMs) are an interesting class of new materials possessing unique properties that offer exciting possibilities for applications to a broad range of technologies. In contrast to the previous generation of amorphous metals, BAMs can be produced in bulk form at cooling rates as low as ∼1 K/s. The understanding of the structure, properties, and required cooling rates for BAM formation is hindered by the large number of constituents in typical alloys. In this article, we present the results of first principles local density approximation studies of the electronic structure and energetics of model Ni-Pd-P, Zr-Ni-Cu, and Zr-Ni-Al amorphous alloys that relate to two of the simplest BAMs, namely, $ Ni_{0.4} $$ Pd_{0.4} $$ P_{0.2} $ and $ Zr_{0.6} $$ Al_{0.15} $$ Ni_{0.25} $. The calculations are based on large unit cell (∼300-atom) structural models for which the electronic structure is calculated using the first principles order-N locally self-consistent multiple scattering method. | ||
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10.1007/s11661-998-0009-1 doi (DE-627)OLC2053995572 (DE-He213)s11661-998-0009-1-p DE-627 ger DE-627 rakwb eng 670 530 VZ 19,1 ssgn Nicholson, D. M. C. verfasserin aut Ab Initio studies of the electronic structure and energetics of bulk amorphous metals 1998 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © ASM International & TMS-The Minerals, Metals and Materials Society 1998 Abstract Bulk amorphous metals (BAMs) are an interesting class of new materials possessing unique properties that offer exciting possibilities for applications to a broad range of technologies. In contrast to the previous generation of amorphous metals, BAMs can be produced in bulk form at cooling rates as low as ∼1 K/s. The understanding of the structure, properties, and required cooling rates for BAM formation is hindered by the large number of constituents in typical alloys. In this article, we present the results of first principles local density approximation studies of the electronic structure and energetics of model Ni-Pd-P, Zr-Ni-Cu, and Zr-Ni-Al amorphous alloys that relate to two of the simplest BAMs, namely, $ Ni_{0.4} $$ Pd_{0.4} $$ P_{0.2} $ and $ Zr_{0.6} $$ Al_{0.15} $$ Ni_{0.25} $. The calculations are based on large unit cell (∼300-atom) structural models for which the electronic structure is calculated using the first principles order-N locally self-consistent multiple scattering method. Material Transaction Amorphous Phase Amorphous Alloy Amorphous Metal Effective Medium Approximation Stocks, G. M. aut Shelton, W. A. aut Wang, Yang aut Swihart, J. C. aut Enthalten in Metallurgical and materials transactions / A Springer-Verlag, 1994 29(1998), 7 vom: Juli, Seite 1845-1851 (DE-627)171342011 (DE-600)1179415-X (DE-576)038876930 1073-5623 nnns volume:29 year:1998 number:7 month:07 pages:1845-1851 https://doi.org/10.1007/s11661-998-0009-1 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY GBV_ILN_11 GBV_ILN_20 GBV_ILN_23 GBV_ILN_30 GBV_ILN_31 GBV_ILN_62 GBV_ILN_70 GBV_ILN_2004 GBV_ILN_2006 GBV_ILN_2016 GBV_ILN_2020 GBV_ILN_2027 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4316 GBV_ILN_4319 GBV_ILN_4700 AR 29 1998 7 07 1845-1851 |
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10.1007/s11661-998-0009-1 doi (DE-627)OLC2053995572 (DE-He213)s11661-998-0009-1-p DE-627 ger DE-627 rakwb eng 670 530 VZ 19,1 ssgn Nicholson, D. M. C. verfasserin aut Ab Initio studies of the electronic structure and energetics of bulk amorphous metals 1998 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © ASM International & TMS-The Minerals, Metals and Materials Society 1998 Abstract Bulk amorphous metals (BAMs) are an interesting class of new materials possessing unique properties that offer exciting possibilities for applications to a broad range of technologies. In contrast to the previous generation of amorphous metals, BAMs can be produced in bulk form at cooling rates as low as ∼1 K/s. The understanding of the structure, properties, and required cooling rates for BAM formation is hindered by the large number of constituents in typical alloys. In this article, we present the results of first principles local density approximation studies of the electronic structure and energetics of model Ni-Pd-P, Zr-Ni-Cu, and Zr-Ni-Al amorphous alloys that relate to two of the simplest BAMs, namely, $ Ni_{0.4} $$ Pd_{0.4} $$ P_{0.2} $ and $ Zr_{0.6} $$ Al_{0.15} $$ Ni_{0.25} $. The calculations are based on large unit cell (∼300-atom) structural models for which the electronic structure is calculated using the first principles order-N locally self-consistent multiple scattering method. Material Transaction Amorphous Phase Amorphous Alloy Amorphous Metal Effective Medium Approximation Stocks, G. M. aut Shelton, W. A. aut Wang, Yang aut Swihart, J. C. aut Enthalten in Metallurgical and materials transactions / A Springer-Verlag, 1994 29(1998), 7 vom: Juli, Seite 1845-1851 (DE-627)171342011 (DE-600)1179415-X (DE-576)038876930 1073-5623 nnns volume:29 year:1998 number:7 month:07 pages:1845-1851 https://doi.org/10.1007/s11661-998-0009-1 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY GBV_ILN_11 GBV_ILN_20 GBV_ILN_23 GBV_ILN_30 GBV_ILN_31 GBV_ILN_62 GBV_ILN_70 GBV_ILN_2004 GBV_ILN_2006 GBV_ILN_2016 GBV_ILN_2020 GBV_ILN_2027 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4316 GBV_ILN_4319 GBV_ILN_4700 AR 29 1998 7 07 1845-1851 |
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10.1007/s11661-998-0009-1 doi (DE-627)OLC2053995572 (DE-He213)s11661-998-0009-1-p DE-627 ger DE-627 rakwb eng 670 530 VZ 19,1 ssgn Nicholson, D. M. C. verfasserin aut Ab Initio studies of the electronic structure and energetics of bulk amorphous metals 1998 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © ASM International & TMS-The Minerals, Metals and Materials Society 1998 Abstract Bulk amorphous metals (BAMs) are an interesting class of new materials possessing unique properties that offer exciting possibilities for applications to a broad range of technologies. In contrast to the previous generation of amorphous metals, BAMs can be produced in bulk form at cooling rates as low as ∼1 K/s. The understanding of the structure, properties, and required cooling rates for BAM formation is hindered by the large number of constituents in typical alloys. In this article, we present the results of first principles local density approximation studies of the electronic structure and energetics of model Ni-Pd-P, Zr-Ni-Cu, and Zr-Ni-Al amorphous alloys that relate to two of the simplest BAMs, namely, $ Ni_{0.4} $$ Pd_{0.4} $$ P_{0.2} $ and $ Zr_{0.6} $$ Al_{0.15} $$ Ni_{0.25} $. The calculations are based on large unit cell (∼300-atom) structural models for which the electronic structure is calculated using the first principles order-N locally self-consistent multiple scattering method. Material Transaction Amorphous Phase Amorphous Alloy Amorphous Metal Effective Medium Approximation Stocks, G. M. aut Shelton, W. A. aut Wang, Yang aut Swihart, J. C. aut Enthalten in Metallurgical and materials transactions / A Springer-Verlag, 1994 29(1998), 7 vom: Juli, Seite 1845-1851 (DE-627)171342011 (DE-600)1179415-X (DE-576)038876930 1073-5623 nnns volume:29 year:1998 number:7 month:07 pages:1845-1851 https://doi.org/10.1007/s11661-998-0009-1 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY GBV_ILN_11 GBV_ILN_20 GBV_ILN_23 GBV_ILN_30 GBV_ILN_31 GBV_ILN_62 GBV_ILN_70 GBV_ILN_2004 GBV_ILN_2006 GBV_ILN_2016 GBV_ILN_2020 GBV_ILN_2027 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4316 GBV_ILN_4319 GBV_ILN_4700 AR 29 1998 7 07 1845-1851 |
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10.1007/s11661-998-0009-1 doi (DE-627)OLC2053995572 (DE-He213)s11661-998-0009-1-p DE-627 ger DE-627 rakwb eng 670 530 VZ 19,1 ssgn Nicholson, D. M. C. verfasserin aut Ab Initio studies of the electronic structure and energetics of bulk amorphous metals 1998 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © ASM International & TMS-The Minerals, Metals and Materials Society 1998 Abstract Bulk amorphous metals (BAMs) are an interesting class of new materials possessing unique properties that offer exciting possibilities for applications to a broad range of technologies. In contrast to the previous generation of amorphous metals, BAMs can be produced in bulk form at cooling rates as low as ∼1 K/s. The understanding of the structure, properties, and required cooling rates for BAM formation is hindered by the large number of constituents in typical alloys. In this article, we present the results of first principles local density approximation studies of the electronic structure and energetics of model Ni-Pd-P, Zr-Ni-Cu, and Zr-Ni-Al amorphous alloys that relate to two of the simplest BAMs, namely, $ Ni_{0.4} $$ Pd_{0.4} $$ P_{0.2} $ and $ Zr_{0.6} $$ Al_{0.15} $$ Ni_{0.25} $. The calculations are based on large unit cell (∼300-atom) structural models for which the electronic structure is calculated using the first principles order-N locally self-consistent multiple scattering method. Material Transaction Amorphous Phase Amorphous Alloy Amorphous Metal Effective Medium Approximation Stocks, G. M. aut Shelton, W. A. aut Wang, Yang aut Swihart, J. C. aut Enthalten in Metallurgical and materials transactions / A Springer-Verlag, 1994 29(1998), 7 vom: Juli, Seite 1845-1851 (DE-627)171342011 (DE-600)1179415-X (DE-576)038876930 1073-5623 nnns volume:29 year:1998 number:7 month:07 pages:1845-1851 https://doi.org/10.1007/s11661-998-0009-1 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY GBV_ILN_11 GBV_ILN_20 GBV_ILN_23 GBV_ILN_30 GBV_ILN_31 GBV_ILN_62 GBV_ILN_70 GBV_ILN_2004 GBV_ILN_2006 GBV_ILN_2016 GBV_ILN_2020 GBV_ILN_2027 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4316 GBV_ILN_4319 GBV_ILN_4700 AR 29 1998 7 07 1845-1851 |
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10.1007/s11661-998-0009-1 doi (DE-627)OLC2053995572 (DE-He213)s11661-998-0009-1-p DE-627 ger DE-627 rakwb eng 670 530 VZ 19,1 ssgn Nicholson, D. M. C. verfasserin aut Ab Initio studies of the electronic structure and energetics of bulk amorphous metals 1998 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © ASM International & TMS-The Minerals, Metals and Materials Society 1998 Abstract Bulk amorphous metals (BAMs) are an interesting class of new materials possessing unique properties that offer exciting possibilities for applications to a broad range of technologies. In contrast to the previous generation of amorphous metals, BAMs can be produced in bulk form at cooling rates as low as ∼1 K/s. The understanding of the structure, properties, and required cooling rates for BAM formation is hindered by the large number of constituents in typical alloys. In this article, we present the results of first principles local density approximation studies of the electronic structure and energetics of model Ni-Pd-P, Zr-Ni-Cu, and Zr-Ni-Al amorphous alloys that relate to two of the simplest BAMs, namely, $ Ni_{0.4} $$ Pd_{0.4} $$ P_{0.2} $ and $ Zr_{0.6} $$ Al_{0.15} $$ Ni_{0.25} $. The calculations are based on large unit cell (∼300-atom) structural models for which the electronic structure is calculated using the first principles order-N locally self-consistent multiple scattering method. Material Transaction Amorphous Phase Amorphous Alloy Amorphous Metal Effective Medium Approximation Stocks, G. M. aut Shelton, W. A. aut Wang, Yang aut Swihart, J. C. aut Enthalten in Metallurgical and materials transactions / A Springer-Verlag, 1994 29(1998), 7 vom: Juli, Seite 1845-1851 (DE-627)171342011 (DE-600)1179415-X (DE-576)038876930 1073-5623 nnns volume:29 year:1998 number:7 month:07 pages:1845-1851 https://doi.org/10.1007/s11661-998-0009-1 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY GBV_ILN_11 GBV_ILN_20 GBV_ILN_23 GBV_ILN_30 GBV_ILN_31 GBV_ILN_62 GBV_ILN_70 GBV_ILN_2004 GBV_ILN_2006 GBV_ILN_2016 GBV_ILN_2020 GBV_ILN_2027 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4316 GBV_ILN_4319 GBV_ILN_4700 AR 29 1998 7 07 1845-1851 |
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ab initio studies of the electronic structure and energetics of bulk amorphous metals |
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Ab Initio studies of the electronic structure and energetics of bulk amorphous metals |
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Abstract Bulk amorphous metals (BAMs) are an interesting class of new materials possessing unique properties that offer exciting possibilities for applications to a broad range of technologies. In contrast to the previous generation of amorphous metals, BAMs can be produced in bulk form at cooling rates as low as ∼1 K/s. The understanding of the structure, properties, and required cooling rates for BAM formation is hindered by the large number of constituents in typical alloys. In this article, we present the results of first principles local density approximation studies of the electronic structure and energetics of model Ni-Pd-P, Zr-Ni-Cu, and Zr-Ni-Al amorphous alloys that relate to two of the simplest BAMs, namely, $ Ni_{0.4} $$ Pd_{0.4} $$ P_{0.2} $ and $ Zr_{0.6} $$ Al_{0.15} $$ Ni_{0.25} $. The calculations are based on large unit cell (∼300-atom) structural models for which the electronic structure is calculated using the first principles order-N locally self-consistent multiple scattering method. © ASM International & TMS-The Minerals, Metals and Materials Society 1998 |
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Abstract Bulk amorphous metals (BAMs) are an interesting class of new materials possessing unique properties that offer exciting possibilities for applications to a broad range of technologies. In contrast to the previous generation of amorphous metals, BAMs can be produced in bulk form at cooling rates as low as ∼1 K/s. The understanding of the structure, properties, and required cooling rates for BAM formation is hindered by the large number of constituents in typical alloys. In this article, we present the results of first principles local density approximation studies of the electronic structure and energetics of model Ni-Pd-P, Zr-Ni-Cu, and Zr-Ni-Al amorphous alloys that relate to two of the simplest BAMs, namely, $ Ni_{0.4} $$ Pd_{0.4} $$ P_{0.2} $ and $ Zr_{0.6} $$ Al_{0.15} $$ Ni_{0.25} $. The calculations are based on large unit cell (∼300-atom) structural models for which the electronic structure is calculated using the first principles order-N locally self-consistent multiple scattering method. © ASM International & TMS-The Minerals, Metals and Materials Society 1998 |
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Abstract Bulk amorphous metals (BAMs) are an interesting class of new materials possessing unique properties that offer exciting possibilities for applications to a broad range of technologies. In contrast to the previous generation of amorphous metals, BAMs can be produced in bulk form at cooling rates as low as ∼1 K/s. The understanding of the structure, properties, and required cooling rates for BAM formation is hindered by the large number of constituents in typical alloys. In this article, we present the results of first principles local density approximation studies of the electronic structure and energetics of model Ni-Pd-P, Zr-Ni-Cu, and Zr-Ni-Al amorphous alloys that relate to two of the simplest BAMs, namely, $ Ni_{0.4} $$ Pd_{0.4} $$ P_{0.2} $ and $ Zr_{0.6} $$ Al_{0.15} $$ Ni_{0.25} $. The calculations are based on large unit cell (∼300-atom) structural models for which the electronic structure is calculated using the first principles order-N locally self-consistent multiple scattering method. © ASM International & TMS-The Minerals, Metals and Materials Society 1998 |
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