A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates

Application of classical density functional theory in cylindrical coordinates requires a fast Hankel transform algorithm of order zero and its inverse, when the involved convolution integrals are solved in Fourier space. Vector-valued fundamental measure theory requires a fast Hankel transform of fi...
Ausführliche Beschreibung

Gespeichert in:

Autor*in:	Stierle, Rolf [verfasserIn] Gross, Joachim [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2020

Schlagwörter:	Density functional theory Fundamental measure theory PC-SAFT Fast Fourier transform Fast Hankel transform Fast sine transform Fast cosine transform

Übergeordnetes Werk:	Enthalten in: Fluid phase equilibria - New York, NY [u.a.] : Science Direct, 1977, 511
Übergeordnetes Werk:	volume:511

DOI / URN:	10.1016/j.fluid.2020.112500

Katalog-ID:	ELV003740145

Internformat


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100	1		\|a Stierle, Rolf \|e verfasserin \|4 aut
245	1	0	\|a A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates
264		1	\|c 2020
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520			\|a Application of classical density functional theory in cylindrical coordinates requires a fast Hankel transform algorithm of order zero and its inverse, when the involved convolution integrals are solved in Fourier space. Vector-valued fundamental measure theory requires a fast Hankel transform of first order and its inverse. Compared to naïve real space convolution, this not only reduces complexity of the required computer code, but also increases computational performance due to the efficiency of the fast Hankel transform. This study proposes a new approach to compute the inverse of the first order fast Hankel transform on equidistant grids as a combination of a modified inverse Abel transform and a fast sine transform. Equidistant grids have a significant advantage over alternative implementations that require logarithmic grid spacing, since most problems, such as pores or droplets, require a certain resolution in the outer region of the radial domain, which in the case of a logarithmic grid necessitates an overly high number of grid points in the inner region of the radial domain. The proposed algorithm for the modified inverse Abel transform is straightforward to implement, while for the fast sine transform off-the-shelf algorithms can be used.
650		4	\|a Density functional theory
650		4	\|a Fundamental measure theory
650		4	\|a PC-SAFT
650		4	\|a Fast Fourier transform
650		4	\|a Fast Hankel transform
650		4	\|a Fast sine transform
650		4	\|a Fast cosine transform
700	1		\|a Gross, Joachim \|e verfasserin \|4 aut
773	0	8	\|i Enthalten in \|t Fluid phase equilibria \|d New York, NY [u.a.] : Science Direct, 1977 \|g 511 \|h Online-Ressource \|w (DE-627)300897790 \|w (DE-600)1483573-3 \|w (DE-576)096188596 \|x 0378-3812 \|7 nnns
773	1	8	\|g volume:511
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936	b	k	\|a 58.00 \|j Chemische Technik: Allgemeines
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952			\|d 511

Indexfelder

author_variant	r s rs j g jg
matchkey_str	article:03783812:2020----::fsivreaklrnfrofrtrefroptnvcovlewihfntospernifnaetle
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publishDate	2020
allfields	10.1016/j.fluid.2020.112500 doi (DE-627)ELV003740145 (ELSEVIER)S0378-3812(20)30046-7 DE-627 ger DE-627 rda eng 660 540 DE-600 58.00 bkl Stierle, Rolf verfasserin aut A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Application of classical density functional theory in cylindrical coordinates requires a fast Hankel transform algorithm of order zero and its inverse, when the involved convolution integrals are solved in Fourier space. Vector-valued fundamental measure theory requires a fast Hankel transform of first order and its inverse. Compared to naïve real space convolution, this not only reduces complexity of the required computer code, but also increases computational performance due to the efficiency of the fast Hankel transform. This study proposes a new approach to compute the inverse of the first order fast Hankel transform on equidistant grids as a combination of a modified inverse Abel transform and a fast sine transform. Equidistant grids have a significant advantage over alternative implementations that require logarithmic grid spacing, since most problems, such as pores or droplets, require a certain resolution in the outer region of the radial domain, which in the case of a logarithmic grid necessitates an overly high number of grid points in the inner region of the radial domain. The proposed algorithm for the modified inverse Abel transform is straightforward to implement, while for the fast sine transform off-the-shelf algorithms can be used. Density functional theory Fundamental measure theory PC-SAFT Fast Fourier transform Fast Hankel transform Fast sine transform Fast cosine transform Gross, Joachim verfasserin aut Enthalten in Fluid phase equilibria New York, NY [u.a.] : Science Direct, 1977 511 Online-Ressource (DE-627)300897790 (DE-600)1483573-3 (DE-576)096188596 0378-3812 nnns volume:511 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_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_2006 GBV_ILN_2008 GBV_ILN_2010 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_2088 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 58.00 Chemische Technik: Allgemeines AR 511
spelling	10.1016/j.fluid.2020.112500 doi (DE-627)ELV003740145 (ELSEVIER)S0378-3812(20)30046-7 DE-627 ger DE-627 rda eng 660 540 DE-600 58.00 bkl Stierle, Rolf verfasserin aut A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Application of classical density functional theory in cylindrical coordinates requires a fast Hankel transform algorithm of order zero and its inverse, when the involved convolution integrals are solved in Fourier space. Vector-valued fundamental measure theory requires a fast Hankel transform of first order and its inverse. Compared to naïve real space convolution, this not only reduces complexity of the required computer code, but also increases computational performance due to the efficiency of the fast Hankel transform. This study proposes a new approach to compute the inverse of the first order fast Hankel transform on equidistant grids as a combination of a modified inverse Abel transform and a fast sine transform. Equidistant grids have a significant advantage over alternative implementations that require logarithmic grid spacing, since most problems, such as pores or droplets, require a certain resolution in the outer region of the radial domain, which in the case of a logarithmic grid necessitates an overly high number of grid points in the inner region of the radial domain. The proposed algorithm for the modified inverse Abel transform is straightforward to implement, while for the fast sine transform off-the-shelf algorithms can be used. Density functional theory Fundamental measure theory PC-SAFT Fast Fourier transform Fast Hankel transform Fast sine transform Fast cosine transform Gross, Joachim verfasserin aut Enthalten in Fluid phase equilibria New York, NY [u.a.] : Science Direct, 1977 511 Online-Ressource (DE-627)300897790 (DE-600)1483573-3 (DE-576)096188596 0378-3812 nnns volume:511 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_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_2006 GBV_ILN_2008 GBV_ILN_2010 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_2088 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 58.00 Chemische Technik: Allgemeines AR 511
allfields_unstemmed	10.1016/j.fluid.2020.112500 doi (DE-627)ELV003740145 (ELSEVIER)S0378-3812(20)30046-7 DE-627 ger DE-627 rda eng 660 540 DE-600 58.00 bkl Stierle, Rolf verfasserin aut A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Application of classical density functional theory in cylindrical coordinates requires a fast Hankel transform algorithm of order zero and its inverse, when the involved convolution integrals are solved in Fourier space. Vector-valued fundamental measure theory requires a fast Hankel transform of first order and its inverse. Compared to naïve real space convolution, this not only reduces complexity of the required computer code, but also increases computational performance due to the efficiency of the fast Hankel transform. This study proposes a new approach to compute the inverse of the first order fast Hankel transform on equidistant grids as a combination of a modified inverse Abel transform and a fast sine transform. Equidistant grids have a significant advantage over alternative implementations that require logarithmic grid spacing, since most problems, such as pores or droplets, require a certain resolution in the outer region of the radial domain, which in the case of a logarithmic grid necessitates an overly high number of grid points in the inner region of the radial domain. The proposed algorithm for the modified inverse Abel transform is straightforward to implement, while for the fast sine transform off-the-shelf algorithms can be used. Density functional theory Fundamental measure theory PC-SAFT Fast Fourier transform Fast Hankel transform Fast sine transform Fast cosine transform Gross, Joachim verfasserin aut Enthalten in Fluid phase equilibria New York, NY [u.a.] : Science Direct, 1977 511 Online-Ressource (DE-627)300897790 (DE-600)1483573-3 (DE-576)096188596 0378-3812 nnns volume:511 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_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_2006 GBV_ILN_2008 GBV_ILN_2010 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_2088 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 58.00 Chemische Technik: Allgemeines AR 511
allfieldsGer	10.1016/j.fluid.2020.112500 doi (DE-627)ELV003740145 (ELSEVIER)S0378-3812(20)30046-7 DE-627 ger DE-627 rda eng 660 540 DE-600 58.00 bkl Stierle, Rolf verfasserin aut A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Application of classical density functional theory in cylindrical coordinates requires a fast Hankel transform algorithm of order zero and its inverse, when the involved convolution integrals are solved in Fourier space. Vector-valued fundamental measure theory requires a fast Hankel transform of first order and its inverse. Compared to naïve real space convolution, this not only reduces complexity of the required computer code, but also increases computational performance due to the efficiency of the fast Hankel transform. This study proposes a new approach to compute the inverse of the first order fast Hankel transform on equidistant grids as a combination of a modified inverse Abel transform and a fast sine transform. Equidistant grids have a significant advantage over alternative implementations that require logarithmic grid spacing, since most problems, such as pores or droplets, require a certain resolution in the outer region of the radial domain, which in the case of a logarithmic grid necessitates an overly high number of grid points in the inner region of the radial domain. The proposed algorithm for the modified inverse Abel transform is straightforward to implement, while for the fast sine transform off-the-shelf algorithms can be used. Density functional theory Fundamental measure theory PC-SAFT Fast Fourier transform Fast Hankel transform Fast sine transform Fast cosine transform Gross, Joachim verfasserin aut Enthalten in Fluid phase equilibria New York, NY [u.a.] : Science Direct, 1977 511 Online-Ressource (DE-627)300897790 (DE-600)1483573-3 (DE-576)096188596 0378-3812 nnns volume:511 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_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_2006 GBV_ILN_2008 GBV_ILN_2010 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_2088 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 58.00 Chemische Technik: Allgemeines AR 511
allfieldsSound	10.1016/j.fluid.2020.112500 doi (DE-627)ELV003740145 (ELSEVIER)S0378-3812(20)30046-7 DE-627 ger DE-627 rda eng 660 540 DE-600 58.00 bkl Stierle, Rolf verfasserin aut A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Application of classical density functional theory in cylindrical coordinates requires a fast Hankel transform algorithm of order zero and its inverse, when the involved convolution integrals are solved in Fourier space. Vector-valued fundamental measure theory requires a fast Hankel transform of first order and its inverse. Compared to naïve real space convolution, this not only reduces complexity of the required computer code, but also increases computational performance due to the efficiency of the fast Hankel transform. This study proposes a new approach to compute the inverse of the first order fast Hankel transform on equidistant grids as a combination of a modified inverse Abel transform and a fast sine transform. Equidistant grids have a significant advantage over alternative implementations that require logarithmic grid spacing, since most problems, such as pores or droplets, require a certain resolution in the outer region of the radial domain, which in the case of a logarithmic grid necessitates an overly high number of grid points in the inner region of the radial domain. The proposed algorithm for the modified inverse Abel transform is straightforward to implement, while for the fast sine transform off-the-shelf algorithms can be used. Density functional theory Fundamental measure theory PC-SAFT Fast Fourier transform Fast Hankel transform Fast sine transform Fast cosine transform Gross, Joachim verfasserin aut Enthalten in Fluid phase equilibria New York, NY [u.a.] : Science Direct, 1977 511 Online-Ressource (DE-627)300897790 (DE-600)1483573-3 (DE-576)096188596 0378-3812 nnns volume:511 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_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_2006 GBV_ILN_2008 GBV_ILN_2010 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_2088 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 58.00 Chemische Technik: Allgemeines AR 511
language	English
source	Enthalten in Fluid phase equilibria 511 volume:511
sourceStr	Enthalten in Fluid phase equilibria 511 volume:511
format_phy_str_mv	Article
bklname	Chemische Technik: Allgemeines
institution	findex.gbv.de
topic_facet	Density functional theory Fundamental measure theory PC-SAFT Fast Fourier transform Fast Hankel transform Fast sine transform Fast cosine transform
dewey-raw	660
isfreeaccess_bool	false
container_title	Fluid phase equilibria
authorswithroles_txt_mv	Stierle, Rolf @@aut@@ Gross, Joachim @@aut@@
publishDateDaySort_date	2020-01-01T00:00:00Z
hierarchy_top_id	300897790
dewey-sort	3660
id	ELV003740145
language_de	englisch
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author	Stierle, Rolf
spellingShingle	Stierle, Rolf ddc 660 bkl 58.00 misc Density functional theory misc Fundamental measure theory misc PC-SAFT misc Fast Fourier transform misc Fast Hankel transform misc Fast sine transform misc Fast cosine transform A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates
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topic_title	660 540 DE-600 58.00 bkl A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates Density functional theory Fundamental measure theory PC-SAFT Fast Fourier transform Fast Hankel transform Fast sine transform Fast cosine transform
topic	ddc 660 bkl 58.00 misc Density functional theory misc Fundamental measure theory misc PC-SAFT misc Fast Fourier transform misc Fast Hankel transform misc Fast sine transform misc Fast cosine transform
topic_unstemmed	ddc 660 bkl 58.00 misc Density functional theory misc Fundamental measure theory misc PC-SAFT misc Fast Fourier transform misc Fast Hankel transform misc Fast sine transform misc Fast cosine transform
topic_browse	ddc 660 bkl 58.00 misc Density functional theory misc Fundamental measure theory misc PC-SAFT misc Fast Fourier transform misc Fast Hankel transform misc Fast sine transform misc Fast cosine transform
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title	A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates
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title_full	A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates
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title_sort	a fast inverse hankel transform of first order for computing vector-valued weight functions appearing in fundamental measure theory in cylindrical coordinates
title_auth	A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates
abstract	Application of classical density functional theory in cylindrical coordinates requires a fast Hankel transform algorithm of order zero and its inverse, when the involved convolution integrals are solved in Fourier space. Vector-valued fundamental measure theory requires a fast Hankel transform of first order and its inverse. Compared to naïve real space convolution, this not only reduces complexity of the required computer code, but also increases computational performance due to the efficiency of the fast Hankel transform. This study proposes a new approach to compute the inverse of the first order fast Hankel transform on equidistant grids as a combination of a modified inverse Abel transform and a fast sine transform. Equidistant grids have a significant advantage over alternative implementations that require logarithmic grid spacing, since most problems, such as pores or droplets, require a certain resolution in the outer region of the radial domain, which in the case of a logarithmic grid necessitates an overly high number of grid points in the inner region of the radial domain. The proposed algorithm for the modified inverse Abel transform is straightforward to implement, while for the fast sine transform off-the-shelf algorithms can be used.
abstractGer	Application of classical density functional theory in cylindrical coordinates requires a fast Hankel transform algorithm of order zero and its inverse, when the involved convolution integrals are solved in Fourier space. Vector-valued fundamental measure theory requires a fast Hankel transform of first order and its inverse. Compared to naïve real space convolution, this not only reduces complexity of the required computer code, but also increases computational performance due to the efficiency of the fast Hankel transform. This study proposes a new approach to compute the inverse of the first order fast Hankel transform on equidistant grids as a combination of a modified inverse Abel transform and a fast sine transform. Equidistant grids have a significant advantage over alternative implementations that require logarithmic grid spacing, since most problems, such as pores or droplets, require a certain resolution in the outer region of the radial domain, which in the case of a logarithmic grid necessitates an overly high number of grid points in the inner region of the radial domain. The proposed algorithm for the modified inverse Abel transform is straightforward to implement, while for the fast sine transform off-the-shelf algorithms can be used.
abstract_unstemmed	Application of classical density functional theory in cylindrical coordinates requires a fast Hankel transform algorithm of order zero and its inverse, when the involved convolution integrals are solved in Fourier space. Vector-valued fundamental measure theory requires a fast Hankel transform of first order and its inverse. Compared to naïve real space convolution, this not only reduces complexity of the required computer code, but also increases computational performance due to the efficiency of the fast Hankel transform. This study proposes a new approach to compute the inverse of the first order fast Hankel transform on equidistant grids as a combination of a modified inverse Abel transform and a fast sine transform. Equidistant grids have a significant advantage over alternative implementations that require logarithmic grid spacing, since most problems, such as pores or droplets, require a certain resolution in the outer region of the radial domain, which in the case of a logarithmic grid necessitates an overly high number of grid points in the inner region of the radial domain. The proposed algorithm for the modified inverse Abel transform is straightforward to implement, while for the fast sine transform off-the-shelf algorithms can be used.
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title_short	A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates
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up_date	2024-07-06T20:38:33.798Z
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A fast inverse Hankel Transform of first Order for computing vector-valued weight Functions appearing in Fundamental Measure Theory in cylindrical Coordinates

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