Monomer Adsorption on Terraces and Nanotubes.
We construct a nonsparse transfer matrix (T-matrix) for a lattice gas model of monomers adsorbed on planar and nanotube surfaces of arbitrary geometry. The model can accommodate any number of higher-order pairwise adsorbateadsorbate interactions. The technique is sufficiently general for application...
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2007
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Monomer Adsorption on Terraces and Nanotubes. Phares, Alain J. Grumbine Jr, David W. Wunderlich, Francis J. We construct a nonsparse transfer matrix (T-matrix) for a lattice gas model of monomers adsorbed on planar and nanotube surfaces of arbitrary geometry. The model can accommodate any number of higher-order pairwise adsorbateadsorbate interactions. The technique is sufficiently general for application to nonequivalent adsorption sites and coadsorption of two or more monomer species. The T-matrices for monomer adsorption on a finite width terrace and for monomer adsorption on a nanotube, both of the same lattice geometry, share a basic G-matrix. First, the G-matrix is diagrammatically and recursively constructed. Then, its elements are modified to provide the T-matrix elements for either the terrace or the nanotube. The T-matrices for several particular lattice geometries previously studied as special cases are easily recovered with the generalized technique presented here. This generalization also provides a vectorized algorithm for efficient use on multi-parallel processors and supercomputers. 2007-09-22 Villanova Faculty Authorship vudl:179442 Langmuir, 2007, Volume 23, page 558-573 en |
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Monomer Adsorption on Terraces and Nanotubes. |
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Phares, Alain J. Grumbine Jr, David W. Wunderlich, Francis J. |
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We construct a nonsparse transfer matrix (T-matrix) for a lattice gas model of monomers adsorbed on planar and
nanotube surfaces of arbitrary geometry. The model can accommodate any number of higher-order pairwise adsorbateadsorbate
interactions. The technique is sufficiently general for application to nonequivalent adsorption sites and
coadsorption of two or more monomer species. The T-matrices for monomer adsorption on a finite width terrace and
for monomer adsorption on a nanotube, both of the same lattice geometry, share a basic G-matrix. First, the G-matrix
is diagrammatically and recursively constructed. Then, its elements are modified to provide the T-matrix elements
for either the terrace or the nanotube. The T-matrices for several particular lattice geometries previously studied as
special cases are easily recovered with the generalized technique presented here. This generalization also provides
a vectorized algorithm for efficient use on multi-parallel processors and supercomputers. |
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2007-09-22 |
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Villanova Faculty Authorship |
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vudl:179442 |
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Langmuir, 2007, Volume 23, page 558-573 |
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en |
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Phares, Alain J. Grumbine Jr, David W. Wunderlich, Francis J. |
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Phares, Alain J. Grumbine Jr, David W. Wunderlich, Francis J. Monomer Adsorption on Terraces and Nanotubes. |
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Phares, Alain J. Grumbine Jr, David W. Wunderlich, Francis J. |
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Langmuir, 2007, Volume 23, page 558-573 |
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Villanova Faculty Authorship |
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Phares, Alain J. |
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2007-09-22 |
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Monomer Adsorption on Terraces and Nanotubes. |
| description |
We construct a nonsparse transfer matrix (T-matrix) for a lattice gas model of monomers adsorbed on planar and
nanotube surfaces of arbitrary geometry. The model can accommodate any number of higher-order pairwise adsorbateadsorbate
interactions. The technique is sufficiently general for application to nonequivalent adsorption sites and
coadsorption of two or more monomer species. The T-matrices for monomer adsorption on a finite width terrace and
for monomer adsorption on a nanotube, both of the same lattice geometry, share a basic G-matrix. First, the G-matrix
is diagrammatically and recursively constructed. Then, its elements are modified to provide the T-matrix elements
for either the terrace or the nanotube. The T-matrices for several particular lattice geometries previously studied as
special cases are easily recovered with the generalized technique presented here. This generalization also provides
a vectorized algorithm for efficient use on multi-parallel processors and supercomputers. |
| title |
Monomer Adsorption on Terraces and Nanotubes. |
| title_full |
Monomer Adsorption on Terraces and Nanotubes. |
| title_fullStr |
Monomer Adsorption on Terraces and Nanotubes. |
| title_full_unstemmed |
Monomer Adsorption on Terraces and Nanotubes. |
| title_short |
Monomer Adsorption on Terraces and Nanotubes. |
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monomer adsorption on terraces and nanotubes. |
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2007 |
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2007-09-22T00:00:00Z |
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English |
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monomer adsorption on terraces and nanotubes. |
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