scholarly journals Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential

Soft Matter ◽  
2019 ◽  
Vol 15 (40) ◽  
pp. 8147-8155
Author(s):  
B. J. Sutherland ◽  
S. W. Olesen ◽  
H. Kusumaatmaja ◽  
J. W. R. Morgan ◽  
D. J. Wales
Keyword(s):  
Morphological Analysis ◽  
Single Site ◽  
Coarse Grained ◽  
Single Site Potential ◽  
Chiral Potential

We present a compuationally efficient single-site potential for modelling chiral particles.

scholarly journals Integral equation analysis of single-site coarse-grained models for polymer–colloid mixtures

2015 ◽  
Vol 113 (17-18) ◽  
pp. 2629-2642 ◽  
Author(s):  
Roberto Menichetti ◽  
Giuseppe D’Adamo ◽  
Andrea Pelissetto ◽  
Carlo Pierleoni
Keyword(s):  
Integral Equation ◽  
Single Site ◽  
Coarse Grained ◽  
Equation Analysis ◽  
Polymer Colloid

scholarly journals Wegner estimate and localization for alloy-type models with sign-changing exponentially decaying single-site potentials

2015 ◽  
Vol 27 (04) ◽  
pp. 1550007 ◽  
Author(s):  
Karsten Leonhardt ◽  
Norbert Peyerimhoff ◽  
Martin Tautenhahn ◽  
Ivan Veselić
Keyword(s):  
Multiscale Analysis ◽  
Step Function ◽  
Single Site ◽  
Energy Interval ◽  
Wegner Estimate ◽  
Alloy Type ◽  
Fixed Sign ◽  
Wegner Estimates ◽  
Single Site Potential ◽  
The Continuum

We study Schrödinger operators on L2(ℝd) and ℓ2(ℤd) with a random potential of alloy-type. The single-site potential is assumed to be exponentially decaying but not necessarily of fixed sign. In the continuum setting, we require a generalized step-function shape. Wegner estimates are bounds on the average number of eigenvalues in an energy interval of finite box restrictions of these types of operators. In the described situation, a Wegner estimate, which is polynomial in the volume of the box and linear in the size of the energy interval, holds. We apply the established Wegner estimate as an ingredient for a localization proof via multiscale analysis.

scholarly journals SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide

2011 ◽  
Vol 115 (38) ◽  
pp. 11154-11169 ◽  
Author(s):  
Carlos Avendaño ◽  
Thomas Lafitte ◽  
Amparo Galindo ◽  
Claire S. Adjiman ◽  
George Jackson ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Force Field ◽  
Single Site ◽  
Coarse Grained ◽  
Molecular Fluids ◽  
Coarse Grained Model

SAFT-γ force field for the simulation of molecular fluids: 4. A single-site coarse-grained model of water applicable over a wide temperature range

2015 ◽  
Vol 113 (9-10) ◽  
pp. 1228-1249 ◽  
Author(s):  
Olga Lobanova ◽  
Carlos Avendaño ◽  
Thomas Lafitte ◽  
Erich A. Müller ◽  
George Jackson
Keyword(s):  
Force Field ◽  
Wide Temperature Range ◽  
Single Site ◽  
Coarse Grained ◽  
Molecular Fluids ◽  
Temperature Range ◽  
Coarse Grained Model

The Alteration of the Pore Spaces in Sandstones

1973 ◽  
Vol 31 ◽  
pp. 210-211
Author(s):  
R. E. Ferrell ◽  
G. G. Paulson
Keyword(s):  
Electron Microscope ◽  
Scanning Electron Microscope ◽  
The Other ◽  
Coarse Grained ◽  
Depositional Fabric ◽  
Soluble Components ◽  
Scanning Electron ◽  
Shape And Size

The pore spaces in sandstones are the result of the original depositional fabric and the degree of post-depositional alteration that the rock has experienced. The largest pore volumes are present in coarse-grained, well-sorted materials with high sphericity. The chief mechanisms which alter the shape and size of the pores are precipitation of cementing agents and the dissolution of soluble components. Each process may operate alone or in combination with the other, or there may be several generations of cementation and solution.The scanning electron microscope has ‘been used in this study to reveal the morphology of the pore spaces in a variety of moderate porosity, orthoquartzites.

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