Coarse-grained models for local density gradients

2021 ◽  
Author(s):  
Michael DeLyser ◽  
Will G Noid
Keyword(s):  
Local Density ◽  
Coarse Grained ◽  
Density Gradients

scholarly journals Partial structure factors derived from coarse-grained phase-separation dynamics on a disordered lattice with density fluctuations

2021 ◽  
Author(s):  
Puwadet Sutipanya ◽  
Takashi Arai
Keyword(s):  
Phase Separation ◽  
Structure Factor ◽  
Lattice Point ◽  
Local Density ◽  
Lattice Points ◽  
Concentration Fluctuations ◽  
Coarse Grained ◽  
Partial Structure ◽  
Disordered Lattice ◽  
Structure Factors

Abstract The simplest and most time-efficient phase-separation dynamics simulations are carried out on a disordered lattice to calculate the partial structure factors of coarse-grained A-B binary mixtures. The typical coarse-grained phase-separation models use regular lattices and can describe the local concentrations but cannot describe both local density and concentration fluctuations. To introduce fluctuation for local density in the model, the particle positions from a hard sphere fluid model are determined as disordered lattice points for the model. Then we place the local order parameter as the difference of the concentrations of A and B components on each lattice point. The concentration at each lattice point is time-evolved by discrete equations derived from the Cahn-Hilliard equation. From both fluctuations, Bhatia and Thornton’s structure factor can be accurately calculated. The structure factor for concentration fluctuations at the large wavenumber region gives us the correct mean concentrations of the components. Using the mean concentrations, partial structure factors can be converted from three of Bhatia and Thornton’s structure factors. The present model and procedures can provide a means of analysing the structural properties of many materials that exhibit complex morphological changes.

Particle packings minimizing density gradients of coarse-grained compacts

2019 ◽  
Vol 39 (10) ◽  
pp. 3264-3276 ◽  
Author(s):  
Jens Fruhstorfer ◽  
Jana Hubálková ◽  
Christos G. Aneziris
Keyword(s):  
Coarse Grained ◽  
Density Gradients ◽  
Particle Packings

scholarly journals The attraction of urban cores: Densification in Dutch city centres

Urban Studies ◽  
2019 ◽  
Vol 57 (9) ◽  
pp. 1920-1939 ◽  
Author(s):  
Dani Broitman ◽  
Eric Koomen
Keyword(s):  
Local Density ◽  
Basic Feature ◽  
Density Gradients ◽  
Transport Costs ◽  
Urban Density ◽  
Urban Economic ◽  
Empirically Supported ◽  
Spatio Temporal ◽  
The Impact ◽  
Dutch Cities

Urban growth is typically considered a process of expansion. As population grows and transport costs decrease urban density gradients are expected to gradually flatten. This is a basic feature of cities, explained by urban economic models and empirically supported by a plethora of studies about urban density development from all over the world. However, additional forces, such as changes in demographic composition and locational preferences of the urban population acting at local levels, may counteract the flattening tendency of urban gradients. In this paper, we suggest a methodology to test the impact of local density changes on urban gradients, looking at spatio-temporal developments in terms of housing and population. Using highly detailed data on individual housing units and inhabitants in major Dutch cities, we first assess and compare urban density gradients during the period 2000–2017. In all the analysed Dutch cities, both dwelling and population density gradients are becoming steeper over time, contradicting standard predictions from urban economic literature and empirical reports worldwide. The observed trend of steepening urban gradients is partly explained by the presence of historical monuments and urban amenities.

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.

On the Origin of the Microscystalline Structure in Rapidly Solidified IN-100 Powder

1977 ◽  
Vol 35 ◽  
pp. 260-261
Author(s):  
J. M. Walsh ◽  
K. P. Gumz ◽  
J. C. Whittles ◽  
B. H. Kear
Keyword(s):  
The Other ◽  
Coarse Grained ◽  
Microcrystalline Structure ◽  
Routine Examination ◽  
Atomization Process ◽  
Centrifugal Atomization ◽  
Splat Quenching ◽  
Powder Particles ◽  
Dendritic Microstructures ◽  
Rapidly Solidified

During a routine examination of the microstructure of rapidly solidified IN-100 powder, produced by a newly-developed centrifugal atomization process1, essentially two distinct types of microstructure were identified. When a high melt superheat is maintained during atomization, the powder particles are predominantly coarse-grained, equiaxed or columnar, with distinctly dendritic microstructures, Figs, la and 4a. On the other hand, when the melt superheat is reduced by increasing the heat flow to the disc of the rotary atomizer, the powder particles are predominantly microcrystalline in character, with typically one dendrite per grain, Figs, lb and 4b. In what follows, evidence is presented that strongly supports the view that the unusual microcrystalline structure has its origin in dendrite erosion occurring in a 'mushy zone' of dynamic solidification on the disc of the rotary atomizer.The critical observations were made on atomized material that had undergone 'splat-quenching' on previously solidified, chilled substrate particles.

Ab initio band theory approach to electron energy loss near edge structures

1988 ◽  
Vol 46 ◽  
pp. 506-507
Author(s):  
Xudong Weng ◽  
O.F. Sankey ◽  
Peter Rez
Keyword(s):  
Ab Initio ◽  
Local Density ◽  
Interpolation Method ◽  
Atomic Orbital ◽  
Plane Waves ◽  
Large Set ◽  
Theory Approach ◽  
Band Theory ◽  
Atomic Orbitals ◽  
Pseudopotential Calculations

Single electron band structure techniques have been applied successfully to the interpretation of the near edge structures of metals and other materials. Among various band theories, the linear combination of atomic orbital (LCAO) method is especially simple and interpretable. The commonly used empirical LCAO method is mainly an interpolation method, where the energies and wave functions of atomic orbitals are adjusted in order to fit experimental or more accurately determined electron states. To achieve better accuracy, the size of calculation has to be expanded, for example, to include excited states and more-distant-neighboring atoms. This tends to sacrifice the simplicity and interpretability of the method.In this paper. we adopt an ab initio scheme which incorporates the conceptual advantage of the LCAO method with the accuracy of ab initio pseudopotential calculations. The so called pscudo-atomic-orbitals (PAO's), computed from a free atom within the local-density approximation and the pseudopotential approximation, are used as the basis of expansion, replacing the usually very large set of plane waves in the conventional pseudopotential method. These PAO's however, do not consist of a rigorously complete set of orthonormal states.

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