Granularity - Wikipedia

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Precision and ambiguity. Coarse-grained materials or systems have fewer, larger discrete components than fine-grained materials or systems.. A coarse-grained description of a system regards large subcomponents.; A fine-grained description regards smaller components of which the larger ones are composed.; The concepts granularity, coarseness, and fineness are relative; and are used when ...
Approaches and Perspective of Coarse-Grained Modeling and Simulation ...
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In CG-MD, one or more monomers/units of the hybrid materials are represented as a coarse-grained bead capable of reproducing parts of the polymer architecture. This leads to the loss of fine-grained atomic details of the system, which are crucial for studying properties and interactions of atom-level structures, but concurrently saves a ...
Differences Between Coarse-Grained and Fine-Grained Soil
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Coarse-grained soils have 50% or less material passing the No. 200 sieve. Fine-grained soils have 50% or more material passing the No. 200 sieve. Engineering properties such as strength and compressibility of coarse-grained soil are governed by the grain-size of the particles and their structural arrangement.
A state-dependent bounding surface model of coarse-grained materials ...
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It should be noted that the GSD of coarse-grained materials is always changed with particle breakage. This phenomenon is unavoidable for rockfill materials when the consolidation pressure reaches 1.5 MPa, as mentioned in section 3.1. Once crushing, granular material behaviors would be dominated by not only initial GSD but also GSD evolution.
Coarse Grained Model - an overview | ScienceDirect Topics
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Coarse-grained models. Coarse-grained models are aimed at building simplified representations of complex systems that allow keeping the main chemical/physical peculiarities (such as the interplay between hydrophilic and hydrophobic effects) and performing affordable and meaningful simulations, which could not be feasible with, for example ...
Bottom-up Coarse-Graining: Principles and Perspectives
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Below, we briefly describe these essential steps required for bottom-up CG modeling and discuss how they are related to the aforementioned challenges. 2-1. Coarse-Grained Mapping. The process of applying a CG mapping reduces the high-dimensional atomistic phase space to a low-dimensional CG phase space.
Coarse-Grained Modeling of Ion-Containing Polymers
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Coarse-grained modeling provides an efficient approach for exploring the structural and dynamical properties of these soft materials. The unique physicochemical properties of such polymers are of broad interest. In this review, we summarize the current development and understanding of the structure–property relationship of ion-containing ...
Martini 3: a general purpose force field for coarse-grained molecular ...
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Martini 3.0 is an updated and reparametrized force field for coarse-grained molecular dynamics simulations with new bead types and an expanded ability to model molecular packing and interactions.
Coarse-grained Dynamics Simulation in Polymer Systems: from ... - Springer
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Based on recent studies in our group, the main progress of coarse-grained simulation methods in studying the structure, properties and physical mechanism of polymer materials is reviewed. It is anticipated to provide a reference for further development of coarse-grained simulation methods and software suitable for polymer research.
WHAT ARE THE DIFFERENCES BETWEEN COARSE GRAINED & FINE GRAINED SOIL ...
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Soil in an engineering sense is a relatively loose agglomerate of mineral and organic materials and sediments found above bedrock. Texturally the soil is divided into two primary groups. Coarse grained soil; Fine grained soil; The behavior of coarse grained soil is different from fine grained soil. The method of describing coarse grained soil ...
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Mesoscopic and multiscale modelling in materials - Nature
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Upscaling methods, which link discrete scales (electronic structure, atomistic, coarse-grained atomistic), continuum scales (material constituents and component scales) or combinations of the two ...
Gaussian representation of coarse-grained interactions of liquids ...
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Low resolution coarse-grained (CG) models provide remarkable com- putational and conceptual advantages for simulating soft materials. In principle, bottom-up CG models can reproduce all structural and thermodynamic properties of atomically detailed models that can be observed at the resolution of the CG model.
Constitutive Modeling of Coarse-Grained Materials Incorporating the ...
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Coarse-grained materials (CGMs), including gravel, ballast, and rockfill material, exhibit a complicated stress-strain-volume change behavior, which is state dependent and influenced by considerable particle breakage even under relatively low pressure. A generalized plasticity model with a multiaxial formulation is developed for CGMs based on ...
Coarse-graining auto-encoders for molecular dynamics | npj ...
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Coarse-grained (CG) molecular modeling has been used extensively to simulate complex molecular processes with lower computational cost than all-atom simulations. 1,2 By compressing the full ...
Experimental investigation of the particle breakage of coarse-grained ...
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Particle breakage is commonly observed in coarse-grained materials (CGMs) when subjected to external loads. In this study, the evolution of the particle size distribution of CGMs was systematically investigated by conducting a series of impact loading tests with respect to different influencing factors: initial grading, water content, and compaction coefficient.
Introduction: Coarse-Graining in Molecular Modeling and Simulation ...
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The impetus for coarse-grained molecular modeling and simulation primarily derives from the need to bridge the atomistic and mesoscopic scales. Typically speaking, there are 2−3 orders-of-magnitude in length and time separating these scales. ... the behavior of real biomolecular and materials systems. Coarse-graining promises to be a large ...
Simulations of Coarse-Grained Materials - NRC
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Approach. Generate realistic models of austenitic welds and coarse-grain materials, including crystalline orientations (Euler angles). Evaluate beam simulations in CIVA, and compare results to empirical beam maps. Compare the beam simulations from realistic specimen models to those from simple structural models that are included with CIVA.
Coarse-graining strategies for predicting properties of ... - Springer
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The ability of atomistic and coarse-grained models to discern between two polymers of very similar architecture is examined. To this end, polyether ether ketone (PEEK) and polyether ketone ketone (PEKK) are chosen. The difference in glass transition temperature and the similarity in compressive responses of the two polymers are captured by all-atom models. A coarse-graining scheme, with 6 ...
COARSE-GRAINED definition | Cambridge English Dictionary
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COARSE-GRAINED meaning: 1. Coarse-grained rock, soil, paper, material, etc. is rough, or has pieces in it that are larger…. Learn more.
Modeling the mechanical behavior of coarse-grained soil ... - Springer
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Systematic investigation of the effects of individual particle properties, such as shape, size, surface roughness, and constituent materials stiffness, on the behavior of coarse-grained soils requires careful control over the other particle properties. Achieving this control is a pervasive challenge in investigations with naturally occurring soils. The rapid advance of modern additive ...