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Granularity - Wikipedia
en.wikipedia.org/wiki/Granularity Private View
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 ...
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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 ...
pubs.acs.org/doi/10.1021/acsomega.2c06248 Private View
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 ...
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 ...
Bottom-up Coarse-Graining: Principles and Perspectives
pubs.acs.org/doi/10.1021/acs.jctc.2c00643 Private View
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.
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 Model - an overview | ScienceDirect Topics
www.sciencedirect.com/topics/materials-science/coarse-grained-model Private View
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 ...
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 ...
Coarse-graining auto-encoders for molecular dynamics | npj ...
www.nature.com/articles/s41524-019-0261-5 Private View
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 ...
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 ...
Coarse-Grained Modeling of Ion-Containing Polymers
pubs.acs.org/doi/10.1021/acs.chemrev.1c00913 Private View
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 ...
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 ...
Coarse-grained Dynamics Simulation in Polymer Systems: from ... - Springer
link.springer.com/article/10.1007/s40242-022-2080-3 Private View
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.
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.
Martini 3: a general purpose force field for coarse-grained molecular ...
www.nature.com/articles/s41592-021-01098-3 Private View
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.
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.
Modeling the mechanical behavior of coarse-grained soil ... - Springer
link.springer.com/article/10.1007/s11440-020-01007-6 Private View
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 ...
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 ...
A state-dependent bounding surface model of coarse-grained materials ...
www.sciencedirect.com/science/article/pii/S0266352X2400123X Private View
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.
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.
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Mesoscopic and multiscale modelling in materials - Nature
www.nature.com/articles/s41563-020-00913-0 Private View
Upscaling methods, which link discrete scales (electronic structure, atomistic, coarse-grained atomistic), continuum scales (material constituents and component scales) or combinations of the two ...
Upscaling methods, which link discrete scales (electronic structure, atomistic, coarse-grained atomistic), continuum scales (material constituents and component scales) or combinations of the two ...
Coarse-graining strategies for predicting properties of ... - Springer
link.springer.com/article/10.1557/s43578-021-00332-0 Private View
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 ...
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 ...
Differences Between Coarse-Grained and Fine-Grained Soil
theconstructor.org/geotechnical/coarse-fine-grained-soil/26299 Private View
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.
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.
COARSE-GRAINED definition | Cambridge English Dictionary
dictionary.cambridge.org/us/dictionary/english/coarse-grained Private View
COARSE-GRAINED meaning: 1. Coarse-grained rock, soil, paper, material, etc. is rough, or has pieces in it that are larger…. Learn more.
COARSE-GRAINED meaning: 1. Coarse-grained rock, soil, paper, material, etc. is rough, or has pieces in it that are larger…. Learn more.
Constitutive Modeling of Coarse-Grained Materials Incorporating the ...
ascelibrary.org/doi/10.1061/(ASCE)GM.1943-5622.0000759 Private View
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-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 ...
Simulations of Coarse-Grained Materials - NRC
www.nrc.gov/docs/ML2024/ML20241A106.pdf Private View
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.
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.
Gaussian representation of coarse-grained interactions of liquids ...
par.nsf.gov/biblio/10508664-gaussian-representation-coarse-grained... Private View
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.
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.
Introduction: Coarse-Graining in Molecular Modeling and Simulation ...
pubs.acs.org/doi/10.1021/ct600124a Private View
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 ...
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 ...
Effects of coarse-grained material on hydraulic properties and shear ...
www.sciencedirect.com/science/article/pii/S0013795208001257 Private View
The top soil (TS) used in this research was brown in colour and consisted of clayey soil, organic matter (compost), and sand on a volume basis ratio of 3:2:1, respectively (Fig. 2 (a)).The granite chips (GC), which had an angular particle shape (Fig. 2 (b)), was grey in colour and was originally from the Bukit Timah Granite Formation.After some trial mixes, Indrawan et al. (2006) showed that ...
The top soil (TS) used in this research was brown in colour and consisted of clayey soil, organic matter (compost), and sand on a volume basis ratio of 3:2:1, respectively (Fig. 2 (a)).The granite chips (GC), which had an angular particle shape (Fig. 2 (b)), was grey in colour and was originally from the Bukit Timah Granite Formation.After some trial mixes, Indrawan et al. (2006) showed that ...
Detection and Separation of Close Flaws in Coarse-Grained Materials ...
link.springer.com/article/10.1007/s10921-022-00900-2 Private View
In coarse-grained materials, the ultrasonic signatures of the structural noise and possible defects have the same frequency bandwidth so that the structural noise can be modeled in the object to be reconstructed. Thus, the tuning of the hyperparameters is critical and directly determines the intensity level below which the signals are ...
In coarse-grained materials, the ultrasonic signatures of the structural noise and possible defects have the same frequency bandwidth so that the structural noise can be modeled in the object to be reconstructed. Thus, the tuning of the hyperparameters is critical and directly determines the intensity level below which the signals are ...