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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 significant computational cost by speeding up the ...
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 significant computational cost by speeding up the ...
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 ...
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 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 ...
PolySMart: a general coarse-grained molecular dynamics polymerization ...
pubs.rsc.org/en/content/articlelanding/2023/mh/d3mh00088e Private View
The development of simulation methods to study the structure and dynamics of a macroscopically sized piece of polymer material is important as such methods can elucidate structure–property relationships. Several methods have been reported to construct initial structures for homo- and co-polymers; however, mo ... at a coarse-grained resolution ...
The development of simulation methods to study the structure and dynamics of a macroscopically sized piece of polymer material is important as such methods can elucidate structure–property relationships. Several methods have been reported to construct initial structures for homo- and co-polymers; however, mo ... at a coarse-grained resolution ...
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.
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 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.
Coarse-Grained Simulation | SpringerLink
link.springer.com/chapter/10.1007/978-981-10-0815-3_2 Private View
Abstract. Coarse-grained simulation is necessary to study hierarchical structures and various properties of polymeric materials. However, it is not trivial for a user to choose a suitable coarse-grained model for their simulation. This chapter introduces the concept of coarse-grained simulation of polymers.
Abstract. Coarse-grained simulation is necessary to study hierarchical structures and various properties of polymeric materials. However, it is not trivial for a user to choose a suitable coarse-grained model for their simulation. This chapter introduces the concept of coarse-grained simulation of polymers.
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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-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 ...
Experimental investigation of the particle breakage of coarse-grained ...
www.sciencedirect.com/science/article/pii/S2214391223000272 Private View
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.
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.
Coarse-grained simulations of ionic liquid materials: from monomeric ...
pubs.rsc.org/en/content/articlelanding/2021/cp/d1cp02662c Private View
Ionic liquid (IL) materials are promising electrolytes with striking physicochemical properties for energy and environmental applications. Heterogeneous structures and transport quantities of monomeric and polymeric ILs are intrinsically intercorrelated and span multiple spatiotemporal scales, which is more feasible for coarse-grained (CG) simulations than atomistic modelling.
Ionic liquid (IL) materials are promising electrolytes with striking physicochemical properties for energy and environmental applications. Heterogeneous structures and transport quantities of monomeric and polymeric ILs are intrinsically intercorrelated and span multiple spatiotemporal scales, which is more feasible for coarse-grained (CG) simulations than atomistic modelling.
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 ...
(PDF) Geotechnical Characterisation of Coarse-Grained ... - ResearchGate
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Coarse-grained materials in engineering projects can . contain pa rticle sizes greater th an 175 mm. Approaches . for evaluating the shear strength and behaviour of coarse-
Coarse-grained materials in engineering projects can . contain pa rticle sizes greater th an 175 mm. Approaches . for evaluating the shear strength and behaviour of coarse-
Mechanical Modeling of Frozen Coarse-Grained Materials ... - Hindawi
www.hindawi.com/journals/amse/2021/6639428 Private View
In the cold regions of China, coarse-grained materials are frequently encountered or used as backfilling materials in infrastructure construction, such as dams, highways, railways, and mineral engineering structures. Effects of confining pressure (0.2, 0.5, and 1 MPa) and frozen temperature (−2, −5, −10, and −15°C) on the stress-strain response and elastic modulus were ...
In the cold regions of China, coarse-grained materials are frequently encountered or used as backfilling materials in infrastructure construction, such as dams, highways, railways, and mineral engineering structures. Effects of confining pressure (0.2, 0.5, and 1 MPa) and frozen temperature (−2, −5, −10, and −15°C) on the stress-strain response and elastic modulus were ...
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.
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 ...
Experimental investigation and prediction model of permeability in ...
www.sciencedirect.com/science/article/pii/S2214391223001083 Private View
Coarse-grained soil is the primary material used as filler for high-speed railway subgrades [41].The composition, shape, gradation, and pore characteristics of these soils have a significant impact on their permeability [1], [23], [33], [13], [42], [43], [40], [39], [17].Fine particle content is a key factor influencing the permeability of coarse-grained soils with high permeability [16], [33 ...
Coarse-grained soil is the primary material used as filler for high-speed railway subgrades [41].The composition, shape, gradation, and pore characteristics of these soils have a significant impact on their permeability [1], [23], [33], [13], [42], [43], [40], [39], [17].Fine particle content is a key factor influencing the permeability of coarse-grained soils with high permeability [16], [33 ...