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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 ...
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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 ...
Energy renormalization for coarse-graining polymers having ... - Science
www.science.org/doi/10.1126/sciadv.aav4683 Private View
To address this fundamental problem, we recently proposed a coarse-graining strategy, called the energy renormalization (ER) method, aiming to preserve the dynamics of polymers over a wide temperature range and thereby effectively address the temperature transferability issue in CG modeling.This approach borrows ideas from the Adam-Gibbs (AG) theory and the generalized entropy theory (GET) of ...
To address this fundamental problem, we recently proposed a coarse-graining strategy, called the energy renormalization (ER) method, aiming to preserve the dynamics of polymers over a wide temperature range and thereby effectively address the temperature transferability issue in CG modeling.This approach borrows ideas from the Adam-Gibbs (AG) theory and the generalized entropy theory (GET) of ...
Bottom-up Coarse-Graining: Principles and Perspectives - ACS Publications
pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00643 Private View
driving the properties of real world materials and complex systems (e.g., those found in biology, chemistry, and materials science). As a ... such as moving from an atomistic simulation to that of the resolution of large coarse-grained (CG) groups of atoms, can partially ameliorate the cost of individual simulations, the relationship between ...
driving the properties of real world materials and complex systems (e.g., those found in biology, chemistry, and materials science). As a ... such as moving from an atomistic simulation to that of the resolution of large coarse-grained (CG) groups of atoms, can partially ameliorate the cost of individual simulations, the relationship between ...
A machine learning enabled hybrid optimization framework for ... - Nature
www.nature.com/articles/s41524-022-00914-4 Private View
This work presents a framework governing the development of an efficient, accurate, and transferable coarse-grained (CG) model of a polyether material. The framework combines bottom-up and top ...
This work presents a framework governing the development of an efficient, accurate, and transferable coarse-grained (CG) model of a polyether material. The framework combines bottom-up and top ...
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
1 Coarse-Graining of Polymers. As described in Chap. 1, in simulation of polymeric materials, various length and time scales need to be handled because of the hierarchical structure of polymers and diversity of properties of polymeric materials. This would be simple if full atomistic simulation could be used to handle huge length and time scales.
1 Coarse-Graining of Polymers. As described in Chap. 1, in simulation of polymeric materials, various length and time scales need to be handled because of the hierarchical structure of polymers and diversity of properties of polymeric materials. This would be simple if full atomistic simulation could be used to handle huge length and time scales.
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 ...
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 ...
Ultrasonic signal enhancement for coarse grain materials by machine ...
www.sciencedirect.com/science/article/abs/pii/S0041624X21001773 Private View
When a coarse-grained material is detected by ultrasonic testing (UT), flaw echoes will probably be submerged in noise background resulting from grain scattering of ultrasonic, that is, grain noise. Since the amplitude of scattering noise can be comparable to the defect echoes, it makes defect detection for such materials difficult by evaluating ultrasonic time domain amplitude.
When a coarse-grained material is detected by ultrasonic testing (UT), flaw echoes will probably be submerged in noise background resulting from grain scattering of ultrasonic, that is, grain noise. Since the amplitude of scattering noise can be comparable to the defect echoes, it makes defect detection for such materials difficult by evaluating ultrasonic time domain amplitude.
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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 ...
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.
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 ...
Dynamic behavior of coarse-grained materials with different fines ...
www.sciencedirect.com/science/article/pii/S0165232X19300151 Private View
Three types coarse-grained materials (CGMs) are widely used as base course materials (i.e., Groups A, B, and C) due to their excellent mechanical properties and easy exploitation for high-speed railway in China (China Railway Third Survey and Design Institute Group and China Railway Fourth Survey and Design Institute Group, 2014).
Three types coarse-grained materials (CGMs) are widely used as base course materials (i.e., Groups A, B, and C) due to their excellent mechanical properties and easy exploitation for high-speed railway in China (China Railway Third Survey and Design Institute Group and China Railway Fourth Survey and Design Institute Group, 2014).
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.
(PDF) Geotechnical Characterisation of Coarse-Grained ... - ResearchGate
www.researchgate.net/publication/322653197_Geotechnical_Characterisation_of... Private View
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-
Reactive Molecular Dynamics with Material-Specific Coarse-Grained ...
pubs.acs.org/doi/10.1021/jp107001e Private View
We have developed a reactive molecular dynamics (RMD) scheme to simulate irreversible polymerization of realistic polymer systems in a coarse-grained resolution. We have studied the chain propagation of styrene to polystyrene. For monodisperse polystyrene samples, we reproduce the results of equilibrium MD simulations: density, end-to-end distance, radius of gyration, and different geometrical ...
We have developed a reactive molecular dynamics (RMD) scheme to simulate irreversible polymerization of realistic polymer systems in a coarse-grained resolution. We have studied the chain propagation of styrene to polystyrene. For monodisperse polystyrene samples, we reproduce the results of equilibrium MD simulations: density, end-to-end distance, radius of gyration, and different geometrical ...
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 ...
Constitutive Modeling of Coarse-Grained Materials Incorporating the ...
www.semanticscholar.org/paper/Constitutive-Modeling-of-Coarse-Grained... Private View
AbstractCoarse-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 the critical state concept. The effect of ...
AbstractCoarse-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 the critical state concept. The effect of ...