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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 ...
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 ...
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 ...
Ultrafine-Grained Materials | SpringerLink
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The common grain size of the metals in the industry is >10 μm and are called coarse-grained materials [ 16 ]. Fine-grained metals that are processed using industrial thermomechanical processing have a grain size of ∼1–10 μm. It is hard to achieve a metal with grain size <1 μm (called ultrafine grained) or <100 nm (called nanograined ...
The common grain size of the metals in the industry is >10 μm and are called coarse-grained materials [ 16 ]. Fine-grained metals that are processed using industrial thermomechanical processing have a grain size of ∼1–10 μm. It is hard to achieve a metal with grain size <1 μm (called ultrafine grained) or <100 nm (called nanograined ...
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 ...
Uncertainty driven active learning of coarse grained free ... - Nature
www.nature.com/articles/s41524-023-01183-5 Private View
Top-down coarse grained force fields are well established with widespread use across different applications 3,4,12,13,14,15,16,17,18,20,21, while the development of bottom-up coarse grained models ...
Top-down coarse grained force fields are well established with widespread use across different applications 3,4,12,13,14,15,16,17,18,20,21, while the development of bottom-up coarse grained models ...
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.
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.
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 ...
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 ...
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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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.
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 molecular dynamics simulation of polymers: Structures ...
wires.onlinelibrary.wiley.com/doi/10.1002/wcms.1683?af=R Private View
State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun, China. ... For the simulations of polymeric systems, coarse-grained (CG) molecular dynamics simulations are computationally demanding not only because of their high computational efficiency, but ...
State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun, China. ... For the simulations of polymeric systems, coarse-grained (CG) molecular dynamics simulations are computationally demanding not only because of their high computational efficiency, but ...
Energy renormalization for coarse-graining polymers having ... - Science
www.science.org/doi/10.1126/sciadv.aav4683 Private View
Polymer glass-forming (GF) materials exhibit complex dynamic and mechanical properties that strongly depend on temperature due to the glass transition (), and assessing these properties using all-atomistic (AA) molecular dynamics (MD) simulations is inherently challenging because of their limitations of accessing extended time and length scales.. Multiscale modeling, such as coarse-grained (CG ...
Polymer glass-forming (GF) materials exhibit complex dynamic and mechanical properties that strongly depend on temperature due to the glass transition (), and assessing these properties using all-atomistic (AA) molecular dynamics (MD) simulations is inherently challenging because of their limitations of accessing extended time and length scales.. Multiscale modeling, such as coarse-grained (CG ...
Ultrasonic signal enhancement for coarse grain materials by machine ...
www.sciencedirect.com/science/article/pii/S0041624X21001773 Private View
1. Introduction. It is well-recognized that the coarse grained materials, such as austenitic stainless steel, present high attenuation and scattering of ultrasonic wave due to the presence of lots of grain boundaries inside this kind of materials [1].When a coarse-grained material is detected by ultrasonic testing (UT), flaw echoes will probably be submerged in noise background resulting from ...
1. Introduction. It is well-recognized that the coarse grained materials, such as austenitic stainless steel, present high attenuation and scattering of ultrasonic wave due to the presence of lots of grain boundaries inside this kind of materials [1].When a coarse-grained material is detected by ultrasonic testing (UT), flaw echoes will probably be submerged in noise background resulting from ...
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 ...
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 ...
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 ...
WHAT ARE THE DIFFERENCES BETWEEN COARSE GRAINED & FINE GRAINED SOIL ...
civilblog.org/2014/02/10/what-are-the-differences-between-coarse-grained-soil... Private View
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 ...
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 ...