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Granularity - Wikipedia
en.wikipedia.org/wiki/Granularity Private View
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 comparing systems or descriptions of systems.
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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 comparing systems or descriptions of systems.
Approaches and Perspective of Coarse-Grained Modeling and Simulation ...
pubs.acs.org/doi/10.1021/acsomega.2c06248 Private View
Hybrid materials, Nanocomposites, Nanoparticles, Polymers, Thermodynamic modeling. Abstract. Molecular modeling and simulations have emerged as effective and indispensable tools to characterize polymeric systems.
Hybrid materials, Nanocomposites, Nanoparticles, Polymers, Thermodynamic modeling. Abstract. Molecular modeling and simulations have emerged as effective and indispensable tools to characterize polymeric systems.
Uncertainty driven active learning of coarse grained free ... - Nature
www.nature.com/articles/s41524-023-01183-5 Private View
Coarse graining techniques play an essential role in accelerating molecular simulations of systems with large length and time scales. Theoretically grounded bottom-up models are appealing due...
Coarse graining techniques play an essential role in accelerating molecular simulations of systems with large length and time scales. Theoretically grounded bottom-up models are appealing due...
Coarse‐grained molecular dynamics simulation of polymers: Structures ...
wires.onlinelibrary.wiley.com/doi/10.1002/wcms.1683?af=R Private View
For the simulations of polymeric systems, coarse-grained (CG) molecular dynamics simulations are computationally demanding not only because of their high computational efficiency, but also these CG models can provide sufficient structural and dynamical properties at both micro- and meso-scopic levels.
For the simulations of polymeric systems, coarse-grained (CG) molecular dynamics simulations are computationally demanding not only because of their high computational efficiency, but also these CG models can provide sufficient structural and dynamical properties at both micro- and meso-scopic levels.
Mesoscopic and multiscale modelling in materials - Nature
www.nature.com/articles/s41563-020-00913-0 Private View
While providing a link between fine and coarse scales using tools of statistical mechanics may be trivial for homogeneous materials and simple properties, the undertaking becomes challenging...
While providing a link between fine and coarse scales using tools of statistical mechanics may be trivial for homogeneous materials and simple properties, the undertaking becomes challenging...
A machine learning enabled hybrid optimization framework for ... - Nature
www.nature.com/articles/s41524-022-00914-4 Private View
Coarse-graining allows the combining of groups of atoms into fewer interaction sites, thus, reducing the degrees of freedom in the system. In addition, the accurate representation requires...
Coarse-graining allows the combining of groups of atoms into fewer interaction sites, thus, reducing the degrees of freedom in the system. In addition, the accurate representation requires...
Coarse Grained Model - an overview | ScienceDirect Topics
www.sciencedirect.com/topics/materials-science/coarse-grained-model Private View
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, molecular dynamics because o...
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, molecular dynamics because o...
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.
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.
Coarse-Grained Simulation | SpringerLink
link.springer.com/chapter/10.1007/978-981-10-0815-3_2 Private View
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.
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.
Coarse-grained Dynamics Simulation in Polymer Systems: from ... - Springer
link.springer.com/article/10.1007/s40242-022-2080-3 Private View
This review summarizes the coarse-grained models and methods in the dynamic simulations for polymers and their composite systems based on graphics processing unit (GPU) algorithms, and discusses the characteristics, applications, and advantages of different simulation methods.
This review summarizes the coarse-grained models and methods in the dynamic simulations for polymers and their composite systems based on graphics processing unit (GPU) algorithms, and discusses the characteristics, applications, and advantages of different simulation methods.
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Enhancing Coarse-Grained Models through Machine Learning
pubs.acs.org/doi/10.1021/acs.jcim.4c00537 Private View
Over the years, a plethora of CG methods have been developed and applied to simulate systems from simple fluids to complex nanobiomaterials. (1−8) The CG methods can be categorized chiefly into two types; (i) the first one is based on mapping all-atoms (AA) to CG beads descriptions and constructing effective potential models that describe intera...
Over the years, a plethora of CG methods have been developed and applied to simulate systems from simple fluids to complex nanobiomaterials. (1−8) The CG methods can be categorized chiefly into two types; (i) the first one is based on mapping all-atoms (AA) to CG beads descriptions and constructing effective potential models that describe intera...
A state-dependent bounding surface model of coarse-grained materials ...
www.sciencedirect.com/science/article/pii/S0266352X2400123X Private View
A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution - ScienceDirect. Computers and Geotechnics. Volume 169, May 2024, 106187. Research Paper. A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution.
A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution - ScienceDirect. Computers and Geotechnics. Volume 169, May 2024, 106187. Research Paper. A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution.
Rapid discovery of stable materials by coordinate-free coarse graining ...
www.science.org/doi/10.1126/sciadv.abn4117 Private View
Rapid discovery of stable materials by coordinate-free coarse graining. Rhys E. A. Goodall, Abhijith S. Parackal. , Felix A. Faber, Rickard Armiento, and Alpha A. Lee Authors Info & Affiliations. Science Advances. 27 Jul 2022. Vol 8, Issue 30. DOI: 10.1126/sciadv.abn4117. Abstract.
Rapid discovery of stable materials by coordinate-free coarse graining. Rhys E. A. Goodall, Abhijith S. Parackal. , Felix A. Faber, Rickard Armiento, and Alpha A. Lee Authors Info & Affiliations. Science Advances. 27 Jul 2022. Vol 8, Issue 30. DOI: 10.1126/sciadv.abn4117. Abstract.
Ultrasonic signal enhancement for coarse grain materials by machine ...
www.sciencedirect.com/science/article/abs/pii/S0041624X21001773 Private View
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].
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].
Ultrafine-Grained Materials | SpringerLink
link.springer.com/chapter/10.1007/978-3-030-80359-9_17 Private View
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 ...
BIOVIA MATERIALS STUDIO MESOCITE - Dassault Systèmes
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BIOVIA Materials Studio Mesocite is a state-of-the-art coarse-grained simulation module for the study of materials at length scales ranging from nanometers to micrometers and time scale from nanoseconds to microseconds. Such materials pervade industrial research in areas such as composites, coatings, cosmetics and controlled release.
BIOVIA Materials Studio Mesocite is a state-of-the-art coarse-grained simulation module for the study of materials at length scales ranging from nanometers to micrometers and time scale from nanoseconds to microseconds. Such materials pervade industrial research in areas such as composites, coatings, cosmetics and controlled release.
Evaluation of Essential Dynamics and Fixed-Length Coarse Graining for ...
pubs.acs.org/doi/10.1021/acs.jpcb.3c08198 Private View
For multiscale modeling of biomolecules, reliable coarse-grained (CG) models can offer great potential to simulate larger temporal and spatial scales than traditional all-atom (AA) models. In this study, we explore the essential dynamics coarse graining (EDCG) and fixed-length coarse graining (FLCG) approaches for constructing highly coarse-grained models for multidomain proteins (MDPs), with ...
For multiscale modeling of biomolecules, reliable coarse-grained (CG) models can offer great potential to simulate larger temporal and spatial scales than traditional all-atom (AA) models. In this study, we explore the essential dynamics coarse graining (EDCG) and fixed-length coarse graining (FLCG) approaches for constructing highly coarse-grained models for multidomain proteins (MDPs), with ...
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.
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.
PolySMart: a general coarse-grained molecular dynamics polymerization ...
pubs.rsc.org/en/content/articlelanding/2023/mh/d3mh00088e Private View
PolySMart: a general coarse-grained molecular dynamics polymerization scheme. Search articles by author. 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.
PolySMart: a general coarse-grained molecular dynamics polymerization scheme. Search articles by author. 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.
Mechanical Modeling of Frozen Coarse-Grained Materials ... - Hindawi
www.hindawi.com/journals/amse/2021/6639428 Private View
Coarse-grained materials are often encountered or used as backfill. It is important to understand the mechanical features of frozen coarse-grained materials when they are used in cold regions. Frozen soil is a special kind of geotechnical material, which is composed of ice inclusions, mineral particles, gaseous inclusions, and liquid water [ 2 ].
Coarse-grained materials are often encountered or used as backfill. It is important to understand the mechanical features of frozen coarse-grained materials when they are used in cold regions. Frozen soil is a special kind of geotechnical material, which is composed of ice inclusions, mineral particles, gaseous inclusions, and liquid water [ 2 ].