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Granularity - Wikipedia
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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.
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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
To circumvent this problem, a variety of coarse-grained (CG) models have been proposed, ranging from the generic CG models for qualitative properties predictions to more realistic chemically specific CG models for quantitative properties predictions.
To circumvent this problem, a variety of coarse-grained (CG) models have been proposed, ranging from the generic CG models for qualitative properties predictions to more realistic chemically specific CG models for quantitative properties predictions.
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.
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...
Coarse Grained Model - an overview | ScienceDirect Topics
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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...
A machine learning enabled hybrid optimization framework for ... - Nature
www.nature.com/articles/s41524-022-00914-4 Private View
10 Citations. 2 Altmetric. Metrics. An Author Correction to this article was published on 20 November 2023. This article has been updated. Abstract. This work presents a framework governing the...
10 Citations. 2 Altmetric. Metrics. An Author Correction to this article was published on 20 November 2023. This article has been updated. Abstract. This work presents a framework governing the...
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.
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 Dynamics Simulation in Polymer Systems: from ... - Springer
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Among them, coarse-grained dynamics simulations provide a powerful tool for studying the self-assembly structure and dynamic behavior of polymers, such as glass transition and entanglement dynamics.
Among them, coarse-grained dynamics simulations provide a powerful tool for studying the self-assembly structure and dynamic behavior of polymers, such as glass transition and entanglement dynamics.
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...
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Coarse‐grained approach to amorphous and anisotropic materials in ...
onlinelibrary.wiley.com/doi/10.1002/ppap.202100179 Private View
Citations: 1. Sections. PDF. Tools. Share. Abstract. The growth of TiO 2 and ZnO thin films is studied by means of coarse-grained kinetic Monte Carlo simulations under conditions typically encountered in plasma-enhanced chemical vapor deposition experiments.
Citations: 1. Sections. PDF. Tools. Share. Abstract. The growth of TiO 2 and ZnO thin films is studied by means of coarse-grained kinetic Monte Carlo simulations under conditions typically encountered in plasma-enhanced chemical vapor deposition experiments.
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.
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.
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].
Bottom-up Coarse-Graining: Principles and Perspectives - ACS Publications
pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00643 Private View
of MD simulation techniques, coarse-grained (CG) modeling and simulation are particularly attractive for the study of systems with hierarchical length and time scales such as biomolecular systems8−14 (including UNRES,15−18 OPEP,13,19 PRIMO,20 SIRAH,21,22 MARTINI,23−27 MS-CG,28−34 and REM35−41).
of MD simulation techniques, coarse-grained (CG) modeling and simulation are particularly attractive for the study of systems with hierarchical length and time scales such as biomolecular systems8−14 (including UNRES,15−18 OPEP,13,19 PRIMO,20 SIRAH,21,22 MARTINI,23−27 MS-CG,28−34 and REM35−41).
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.
Detection and Separation of Close Flaws in Coarse-Grained Materials ...
link.springer.com/article/10.1007/s10921-022-00900-2 Private View
Detection and Separation of Close Flaws in Coarse-Grained Materials Using Ultrasonic Image Deconvolution. Published: 28 September 2022. Volume 41, article number 66, ( 2022 ) Cite this article. Download PDF. Nans Laroche, Ewen Carcreff, Sébastien Bourguignon, Jérôme Idier, Aroune Duclos & Pierre-Emile Lhuillier. 356 Accesses. 1 Citation.
Detection and Separation of Close Flaws in Coarse-Grained Materials Using Ultrasonic Image Deconvolution. Published: 28 September 2022. Volume 41, article number 66, ( 2022 ) Cite this article. Download PDF. Nans Laroche, Ewen Carcreff, Sébastien Bourguignon, Jérôme Idier, Aroune Duclos & Pierre-Emile Lhuillier. 356 Accesses. 1 Citation.
Mechanical Modeling of Frozen Coarse-Grained Materials ... - Hindawi
www.hindawi.com/journals/amse/2021/6639428 Private View
The coarse-grained material specimens exhibited strain-softening and significant dilatancy behaviors during shearing. A modified model considering microstructures of the material was proposed to describe these phenomena. The predicted values coincided well with the experimental results obtained in this study and other literatures.
The coarse-grained material specimens exhibited strain-softening and significant dilatancy behaviors during shearing. A modified model considering microstructures of the material was proposed to describe these phenomena. The predicted values coincided well with the experimental results obtained in this study and other literatures.
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.
Bottom-up Coarse-Graining: Principles and Perspectives
pubs.acs.org/doi/10.1021/acs.jctc.2c00643 Private View
Bottom-up Coarse-Graining: Principles and Perspectives. Jaehyeok Jin. , Alexander J. Pak. , Aleksander E. P. Durumeric. , Timothy D. Loose. , and. Gregory A. Voth* Cite this: J. Chem. Theory Comput. 2022, 18, 10, 5759–5791. Publication Date: September 7, 2022. https://doi.org/10.1021/acs.jctc.2c00643. Copyright © 2022 The Authors.
Bottom-up Coarse-Graining: Principles and Perspectives. Jaehyeok Jin. , Alexander J. Pak. , Aleksander E. P. Durumeric. , Timothy D. Loose. , and. Gregory A. Voth* Cite this: J. Chem. Theory Comput. 2022, 18, 10, 5759–5791. Publication Date: September 7, 2022. https://doi.org/10.1021/acs.jctc.2c00643. Copyright © 2022 The Authors.