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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 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.
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 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...
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-graining strategies for predicting properties of ... - Springer
link.springer.com/article/10.1557/s43578-021-00332-0 Private View
Journal of Materials Research. Article. Coarse-graining strategies for predicting properties of closely related polymer architectures: A case study of PEEK and PEKK. Article. Annual Issue: Early Career Scholars in Materials Science 2022. Open access. Published: 25 October 2021. Volume 37 , pages 1–12, ( 2022 ) Cite this article. Download PDF.
Journal of Materials Research. Article. Coarse-graining strategies for predicting properties of closely related polymer architectures: A case study of PEEK and PEKK. Article. Annual Issue: Early Career Scholars in Materials Science 2022. Open access. Published: 25 October 2021. Volume 37 , pages 1–12, ( 2022 ) Cite this article. Download PDF.
Coarse‐grained methods for polymeric materials: enthalpy‐ and entropy ...
wires.onlinelibrary.wiley.com/doi/10.1002/wcms.1149 Private View
Because of the large conformational space that needs to be sampled when simulating polymers, coarse-grained (CG) models are commonly used and depending on which part of the system free energy (enthalpy, entropy, or both) is relevant for the properties of interest, the appropriate modeling techniques should be used.
Because of the large conformational space that needs to be sampled when simulating polymers, coarse-grained (CG) models are commonly used and depending on which part of the system free energy (enthalpy, entropy, or both) is relevant for the properties of interest, the appropriate modeling techniques should be used.
Coarse-grained Dynamics Simulation in Polymer Systems: from ... - Springer
link.springer.com/content/pdf/10.1007/s40242-022-2080-3.pdf?pdf=inline link Private View
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.
Martini 3: a general purpose force field for coarse-grained molecular ...
www.nature.com/articles/s41592-021-01098-3 Private View
The coarse-grained Martini force field is widely used in biomolecular simulations. Here we present the refined model, Martini 3 ( http://cgmartini.nl ), with an improved interaction...
The coarse-grained Martini force field is widely used in biomolecular simulations. Here we present the refined model, Martini 3 ( http://cgmartini.nl ), with an improved interaction...
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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 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.
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.
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).
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].
Coarse Grained Simulation and Turbulent Material Mixing
link.springer.com/chapter/10.1007/978-3-319-41217-7_21 Private View
1 Introduction. Turbulent mixing modeling and predictability rely on availability of big data generated in computational and laboratory experiments. Research challenges involve developing effective strategies for data generation, characterization, and analysis—as well as data curation, storage, mining, sharing, transfer, and visualization.
1 Introduction. Turbulent mixing modeling and predictability rely on availability of big data generated in computational and laboratory experiments. Research challenges involve developing effective strategies for data generation, characterization, and analysis—as well as data curation, storage, mining, sharing, transfer, and visualization.
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).
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.
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.
Compressibility of some Coarse-Grained Materials
www.semanticscholar.org/paper/Compressibility-of-some-Coarse-Grained-Materials... Private View
Particle-Crushing Characteristics and Acoustic-Emission Patterns of Crushing Gangue Backfilling Material under Cyclic Loading. In solid backfilling coal mining (SBCM), the crushed gangue backfilling material (CGBM) is generally compacted circularly by a compaction machine in order to reduce its compressibility.
Particle-Crushing Characteristics and Acoustic-Emission Patterns of Crushing Gangue Backfilling Material under Cyclic Loading. In solid backfilling coal mining (SBCM), the crushed gangue backfilling material (CGBM) is generally compacted circularly by a compaction machine in order to reduce its compressibility.