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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.
The Martini Model in Materials Science - Wiley Online Library
onlinelibrary.wiley.com/doi/full/10.1002/adma.202008635 Private View
The Martini model, a coarse-grained force field initially developed with biomolecular simulations in mind, has found an increasing number of applications in the field of soft materials science. The model's underlying building block principle does not pose restrictions on its application beyond biomolecular systems.
The Martini model, a coarse-grained force field initially developed with biomolecular simulations in mind, has found an increasing number of applications in the field of soft materials science. The model's underlying building block principle does not pose restrictions on its application beyond biomolecular systems.
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...
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).
Understanding dynamics in coarse-grained models. II. Coarse-grained ...
pubs.aip.org/.../034104/2871086/Understanding-dynamics-in-coarse-grained-models-II Private View
Understanding dynamics in coarse-grained models. II. Coarse-grained diffusion modeled using hard sphere theory | The Journal of Chemical Physics | AIP Publishing. Volume 158, Issue 3. 21 January 2023. Research Article | January 17 2023. Understanding dynamics in coarse-grained models. II. Coarse-grained diffusion modeled using hard sphere theory.
Understanding dynamics in coarse-grained models. II. Coarse-grained diffusion modeled using hard sphere theory | The Journal of Chemical Physics | AIP Publishing. Volume 158, Issue 3. 21 January 2023. Research Article | January 17 2023. Understanding dynamics in coarse-grained models. II. Coarse-grained diffusion modeled using hard sphere theory.
Understanding dynamics in coarse-grained models. I. Universal excess ...
pubs.aip.org/aip/jcp/article/158/3/034103/2871106 Private View
Coarse-grained (CG) models facilitate an efficient exploration of complex systems by reducing the unnecessary degrees of freedom of the fine-grained (FG) system while recapitulating major structural correlations.
Coarse-grained (CG) models facilitate an efficient exploration of complex systems by reducing the unnecessary degrees of freedom of the fine-grained (FG) system while recapitulating major structural correlations.
Coarse-grained modeling - Wikipedia
en.wikipedia.org/wiki/Coarse-grained_modeling Private View
Coarse-grained models are widely used for molecular modeling of biomolecules [1] [2] at various granularity levels. A wide range of coarse-grained models have been proposed. They are usually dedicated to computational modeling of specific molecules: proteins, [1] [2] nucleic acids, [3] [4] lipid membranes, [2] [5] carbohydrates [6] or water. [7] .
Coarse-grained models are widely used for molecular modeling of biomolecules [1] [2] at various granularity levels. A wide range of coarse-grained models have been proposed. They are usually dedicated to computational modeling of specific molecules: proteins, [1] [2] nucleic acids, [3] [4] lipid membranes, [2] [5] carbohydrates [6] or water. [7] .
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Experimental investigation and prediction model of permeability in ...
www.sciencedirect.com/science/article/pii/S2214391223001083 Private View
Transportation Geotechnics. Volume 41, July 2023, 101035. Experimental investigation and prediction model of permeability in solidified coarse-grained soil under freeze-thaw cycles in water-rich environments. Author links open overlay panel. Ke Wang a b. , Liang Tang a b. , Shuang Tian a b. , XianZhang Ling a b. , Degou Cai c. , Min Liu a b.
Transportation Geotechnics. Volume 41, July 2023, 101035. Experimental investigation and prediction model of permeability in solidified coarse-grained soil under freeze-thaw cycles in water-rich environments. Author links open overlay panel. Ke Wang a b. , Liang Tang a b. , Shuang Tian a b. , XianZhang Ling a b. , Degou Cai c. , Min Liu a b.
Ultrasonic signal enhancement for coarse grain materials by machine ...
www.sciencedirect.com/science/article/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.
Simulations of Coarse-Grained Materials - NRC
www.nrc.gov/docs/ML2024/ML20241A106.pdf Private View
ML20122A252. Reports are freely available from https://adams.nrc.gov/wba/ Approach. Generate realistic models of austenitic welds and coarse-grain materials, including crystalline orientations (Euler angles). Evaluate beam simulations in CIVA, and compare results to empirical beam maps.
ML20122A252. Reports are freely available from https://adams.nrc.gov/wba/ Approach. Generate realistic models of austenitic welds and coarse-grain materials, including crystalline orientations (Euler angles). Evaluate beam simulations in CIVA, and compare results to empirical beam maps.
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.
Coarse-Grained Protein Models and Their Applications
pubs.acs.org/doi/10.1021/acs.chemrev.6b00163 Private View
Many useful applications of coarse-grained protein models have been described in the past few years. (19-32) Coarse-grained models have been successfully used in studying protein folding mechanisms based on either very generalized protein-like models or simulations of real proteins (see section 4.2 ).
Many useful applications of coarse-grained protein models have been described in the past few years. (19-32) Coarse-grained models have been successfully used in studying protein folding mechanisms based on either very generalized protein-like models or simulations of real proteins (see section 4.2 ).
COARSE-GRAINED definition | Cambridge English Dictionary
dictionary.cambridge.org/us/dictionary/english/coarse-grained Private View
us / ˈkɔːrs.ɡreɪnd / uk / ˈkɔːs.ɡreɪnd / coarse-grained adjective (ROUGH) Add to word list. Coarse-grained rock, soil, paper, material, etc. is rough, or has pieces in it that are larger than usual: This kind of sugar is coarse-grained, but works well in the recipe. Peridotite is a coarse-grained, igneous rock. Linen is a coarse-grained fabric.
us / ˈkɔːrs.ɡreɪnd / uk / ˈkɔːs.ɡreɪnd / coarse-grained adjective (ROUGH) Add to word list. Coarse-grained rock, soil, paper, material, etc. is rough, or has pieces in it that are larger than usual: This kind of sugar is coarse-grained, but works well in the recipe. Peridotite is a coarse-grained, igneous rock. Linen is a coarse-grained fabric.
Granularity: Coarse-Grained vs. Fine-Grained - Baeldung
www.baeldung.com/cs/granularity-coarse-grained-vs-fine-grained Private View
Coarse Granularity. We can see coarse-grained entities as a small collection of components (or even a monolithic entity) executing high-level operations or representing complex elements. But, granularity is a dynamic concept: the scenario defines which is coarse-grained.
Coarse Granularity. We can see coarse-grained entities as a small collection of components (or even a monolithic entity) executing high-level operations or representing complex elements. But, granularity is a dynamic concept: the scenario defines which is coarse-grained.
(PDF) The Scale Effect of Coarse-Grained Materials by ... - ResearchGate
www.researchgate.net/publication/348600272_The_Scale_Effect_of_Coarse-Grained... Private View
The Scale Effect of Coarse-Grained Materials by Triaxial Test Simulation. January 2021. Advances in Civil Engineering 2021 (1):1-13. DOI: 10.1155/2021/6665531. License. CC BY 4.0. Authors:...
The Scale Effect of Coarse-Grained Materials by Triaxial Test Simulation. January 2021. Advances in Civil Engineering 2021 (1):1-13. DOI: 10.1155/2021/6665531. License. CC BY 4.0. Authors:...
A state-dependent bounding surface model of coarse-grained materials ...
www.sciencedirect.com/science/article/pii/S0266352X2400123X Private View
The consolidated drained (CD) test results that Meng (2020) reported for different initial GSDs of rockfill materials are presented in Fig. 2.The figure reveals a negative relationship between φ cs of the rockfill material and the p c.The main reason for this phenomenon is that as p c increases, particle breakage becomes more pronounced. On the one hand, particle breakage results in the ...
The consolidated drained (CD) test results that Meng (2020) reported for different initial GSDs of rockfill materials are presented in Fig. 2.The figure reveals a negative relationship between φ cs of the rockfill material and the p c.The main reason for this phenomenon is that as p c increases, particle breakage becomes more pronounced. On the one hand, particle breakage results in the ...