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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.
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.
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).
Mesoscopic and multiscale modelling in materials - Nature
www.nature.com/articles/s41563-020-00913-0 Private View
162 Citations. 12 Altmetric. Metrics. Abstract. The concept of multiscale modelling has emerged over the last few decades to describe procedures that seek to simulate continuum-scale behaviour...
162 Citations. 12 Altmetric. Metrics. Abstract. The concept of multiscale modelling has emerged over the last few decades to describe procedures that seek to simulate continuum-scale behaviour...
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.
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.
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 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 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.
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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 ...
Modeling the mechanical behavior of coarse-grained soil ... - Springer
link.springer.com/article/10.1007/s11440-020-01007-6 Private View
Modeling the mechanical behavior of coarse-grained soil using additive manufactured particle analogs. Research Paper. Published: 28 June 2020. Volume 15 , pages 2829–2847, ( 2020 ) Cite this article. Download PDF. Sheikh Sharif Ahmed & Alejandro Martinez. 848 Accesses. 7 Citations. 3 Altmetric. Explore all metrics. Abstract.
Modeling the mechanical behavior of coarse-grained soil using additive manufactured particle analogs. Research Paper. Published: 28 June 2020. Volume 15 , pages 2829–2847, ( 2020 ) Cite this article. Download PDF. Sheikh Sharif Ahmed & Alejandro Martinez. 848 Accesses. 7 Citations. 3 Altmetric. Explore all metrics. Abstract.
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 modeling - Wikipedia
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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] .
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 ].
Peridynamic Model for Single-Layer Graphene Obtained from Coarse ...
link.springer.com/article/10.1007/s42102-021-00075-w Private View
Huaiqian You & Müge Fermen-Coker. 261 Accesses. 6 Citations. Explore all metrics. Abstract. An ordinary state-based peridynamic material model is proposed for single-sheet graphene. The model is calibrated using coarse-grained molecular dynamics simulations.
Huaiqian You & Müge Fermen-Coker. 261 Accesses. 6 Citations. Explore all metrics. Abstract. An ordinary state-based peridynamic material model is proposed for single-sheet graphene. The model is calibrated using coarse-grained molecular dynamics simulations.
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...
(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:...
The Scale Effect of Coarse-Grained Materials by Triaxial Test ... - Hindawi
www.hindawi.com/journals/ace/2021/6665531 Private View
Because of good engineering properties, coarse-grained materials are widely used as the primary filling materials for railway ballasts, reservoirs, and dams and are also the main bulk geotechnical material piled up in the dumps of open-pit mines.
Because of good engineering properties, coarse-grained materials are widely used as the primary filling materials for railway ballasts, reservoirs, and dams and are also the main bulk geotechnical material piled up in the dumps of open-pit mines.
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.