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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.
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.
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.
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.
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).
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...
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...
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
Specifically, coarse-grained dynamics simulation is one of the most effective methods in many subfields of the polymer research[11—17]. Herein we summarize recent progresses mostly based on the computational simulation results from our group, together with some other representative works.
Specifically, coarse-grained dynamics simulation is one of the most effective methods in many subfields of the polymer research[11—17]. Herein we summarize recent progresses mostly based on the computational simulation results from our group, together with some other representative works.
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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.
Energy renormalization for coarse-graining polymers having ... - Science
www.science.org/doi/10.1126/sciadv.aav4683 Private View
Multiscale coarse-grained (CG) modeling of soft materials, such as polymers, is currently an art form because CG models normally have significantly altered dynamics and thermodynamic properties compared to their atomistic counterparts.
Multiscale coarse-grained (CG) modeling of soft materials, such as polymers, is currently an art form because CG models normally have significantly altered dynamics and thermodynamic properties compared to their atomistic counterparts.
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.
Analysis of the geomechanical characterization of coarse ... - SciELO
www.scielo.cl/pdf/oyp/n27/0718-2813-oyp-27-0050.pdf Private View
The size-scaling in the geotechnical characterization of coarse granular materials is a key topic, not only in early level engineering projects (i.e.conceptual and pre-feasibility), but also under advanced level projects (i.e.feasibility and detailed engineering).
The size-scaling in the geotechnical characterization of coarse granular materials is a key topic, not only in early level engineering projects (i.e.conceptual and pre-feasibility), but also under advanced level projects (i.e.feasibility and detailed engineering).
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.
Microstructures of conventional coarse grained material R1 (a ...
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Coarse grained R1 (Fig. 3 a) and fine grained R2 (Fig. 3 b) have homogeneous coarse and fine grained structure respectively. Reactive sintering (E1) yields even finer hardmetal structure (Fig....
Coarse grained R1 (Fig. 3 a) and fine grained R2 (Fig. 3 b) have homogeneous coarse and fine grained structure respectively. Reactive sintering (E1) yields even finer hardmetal structure (Fig....
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.
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 ].
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 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.