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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
Below, we briefly describe these essential steps required for bottom-up CG modeling and discuss how they are related to the aforementioned challenges. 2-1. Coarse-Grained Mapping. The process of applying a CG mapping reduces the high-dimensional atomistic phase space to a low-dimensional CG phase space.
Below, we briefly describe these essential steps required for bottom-up CG modeling and discuss how they are related to the aforementioned challenges. 2-1. Coarse-Grained Mapping. The process of applying a CG mapping reduces the high-dimensional atomistic phase space to a low-dimensional CG phase space.
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.
Experimental investigation and prediction model of permeability in ...
www.sciencedirect.com/science/article/pii/S2214391223001083 Private View
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. Show more. Add to Mendeley. Share.
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. Show more. Add to Mendeley. Share.
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...
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 Mixing
www.cambridge.org/core/books/coarse-grained-simulation-and-turbulent-mixing/23... Private View
In coarse grained simulation (CGS), large energy-containing structures are resolved, smaller structures are spatially filtered out, and unresolved subgrid scale ... 4 - Material Conservation of Passive Scalar Mixing in Finite Scale Navier Stokes Fluid Turbulence pp 87-104. By J. Raymond Ristorcelli;
In coarse grained simulation (CGS), large energy-containing structures are resolved, smaller structures are spatially filtered out, and unresolved subgrid scale ... 4 - Material Conservation of Passive Scalar Mixing in Finite Scale Navier Stokes Fluid Turbulence pp 87-104. By J. Raymond Ristorcelli;
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] .
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 - Materials Horizons (RSC Publishing) Issue 6, 2023. Previous Article. Next Article. From the journal: Materials Horizons. PolySMart: a general coarse-grained molecular dynamics polymerization scheme †.
PolySMart: a general coarse-grained molecular dynamics polymerization scheme - Materials Horizons (RSC Publishing) Issue 6, 2023. Previous Article. Next Article. From the journal: Materials Horizons. PolySMart: a general coarse-grained molecular dynamics polymerization scheme †.
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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.
Coarse Grained Simulation and Turbulent Material Mixing
link.springer.com/chapter/10.1007/978-3-319-41217-7_21 Private View
1 Citations. Abstract. Accurate predictions with quantifiable uncertainty are essential to many practical turbulent flow applications in engineering, geophysics, and astrophysics exhibiting extreme geometrical complexity and broad ranges of length and time scales.
1 Citations. Abstract. Accurate predictions with quantifiable uncertainty are essential to many practical turbulent flow applications in engineering, geophysics, and astrophysics exhibiting extreme geometrical complexity and broad ranges of length and time scales.
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
www.researchgate.net/publication/307522749_Coarse_Grained_Simulation_and... Private View
Coarse Grained Simulation and Turbulent Material Mixing. January 2017. DOI: 10.1007/978-3-319-41217-7_21. In book: Whither Turbulence and Big Data in the 21st Century? (pp.401-420) Authors:...
Coarse Grained Simulation and Turbulent Material Mixing. January 2017. DOI: 10.1007/978-3-319-41217-7_21. In book: Whither Turbulence and Big Data in the 21st Century? (pp.401-420) Authors:...
Ultrafine-Grained Materials | SpringerLink
link.springer.com/chapter/10.1007/978-3-030-80359-9_17 Private View
1 Citations. Abstract. This chapter discusses about emerging advanced materials: ultrafine grain materials. The concept of this material has been discussed with respect to the grain size and grain boundary behavior toward the low- and high-temperature processing.
1 Citations. Abstract. This chapter discusses about emerging advanced materials: ultrafine grain materials. The concept of this material has been discussed with respect to the grain size and grain boundary behavior toward the low- and high-temperature processing.
Reactive Molecular Dynamics with Material-Specific Coarse-Grained ...
pubs.acs.org/doi/10.1021/jp107001e Private View
Living polymerization, Monomers, Polymerization, Polymers. Abstract. We have developed a reactive molecular dynamics (RMD) scheme to simulate irreversible polymerization of realistic polymer systems in a coarse-grained resolution. We have studied the chain propagation of styrene to polystyrene.
Living polymerization, Monomers, Polymerization, Polymers. Abstract. We have developed a reactive molecular dynamics (RMD) scheme to simulate irreversible polymerization of realistic polymer systems in a coarse-grained resolution. We have studied the chain propagation of styrene to polystyrene.
Simulations of Coarse-Grained Materials - NRC
www.nrc.gov/docs/ML2024/ML20241A106.pdf Private View
ML18331A254. 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.
ML18331A254. 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.
Materials | Free Full-Text | Experimental Study on the ... - MDPI
www.mdpi.com/1996-1944/14/22/6972 Private View
Experimental Study on the Compaction Characteristics and Evaluation Method of Coarse-Grained Materials for Subgrade. by. Shanzhen Li. 1, Yangsheng Ye. 2, Liang Tang. 1,*, Degou Cai. 2, Shuang Tian. 1 and. Xianzhang Ling. 2. 1. School of Civil Engineering, Harbin Institute of Technology, Harbin 150090, China. 2.
Experimental Study on the Compaction Characteristics and Evaluation Method of Coarse-Grained Materials for Subgrade. by. Shanzhen Li. 1, Yangsheng Ye. 2, Liang Tang. 1,*, Degou Cai. 2, Shuang Tian. 1 and. Xianzhang Ling. 2. 1. School of Civil Engineering, Harbin Institute of Technology, Harbin 150090, China. 2.
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
In conclusion, according to Chinese specifications “Code for Design of Railway Earth Structure (TB10001-2016)” [29], the subgrade CGMs of the high railway base layer are referred to as Breccia soil, Group A1, which belongs to Filler group A. Table 1 lists the basic properties of the investigated coarse-grained material.
In conclusion, according to Chinese specifications “Code for Design of Railway Earth Structure (TB10001-2016)” [29], the subgrade CGMs of the high railway base layer are referred to as Breccia soil, Group A1, which belongs to Filler group A. Table 1 lists the basic properties of the investigated coarse-grained material.